smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[N@@H+](C)CCN(CC)C(=O)C1(C[NH+](C)C)CC1 ZINC001635757780 1166618077 /nfs/dbraw/zinc/61/80/77/1166618077.db2.gz LOGKPYHRRYRPIP-UHFFFAOYSA-N 2 0 267.417 1.295 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001570780759 1167585991 /nfs/dbraw/zinc/58/59/91/1167585991.db2.gz BTXOIOHPXXOJFJ-HUUCEWRRSA-N 2 0 279.428 1.034 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001565825969 1168174485 /nfs/dbraw/zinc/17/44/85/1168174485.db2.gz CJZASCMPSXWRFJ-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001566131952 1168243935 /nfs/dbraw/zinc/24/39/35/1168243935.db2.gz SVYFQIIPFXRRDS-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@@H+](C)CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001566492504 1168308607 /nfs/dbraw/zinc/30/86/07/1168308607.db2.gz JVCPDHYODAZYRS-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001567350035 1168696063 /nfs/dbraw/zinc/69/60/63/1168696063.db2.gz BTSJTFUTQXYVSD-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001567409768 1168741888 /nfs/dbraw/zinc/74/18/88/1168741888.db2.gz OPHPRMATTUDTII-OAHLLOKOSA-N 2 0 295.471 1.979 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001266438705 894894351 /nfs/dbraw/zinc/89/43/51/894894351.db2.gz DAPXNRQZVIFGOO-HUUCEWRRSA-N 2 0 279.428 1.080 10 30 CDEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001266493665 895051047 /nfs/dbraw/zinc/05/10/47/895051047.db2.gz AXHVUMACNLRZJU-XHSDSOJGSA-N 2 0 293.455 1.968 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266560834 895360384 /nfs/dbraw/zinc/36/03/84/895360384.db2.gz YYIWCSZTZBIGGI-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001266562585 895372683 /nfs/dbraw/zinc/37/26/83/895372683.db2.gz HKADQLQZEZCHER-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001496560552 895434571 /nfs/dbraw/zinc/43/45/71/895434571.db2.gz FAAUOMXJEAFTMG-HOTGVXAUSA-N 2 0 291.439 1.082 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001266793114 896056923 /nfs/dbraw/zinc/05/69/23/896056923.db2.gz HCUHOMUXRKYOKK-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266857248 896207882 /nfs/dbraw/zinc/20/78/82/896207882.db2.gz KUWADFXNSBRLGK-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001266865378 896232700 /nfs/dbraw/zinc/23/27/00/896232700.db2.gz UCBJKUSEGJBELI-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001267058816 896654363 /nfs/dbraw/zinc/65/43/63/896654363.db2.gz WHAZBWZKUKSGRN-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001480984190 898428572 /nfs/dbraw/zinc/42/85/72/898428572.db2.gz DDJFRKDMXRLBMF-UHFFFAOYSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267597331 898659229 /nfs/dbraw/zinc/65/92/29/898659229.db2.gz VOHFYHTXMXBXEU-MRXNPFEDSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001481112770 898883906 /nfs/dbraw/zinc/88/39/06/898883906.db2.gz RZWDBDNNGGYATK-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001267955511 900061948 /nfs/dbraw/zinc/06/19/48/900061948.db2.gz XCJSZTLDHCYJSB-CVEARBPZSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267989087 900204772 /nfs/dbraw/zinc/20/47/72/900204772.db2.gz FPMXINSLGQWPRT-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001481363792 900496264 /nfs/dbraw/zinc/49/62/64/900496264.db2.gz VBPBTFJSFNQSJD-JKSUJKDBSA-N 2 0 285.391 1.161 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001567742835 1168945030 /nfs/dbraw/zinc/94/50/30/1168945030.db2.gz VIYBOQJUCXGNOE-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH2+]C[C@](C)(NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001481943994 902385602 /nfs/dbraw/zinc/38/56/02/902385602.db2.gz NNIJQVQYCRBKSJ-KRWDZBQOSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001482009786 902463312 /nfs/dbraw/zinc/46/33/12/902463312.db2.gz JTXBQAWKPKSJBL-UHFFFAOYSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001268731969 903051614 /nfs/dbraw/zinc/05/16/14/903051614.db2.gz DSKDSYHSNHVMGF-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCCF)CC1 ZINC001268759598 903093334 /nfs/dbraw/zinc/09/33/34/903093334.db2.gz MQDUZLQXUFEEQD-AWEZNQCLSA-N 2 0 297.418 1.128 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](CC[NH+](C)C)C2)CC1 ZINC001177526731 914747477 /nfs/dbraw/zinc/74/74/77/914747477.db2.gz NJUHLPUHSVANPM-HNNXBMFYSA-N 2 0 291.439 1.132 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001269980845 904249528 /nfs/dbraw/zinc/24/95/28/904249528.db2.gz ICGXEFZNLQGHJM-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001270021839 904280133 /nfs/dbraw/zinc/28/01/33/904280133.db2.gz JHCUILPQNJKSRR-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001270550715 904720878 /nfs/dbraw/zinc/72/08/78/904720878.db2.gz JFTJIVIWPZWDMW-OAHLLOKOSA-N 2 0 279.428 1.084 10 30 CDEERP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001270624297 904836123 /nfs/dbraw/zinc/83/61/23/904836123.db2.gz OSNUQHUZWYRPFO-QGZVFWFLSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001271402435 906305256 /nfs/dbraw/zinc/30/52/56/906305256.db2.gz FBIWYZHVPKPJLE-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001567953055 1169091141 /nfs/dbraw/zinc/09/11/41/1169091141.db2.gz PIUYWRBFDVMAKN-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001484175683 915492665 /nfs/dbraw/zinc/49/26/65/915492665.db2.gz SUMOHZHSMCAVKY-HNNXBMFYSA-N 2 0 276.384 1.357 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCC1 ZINC001484663447 916010744 /nfs/dbraw/zinc/01/07/44/916010744.db2.gz UOBVOEHAHCVKSZ-HUUCEWRRSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001485050749 916432756 /nfs/dbraw/zinc/43/27/56/916432756.db2.gz PEUJOFORKQMVAA-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001485745264 917252374 /nfs/dbraw/zinc/25/23/74/917252374.db2.gz PLLMFSKNJSPLGK-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001272755430 919114343 /nfs/dbraw/zinc/11/43/43/919114343.db2.gz DMYOONSVKFJBDT-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001485937336 920603500 /nfs/dbraw/zinc/60/35/00/920603500.db2.gz DMSDPDWQQAVHFN-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001273084558 921955154 /nfs/dbraw/zinc/95/51/54/921955154.db2.gz SCSXXFMPKZIDQF-HNNXBMFYSA-N 2 0 291.439 1.533 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491120813 936858747 /nfs/dbraw/zinc/85/87/47/936858747.db2.gz QYHJQKRPJCVDHF-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001491130591 936860789 /nfs/dbraw/zinc/86/07/89/936860789.db2.gz OEAGPCUTLBPGLX-OAHLLOKOSA-N 2 0 279.428 1.487 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001568391878 1169271786 /nfs/dbraw/zinc/27/17/86/1169271786.db2.gz DOYADUCCRKJJFZ-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001489327742 926870219 /nfs/dbraw/zinc/87/02/19/926870219.db2.gz GOLGDXGOUIMPMH-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001568498300 1169330153 /nfs/dbraw/zinc/33/01/53/1169330153.db2.gz AVQBIVIPOITDJY-ZDUSSCGKSA-N 2 0 278.400 1.555 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001274331625 931491265 /nfs/dbraw/zinc/49/12/65/931491265.db2.gz LUQUNPHKJJHWGU-ONEGZZNKSA-N 2 0 285.819 1.343 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CCC=C)CC1 ZINC001274840930 931589707 /nfs/dbraw/zinc/58/97/07/931589707.db2.gz MNXLIRUIDYXISB-HNNXBMFYSA-N 2 0 291.439 1.392 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001274835540 931591010 /nfs/dbraw/zinc/59/10/10/931591010.db2.gz TZFVNXGBXNPYBX-ZDUSSCGKSA-N 2 0 253.390 1.143 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001275114295 931668496 /nfs/dbraw/zinc/66/84/96/931668496.db2.gz HTGXWACLABEOAH-HUUCEWRRSA-N 2 0 297.418 1.222 10 30 CDEERP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001275143813 931678758 /nfs/dbraw/zinc/67/87/58/931678758.db2.gz QYSYEWSDACDIAX-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001568554881 1169366195 /nfs/dbraw/zinc/36/61/95/1169366195.db2.gz YEOKVSAGYKBXGI-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925635917 932918382 /nfs/dbraw/zinc/91/83/82/932918382.db2.gz VADYBWKITLCEBI-NEPJUHHUSA-N 2 0 274.430 1.083 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001120399325 937797697 /nfs/dbraw/zinc/79/76/97/937797697.db2.gz YSLIHPVDYLSZHX-KKUMJFAQSA-N 2 0 279.428 1.293 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH2+]C ZINC001122243158 937915408 /nfs/dbraw/zinc/91/54/08/937915408.db2.gz SOGBUOPRLYXQNO-QWRGUYRKSA-N 2 0 259.781 1.057 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001331462907 945173128 /nfs/dbraw/zinc/17/31/28/945173128.db2.gz ZIZOLWHRDUSMCP-KGLIPLIRSA-N 2 0 285.407 1.126 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001276462411 939763407 /nfs/dbraw/zinc/76/34/07/939763407.db2.gz YQAZTBRNFQGYOY-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001276610742 940430001 /nfs/dbraw/zinc/43/00/01/940430001.db2.gz DEPAEFCHBNUPTC-CABCVRRESA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001277258846 942252324 /nfs/dbraw/zinc/25/23/24/942252324.db2.gz CSTZEOUSCZFSOS-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP C=C(C)C[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001283326585 942877138 /nfs/dbraw/zinc/87/71/38/942877138.db2.gz YQGZCVYSNRDCMV-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001263845826 944000749 /nfs/dbraw/zinc/00/07/49/944000749.db2.gz ZEWWXLSPBPCULZ-GASCZTMLSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001265072879 944220126 /nfs/dbraw/zinc/22/01/26/944220126.db2.gz INXJQGGUSURIEJ-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001265091248 944224991 /nfs/dbraw/zinc/22/49/91/944224991.db2.gz DEFHTAABWZULAO-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001265363116 944360566 /nfs/dbraw/zinc/36/05/66/944360566.db2.gz ZDXWDUPCXRXAAR-OAHLLOKOSA-N 2 0 289.423 1.123 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001265687511 944470213 /nfs/dbraw/zinc/47/02/13/944470213.db2.gz BDFZESCPMAKAMV-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001265775887 944504461 /nfs/dbraw/zinc/50/44/61/944504461.db2.gz ZVBVXCAGSWTUNW-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP C=CCC[NH+](C)CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001265923673 944577202 /nfs/dbraw/zinc/57/72/02/944577202.db2.gz USUARQPDCCHICK-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266009811 944628051 /nfs/dbraw/zinc/62/80/51/944628051.db2.gz ZGCTZGFOLMMSCF-CQSZACIVSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266015450 944634156 /nfs/dbraw/zinc/63/41/56/944634156.db2.gz FBFJGZQMLVKBEO-HNNXBMFYSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(C)C[NH+]1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001266183631 944738700 /nfs/dbraw/zinc/73/87/00/944738700.db2.gz LBGXPIIOVAJYQR-UHFFFAOYSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001479828911 971439906 /nfs/dbraw/zinc/43/99/06/971439906.db2.gz GSQYGLIDQAQUCL-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001479969040 971515024 /nfs/dbraw/zinc/51/50/24/971515024.db2.gz RRYJQFZHGBWBKA-CQSZACIVSA-N 2 0 277.412 1.239 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001480299670 971662887 /nfs/dbraw/zinc/66/28/87/971662887.db2.gz GJQGJZAHKDJROD-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001480333387 971675876 /nfs/dbraw/zinc/67/58/76/971675876.db2.gz SFQHNHJHLUJPIA-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480624303 971814032 /nfs/dbraw/zinc/81/40/32/971814032.db2.gz GFRDNWSNZBDTBA-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001493023873 971927069 /nfs/dbraw/zinc/92/70/69/971927069.db2.gz XKDXGXZHDTYWDT-INIZCTEOSA-N 2 0 297.418 1.270 10 30 CDEERP C=CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001493083571 971942823 /nfs/dbraw/zinc/94/28/23/971942823.db2.gz JQJJRWIPVHEBAX-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001316642793 953727178 /nfs/dbraw/zinc/72/71/78/953727178.db2.gz WALQXLOCVSAPBT-VGWMRTNUSA-N 2 0 291.439 1.367 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001325527366 953948891 /nfs/dbraw/zinc/94/88/91/953948891.db2.gz RQUXHEXEZOIWLD-KGLIPLIRSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001493182506 971972414 /nfs/dbraw/zinc/97/24/14/971972414.db2.gz IHFAVLDDEQRJBD-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001325947343 954152442 /nfs/dbraw/zinc/15/24/42/954152442.db2.gz ZAAJLLNLBZHQRH-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001326285161 954300965 /nfs/dbraw/zinc/30/09/65/954300965.db2.gz AXNHJBQYXBDTRQ-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCC1 ZINC001326897881 954606669 /nfs/dbraw/zinc/60/66/69/954606669.db2.gz CVKVTSJVYCKBID-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493498289 972070325 /nfs/dbraw/zinc/07/03/25/972070325.db2.gz ATPYJGOULCKCPM-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001329321426 955823755 /nfs/dbraw/zinc/82/37/55/955823755.db2.gz QYYVFYNNEQQLRP-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[N@@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C(C)C ZINC001493869494 972130876 /nfs/dbraw/zinc/13/08/76/972130876.db2.gz BCFCFQXTONZHLL-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001494171927 972193734 /nfs/dbraw/zinc/19/37/34/972193734.db2.gz KZBZEHUOQGFOLH-JKSUJKDBSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001331473453 957088284 /nfs/dbraw/zinc/08/82/84/957088284.db2.gz FRTMNISUPKNCRP-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001331529635 957121115 /nfs/dbraw/zinc/12/11/15/957121115.db2.gz LTCBLAPSUZXXGH-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001317183774 957330233 /nfs/dbraw/zinc/33/02/33/957330233.db2.gz IZIYVPLTPUUUOL-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+]C1CCC(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001317218722 957351391 /nfs/dbraw/zinc/35/13/91/957351391.db2.gz UPFONKGWQSECRF-NRXISQOPSA-N 2 0 299.434 1.869 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001317243529 957374601 /nfs/dbraw/zinc/37/46/01/957374601.db2.gz AVQTWEXDSLPQSA-LBPRGKRZSA-N 2 0 293.436 1.541 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317248492 957378191 /nfs/dbraw/zinc/37/81/91/957378191.db2.gz XOQRCQAIEBNYEV-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001332043720 957412794 /nfs/dbraw/zinc/41/27/94/957412794.db2.gz ASEANILTGVJPPH-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001332052538 957416729 /nfs/dbraw/zinc/41/67/29/957416729.db2.gz ZEOSPRHHUCCGHK-CABCVRRESA-N 2 0 291.439 1.627 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001317343818 957431753 /nfs/dbraw/zinc/43/17/53/957431753.db2.gz NJGVSCUJUFTUMB-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001332119462 957438959 /nfs/dbraw/zinc/43/89/59/957438959.db2.gz RZGKJMIVULJFLT-DOTOQJQBSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001332300614 957510307 /nfs/dbraw/zinc/51/03/07/957510307.db2.gz GJGXDBNOANOBJA-HUUCEWRRSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001317769833 957657288 /nfs/dbraw/zinc/65/72/88/957657288.db2.gz LMLNRINOKLALIY-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001318848097 958280349 /nfs/dbraw/zinc/28/03/49/958280349.db2.gz CSIAHESGJIBBSI-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001318931645 958311215 /nfs/dbraw/zinc/31/12/15/958311215.db2.gz RWCDCRUUCQXXHO-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[C@]1(C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC001333771667 958584862 /nfs/dbraw/zinc/58/48/62/958584862.db2.gz OLOXKHWRUFNDNJ-DLBZAZTESA-N 2 0 291.439 1.677 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001319635476 958666008 /nfs/dbraw/zinc/66/60/08/958666008.db2.gz WHLLDGZBUXILJT-OAHLLOKOSA-N 2 0 295.471 1.718 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001368720017 959079635 /nfs/dbraw/zinc/07/96/35/959079635.db2.gz DEOBFSFKJWVNSP-QWHCGFSZSA-N 2 0 287.835 1.708 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001320646821 959294074 /nfs/dbraw/zinc/29/40/74/959294074.db2.gz YSJFTPXCDWMYKG-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001321282773 959696031 /nfs/dbraw/zinc/69/60/31/959696031.db2.gz ZFDNHEGHVQDZOF-ONEGZZNKSA-N 2 0 299.846 1.733 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001321919587 960015561 /nfs/dbraw/zinc/01/55/61/960015561.db2.gz CWTDJSJWFVEPBY-ZDUSSCGKSA-N 2 0 299.378 1.551 10 30 CDEERP C#CCNC(=O)CC[NH2+]C1CCC2(CC1)CC[NH+](C)CC2 ZINC001336828765 960634342 /nfs/dbraw/zinc/63/43/42/960634342.db2.gz JCMXCHRUQMHIGW-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001437194048 962721902 /nfs/dbraw/zinc/72/19/02/962721902.db2.gz CCXBVEMISXZXMJ-AGIUHOORSA-N 2 0 287.835 1.564 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)C1CC[NH2+]CC1 ZINC001342851684 963841125 /nfs/dbraw/zinc/84/11/25/963841125.db2.gz GLKKAGTWNFNMQW-LLVKDONJSA-N 2 0 259.781 1.057 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001441376746 964482682 /nfs/dbraw/zinc/48/26/82/964482682.db2.gz DUZHLLHPYSUUSI-MGPQQGTHSA-N 2 0 299.846 1.565 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CCC[NH2+]1 ZINC001345140294 964595245 /nfs/dbraw/zinc/59/52/45/964595245.db2.gz XXXGXMZSVGZKED-HZPDHXFCSA-N 2 0 277.412 1.429 10 30 CDEERP C#CCCN1CCN(C(=O)[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001464612882 969800845 /nfs/dbraw/zinc/80/08/45/969800845.db2.gz TWMZEXMTKGKDOA-INIZCTEOSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497219425 973249566 /nfs/dbraw/zinc/24/95/66/973249566.db2.gz AKOXTQPLLYIBBN-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497305483 973282126 /nfs/dbraw/zinc/28/21/26/973282126.db2.gz YHZMMFSCYKSPPQ-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001500356029 974426311 /nfs/dbraw/zinc/42/63/11/974426311.db2.gz JFQUYEIMJZYHIK-GDBMZVCRSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001376337988 974634711 /nfs/dbraw/zinc/63/47/11/974634711.db2.gz CSFNXDXNHIZXTF-UONOGXRCSA-N 2 0 299.846 1.661 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001503577624 974824477 /nfs/dbraw/zinc/82/44/77/974824477.db2.gz OTYWVVHVOVQRJD-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001505410602 974864529 /nfs/dbraw/zinc/86/45/29/974864529.db2.gz FVIGYPLCZGLEAG-AWEZNQCLSA-N 2 0 277.412 1.239 10 30 CDEERP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCn2ccnc2)C(C)(C)C1 ZINC001506744457 975213171 /nfs/dbraw/zinc/21/31/71/975213171.db2.gz OHYQQRBMMUDTAH-AWEZNQCLSA-N 2 0 290.411 1.676 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001507415676 975459761 /nfs/dbraw/zinc/45/97/61/975459761.db2.gz LKCRHKORTIESDQ-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1(C)C ZINC001507446291 975473113 /nfs/dbraw/zinc/47/31/13/975473113.db2.gz SGWJYOBIDWZDQH-AWEZNQCLSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001676250317 1174196766 /nfs/dbraw/zinc/19/67/66/1174196766.db2.gz WOJRLQJNTIBLTH-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001676966554 1174302784 /nfs/dbraw/zinc/30/27/84/1174302784.db2.gz ZNMIUDANGDJFGY-HZPDHXFCSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001570018630 1170060225 /nfs/dbraw/zinc/06/02/25/1170060225.db2.gz HCQHTWBWXRYVGB-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001570363726 1170143314 /nfs/dbraw/zinc/14/33/14/1170143314.db2.gz GVACNMJNXBVKIK-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001570582649 1170195686 /nfs/dbraw/zinc/19/56/86/1170195686.db2.gz QXWOFRBTJJWPPM-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001571371291 1170388731 /nfs/dbraw/zinc/38/87/31/1170388731.db2.gz NBIGMNSYGMMNKI-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001571403797 1170414192 /nfs/dbraw/zinc/41/41/92/1170414192.db2.gz YNDKREBGFUPSJH-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000651706703 398156689 /nfs/dbraw/zinc/15/66/89/398156689.db2.gz KFGQHGUPQCWJBF-PMPSAXMXSA-N 2 0 293.455 1.908 10 30 CDEERP C=CC[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000625700685 342194111 /nfs/dbraw/zinc/19/41/11/342194111.db2.gz KVYQLGZWCYPYRI-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439633 342906504 /nfs/dbraw/zinc/90/65/04/342906504.db2.gz TUWJICFFSSRSDZ-KBPBESRZSA-N 2 0 280.416 1.198 10 30 CDEERP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]([NH3+])CCCCC#N)C[C@@H]1C[NH3+] ZINC000594449560 342909526 /nfs/dbraw/zinc/90/95/26/342909526.db2.gz KIAGZCIKNUYQHZ-RFGFWPKPSA-N 2 0 280.416 1.229 10 30 CDEERP C[C@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)C[NH+]1CCCC1 ZINC000600717261 342244310 /nfs/dbraw/zinc/24/43/10/342244310.db2.gz PRSJHSATCZAQQN-ZIAGYGMSSA-N 2 0 265.401 1.363 10 30 CDEERP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1C#N ZINC000600712302 349876673 /nfs/dbraw/zinc/87/66/73/349876673.db2.gz WRVPGAITWSIVME-QGZVFWFLSA-N 2 0 284.407 1.346 10 30 CDEERP C=CC[C@@]1(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCC[NH2+]1 ZINC000634741926 358189674 /nfs/dbraw/zinc/18/96/74/358189674.db2.gz TZVVAWASOJRSFF-XHSDSOJGSA-N 2 0 277.412 1.143 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001663104906 1172636115 /nfs/dbraw/zinc/63/61/15/1172636115.db2.gz NIXIARBIXOYLKE-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)[C@@H](CO)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000649247872 393178314 /nfs/dbraw/zinc/17/83/14/393178314.db2.gz DQJXCFDIFNUJNU-OAHLLOKOSA-N 2 0 254.418 1.977 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000662708570 413356979 /nfs/dbraw/zinc/35/69/79/413356979.db2.gz MYUKZGRUUMKJNV-HOCLYGCPSA-N 2 0 277.412 1.381 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCC[NH2+]1 ZINC000662719622 413378607 /nfs/dbraw/zinc/37/86/07/413378607.db2.gz HPMVEIGCDXPBNS-HOCLYGCPSA-N 2 0 277.412 1.285 10 30 CDEERP C=CC[C@]1(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCC[NH2+]1 ZINC000662767264 413464031 /nfs/dbraw/zinc/46/40/31/413464031.db2.gz SWNIVAYYXZLSAC-RZLSGREXSA-N 2 0 277.412 1.271 10 30 CDEERP C=CCNC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293738 414620675 /nfs/dbraw/zinc/62/06/75/414620675.db2.gz IUCBBPLGQPCANB-AWEZNQCLSA-N 2 0 265.401 1.000 10 30 CDEERP CN(Cc1ccc(F)c(C#CC[NH3+])c1)[C@H]1CCC[N@H+](C)C1 ZINC000053247549 175545116 /nfs/dbraw/zinc/54/51/16/175545116.db2.gz WJMPNZBBVCBBIP-INIZCTEOSA-N 2 0 289.398 1.662 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001665839728 1173071766 /nfs/dbraw/zinc/07/17/66/1173071766.db2.gz RSLDLKHPXRHURG-CQSZACIVSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001666162286 1173114446 /nfs/dbraw/zinc/11/44/46/1173114446.db2.gz LRKDBQOMIHKRDJ-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001666417402 1173133389 /nfs/dbraw/zinc/13/33/89/1173133389.db2.gz FOYGFNQBJNNQKF-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001666558006 1173151940 /nfs/dbraw/zinc/15/19/40/1173151940.db2.gz JIPOPEVXFMNWHP-LBPRGKRZSA-N 2 0 293.436 1.398 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668524015 1173422028 /nfs/dbraw/zinc/42/20/28/1173422028.db2.gz FIPYAXIDVZWSRH-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CCC=C)CC1 ZINC001668652333 1173436759 /nfs/dbraw/zinc/43/67/59/1173436759.db2.gz MGNIZHMYCCRDML-UHFFFAOYSA-N 2 0 291.439 1.346 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001673131302 1173827763 /nfs/dbraw/zinc/82/77/63/1173827763.db2.gz DQAKCRSGLRTFJA-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001673380291 1173850852 /nfs/dbraw/zinc/85/08/52/1173850852.db2.gz KDLMLRUZTAYTPM-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001674033713 1173908656 /nfs/dbraw/zinc/90/86/56/1173908656.db2.gz KJLLVZCSNGNFSE-CABCVRRESA-N 2 0 293.455 1.423 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CN(C)C(NC1CCC1)=[NH+]C ZINC000262791694 330031775 /nfs/dbraw/zinc/03/17/75/330031775.db2.gz OGGOYOHPUOCGKS-CYBMUJFWSA-N 2 0 252.406 1.530 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001725506107 1159248412 /nfs/dbraw/zinc/24/84/12/1159248412.db2.gz SRADDAGUZNFXCF-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001691446744 1159306221 /nfs/dbraw/zinc/30/62/21/1159306221.db2.gz CWLQOARNPVOPLT-ZNMIVQPWSA-N 2 0 281.444 1.633 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001270128535 1160092156 /nfs/dbraw/zinc/09/21/56/1160092156.db2.gz IHILOZKHHPVPFL-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001691693101 1161570939 /nfs/dbraw/zinc/57/09/39/1161570939.db2.gz ZCBBOHZGPMVBFO-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001724859236 1181779859 /nfs/dbraw/zinc/77/98/59/1181779859.db2.gz AMZWVELGDOXAAF-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C=CC[C@H](CO)C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000344323507 527187255 /nfs/dbraw/zinc/18/72/55/527187255.db2.gz IMOOSBMYJJCBBA-AWEZNQCLSA-N 2 0 286.379 1.850 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940618190 613599769 /nfs/dbraw/zinc/59/97/69/613599769.db2.gz QBHOGRPJCCIVSF-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)ccc1C#N ZINC000925669014 617625853 /nfs/dbraw/zinc/62/58/53/617625853.db2.gz NPUKJFKSWMTJAV-CABCVRRESA-N 2 0 271.364 1.926 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000900208539 622804139 /nfs/dbraw/zinc/80/41/39/622804139.db2.gz LBJIFRPDJQZTGP-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000900406428 623010748 /nfs/dbraw/zinc/01/07/48/623010748.db2.gz QDZGVZVZAQMQPF-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000900526550 623175903 /nfs/dbraw/zinc/17/59/03/623175903.db2.gz DPEGFDCYIMACPI-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000900781546 623472275 /nfs/dbraw/zinc/47/22/75/623472275.db2.gz FJZDOJOGZZYLRD-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902393614 624756994 /nfs/dbraw/zinc/75/69/94/624756994.db2.gz RCPMOVLQUNSEFW-IHRRRGAJSA-N 2 0 252.402 1.945 10 30 CDEERP C=CCN(CC=C)C(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903788704 626095225 /nfs/dbraw/zinc/09/52/25/626095225.db2.gz FRMUXTKZOYSMSZ-UHFFFAOYSA-N 2 0 293.455 1.884 10 30 CDEERP COc1cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)ccc1C#N ZINC000903978251 626170095 /nfs/dbraw/zinc/17/00/95/626170095.db2.gz BYSSDABPYRMCCT-IUODEOHRSA-N 2 0 273.380 1.902 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000876770569 677719990 /nfs/dbraw/zinc/71/99/90/677719990.db2.gz HNHXGCDOZUGJEG-AVGNSLFASA-N 2 0 287.835 1.788 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876956439 678041636 /nfs/dbraw/zinc/04/16/36/678041636.db2.gz KDXXUPZWBADKIJ-NEPJUHHUSA-N 2 0 287.835 1.693 10 30 CDEERP C=CC[C@H](CO)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925627818 678052414 /nfs/dbraw/zinc/05/24/14/678052414.db2.gz ABPLQIZDZAYANB-NUEKZKHPSA-N 2 0 266.429 1.929 10 30 CDEERP N#CC1CCC(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000931067308 678450638 /nfs/dbraw/zinc/45/06/38/678450638.db2.gz PGNWOMCJJWVRQV-VMBOVVBDSA-N 2 0 291.439 1.847 10 30 CDEERP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000104192504 678580478 /nfs/dbraw/zinc/58/04/78/678580478.db2.gz ONLUVRNSNFXROU-HNNXBMFYSA-N 2 0 290.411 1.832 10 30 CDEERP C=CCC[C@@H](O)C[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931311542 678873470 /nfs/dbraw/zinc/87/34/70/678873470.db2.gz RLHMWWVNGHPCOF-KFWWJZLASA-N 2 0 252.402 1.587 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876755260 678957133 /nfs/dbraw/zinc/95/71/33/678957133.db2.gz IQLJUOUXECGRIT-GJBLVYBDSA-N 2 0 277.412 1.309 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000876740533 679059126 /nfs/dbraw/zinc/05/91/26/679059126.db2.gz IMEIJDBHWZTANQ-GFCCVEGCSA-N 2 0 273.808 1.304 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CCC[NH2+]1 ZINC000877248953 679077850 /nfs/dbraw/zinc/07/78/50/679077850.db2.gz GMAGLSMBVURMGP-IIAWOOMASA-N 2 0 277.412 1.237 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000876729801 679378352 /nfs/dbraw/zinc/37/83/52/679378352.db2.gz XQHOLAAYOMNMQM-PWSUYJOCSA-N 2 0 273.808 1.304 10 30 CDEERP C=CCC[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001691052509 1158840961 /nfs/dbraw/zinc/84/09/61/1158840961.db2.gz SGLVBPDAGVAXGO-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001691082976 1158899296 /nfs/dbraw/zinc/89/92/96/1158899296.db2.gz PJDAZFAGVMJZJA-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001691213345 1158962215 /nfs/dbraw/zinc/96/22/15/1158962215.db2.gz UEQSIZOEJQSNAA-UHFFFAOYSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266987932 1159069916 /nfs/dbraw/zinc/06/99/16/1159069916.db2.gz AWZHSZFIHUOCLB-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001691029347 1158611662 /nfs/dbraw/zinc/61/16/62/1158611662.db2.gz HSQWMXBSWLCHLO-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001691170498 1158942848 /nfs/dbraw/zinc/94/28/48/1158942848.db2.gz CNQMSXWPUCASPN-HOTGVXAUSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001267960877 1159627774 /nfs/dbraw/zinc/62/77/74/1159627774.db2.gz PRQCOMLGGVYLDC-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001270137107 1160093300 /nfs/dbraw/zinc/09/33/00/1160093300.db2.gz USNPXQKYZKSZAF-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482923855 1160646174 /nfs/dbraw/zinc/64/61/74/1160646174.db2.gz HLXKTGZLIHUBDV-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001485611970 1161279244 /nfs/dbraw/zinc/27/92/44/1161279244.db2.gz PDEFWBFDZFUDJN-QKDCVEJESA-N 2 0 279.428 1.198 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001632863316 1166381773 /nfs/dbraw/zinc/38/17/73/1166381773.db2.gz VTXIOYBDMTZBAA-AWEZNQCLSA-N 2 0 297.418 1.577 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001274165557 1166578628 /nfs/dbraw/zinc/57/86/28/1166578628.db2.gz ZDBMXZVTNCYOMN-ARJAWSKDSA-N 2 0 277.412 1.453 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001567177768 1168606752 /nfs/dbraw/zinc/60/67/52/1168606752.db2.gz WUGMQCCLOQWLRQ-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001567379922 1168720238 /nfs/dbraw/zinc/72/02/38/1168720238.db2.gz FUNHTLFBPBTNLC-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568412690 1169276854 /nfs/dbraw/zinc/27/68/54/1169276854.db2.gz VJQAFYUDPZBGDG-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001568970150 1169567676 /nfs/dbraw/zinc/56/76/76/1169567676.db2.gz TYBOZPPNSTTYAM-SRLDXXQCSA-N 2 0 279.428 1.697 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC[C@H](C)F)CC1 ZINC001569099312 1169644168 /nfs/dbraw/zinc/64/41/68/1169644168.db2.gz YRKVZHQQHZYHIL-KBPBESRZSA-N 2 0 297.418 1.174 10 30 CDEERP C[N@H+](CCCN1CC[NH+](C)CC1)CC1CCC(C#N)CC1 ZINC001650046434 1169647301 /nfs/dbraw/zinc/64/73/01/1169647301.db2.gz BTSOIERABYXGMM-UHFFFAOYSA-N 2 0 292.471 1.886 10 30 CDEERP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001656303067 1171806043 /nfs/dbraw/zinc/80/60/43/1171806043.db2.gz WIPPKSZYVLTXKC-ZNMIVQPWSA-N 2 0 297.418 1.174 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001661162308 1172346023 /nfs/dbraw/zinc/34/60/23/1172346023.db2.gz GMZZKAHFDXMZHD-INIZCTEOSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001662722503 1172586917 /nfs/dbraw/zinc/58/69/17/1172586917.db2.gz MZJXPVGYZHGGLV-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001664817035 1172914780 /nfs/dbraw/zinc/91/47/80/1172914780.db2.gz BBDWUAIGOWERNH-GJZGRUSLSA-N 2 0 281.444 1.539 10 30 CDEERP C=CCCC[NH+]1CC[C@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001671672039 1173702292 /nfs/dbraw/zinc/70/22/92/1173702292.db2.gz CZEIEIICOFOLGD-WBVHZDCISA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC(C)(C)C1 ZINC001689366190 1175153824 /nfs/dbraw/zinc/15/38/24/1175153824.db2.gz YPWBPAMHYHEDDY-HNNXBMFYSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001690363320 1175449796 /nfs/dbraw/zinc/44/97/96/1175449796.db2.gz JZMHLECGGASGBT-FRRDWIJNSA-N 2 0 253.390 1.140 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001690584613 1175513006 /nfs/dbraw/zinc/51/30/06/1175513006.db2.gz PQJHZXJMNBVMEJ-GDBMZVCRSA-N 2 0 291.439 1.511 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001690721749 1175555384 /nfs/dbraw/zinc/55/53/84/1175555384.db2.gz RGWOYSXSGKJTGB-HNNXBMFYSA-N 2 0 289.423 1.076 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001690862651 1175594175 /nfs/dbraw/zinc/59/41/75/1175594175.db2.gz KKBKJPGUQSYLNY-CQSZACIVSA-N 2 0 281.444 1.472 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691910927 1175650141 /nfs/dbraw/zinc/65/01/41/1175650141.db2.gz SRECFWVIKDCHKM-LSDHHAIUSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001698588949 1175859021 /nfs/dbraw/zinc/85/90/21/1175859021.db2.gz XAOMJZAPFYRPPJ-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001698617702 1175873844 /nfs/dbraw/zinc/87/38/44/1175873844.db2.gz GDRODTKGFIPRDN-UONOGXRCSA-N 2 0 267.417 1.080 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001700102759 1176747820 /nfs/dbraw/zinc/74/78/20/1176747820.db2.gz ALMAQMWVSZSPEI-SHTZXODSSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001700440784 1176930750 /nfs/dbraw/zinc/93/07/50/1176930750.db2.gz YDNLCFVZUKLSBM-OAHLLOKOSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001700486176 1176976511 /nfs/dbraw/zinc/97/65/11/1176976511.db2.gz CQDREKVSJUTQPL-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001700520777 1176993489 /nfs/dbraw/zinc/99/34/89/1176993489.db2.gz PXGUPNHWYGXLDA-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001700769049 1177122800 /nfs/dbraw/zinc/12/28/00/1177122800.db2.gz VNLNHYKIXQLSGR-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH+]1CC=C(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001701062558 1177260085 /nfs/dbraw/zinc/26/00/85/1177260085.db2.gz FWCFIGQGGUZVMZ-GASCZTMLSA-N 2 0 291.439 1.794 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001707108187 1177952393 /nfs/dbraw/zinc/95/23/93/1177952393.db2.gz RIFQXFJYWKLNOP-ARFHVFGLSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707114231 1177954144 /nfs/dbraw/zinc/95/41/44/1177954144.db2.gz SPWXAVNEVVXNEC-LSDHHAIUSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001713173097 1178412373 /nfs/dbraw/zinc/41/23/73/1178412373.db2.gz QWFCRIIVDHOLHW-AVGNSLFASA-N 2 0 253.390 1.140 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001713191886 1178422931 /nfs/dbraw/zinc/42/29/31/1178422931.db2.gz SDVHNHBEJWRQOS-OWCLPIDISA-N 2 0 291.439 1.531 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713202847 1178429970 /nfs/dbraw/zinc/42/99/70/1178429970.db2.gz SNDDMIBYOWQFNG-XHSDSOJGSA-N 2 0 291.439 1.509 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001713219647 1178438766 /nfs/dbraw/zinc/43/87/66/1178438766.db2.gz UTHWLTZQKRJKMO-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001713220423 1178439233 /nfs/dbraw/zinc/43/92/33/1178439233.db2.gz KVUDCCLRXVTUEK-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713542050 1178635428 /nfs/dbraw/zinc/63/54/28/1178635428.db2.gz PTIWQTCGJLEOGT-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713787567 1178753376 /nfs/dbraw/zinc/75/33/76/1178753376.db2.gz VPGJSMUXPPHUIC-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001713906168 1178833656 /nfs/dbraw/zinc/83/36/56/1178833656.db2.gz LHZBPNTVOKPRKX-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001714046599 1178944785 /nfs/dbraw/zinc/94/47/85/1178944785.db2.gz HWLLMAHKGJMQKV-CABCVRRESA-N 2 0 279.428 1.273 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001714048702 1178946602 /nfs/dbraw/zinc/94/66/02/1178946602.db2.gz JJNLPMUPOKKURA-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001714050088 1178946737 /nfs/dbraw/zinc/94/67/37/1178946737.db2.gz MYTYSUAKVUUUFI-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)c1sccc1C[NH+](C)C ZINC001714081293 1178965129 /nfs/dbraw/zinc/96/51/29/1178965129.db2.gz WDZGFVVHYNCHAQ-CYBMUJFWSA-N 2 0 293.436 1.541 10 30 CDEERP C#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001714153086 1178992731 /nfs/dbraw/zinc/99/27/31/1178992731.db2.gz YKWFXKAWCSVKLQ-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)CCC[NH+]2CCCC2)CCCC1 ZINC001714152667 1178993232 /nfs/dbraw/zinc/99/32/32/1178993232.db2.gz XVSACFCOHRATGS-UHFFFAOYSA-N 2 0 291.439 1.514 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001714238285 1179040679 /nfs/dbraw/zinc/04/06/79/1179040679.db2.gz DGIQBBXEQICBCC-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[N@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001714911345 1179448746 /nfs/dbraw/zinc/44/87/46/1179448746.db2.gz AXUYQQPLVGLRST-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001715029339 1179517080 /nfs/dbraw/zinc/51/70/80/1179517080.db2.gz DOUWBEWMGQPWSL-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715066113 1179537411 /nfs/dbraw/zinc/53/74/11/1179537411.db2.gz TVPPMAXLOYQWBJ-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001715161488 1179566752 /nfs/dbraw/zinc/56/67/52/1179566752.db2.gz ZRPATKLYELDJSP-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CCC)CC1 ZINC001715710167 1179770979 /nfs/dbraw/zinc/77/09/79/1179770979.db2.gz WEULLCAIZRFYCZ-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCCC[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001715982590 1179961598 /nfs/dbraw/zinc/96/15/98/1179961598.db2.gz DHNBKZBZRLOTIO-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001716050829 1180021844 /nfs/dbraw/zinc/02/18/44/1180021844.db2.gz KAOZGVYALJLUTI-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001716344152 1180162734 /nfs/dbraw/zinc/16/27/34/1180162734.db2.gz QQXANBTXGYYSGW-CMDGGOBGSA-N 2 0 279.428 1.250 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001716412702 1180193641 /nfs/dbraw/zinc/19/36/41/1180193641.db2.gz MQZQXBCELPXEEY-CZUORRHYSA-N 2 0 297.418 1.317 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001716452672 1180218151 /nfs/dbraw/zinc/21/81/51/1180218151.db2.gz MQZQXBCELPXEEY-BBRMVZONSA-N 2 0 297.418 1.317 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001716787036 1180414766 /nfs/dbraw/zinc/41/47/66/1180414766.db2.gz LCGXDBBWHRYOFU-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CCC)C1CCCC1 ZINC001716822640 1180425901 /nfs/dbraw/zinc/42/59/01/1180425901.db2.gz ANHPKMTTWGKBOA-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001716837211 1180430686 /nfs/dbraw/zinc/43/06/86/1180430686.db2.gz ROVBVTIFCSXYBB-GOEBONIOSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001717199101 1180570209 /nfs/dbraw/zinc/57/02/09/1180570209.db2.gz FVGPQJZHXDXMTI-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001717371258 1180632950 /nfs/dbraw/zinc/63/29/50/1180632950.db2.gz NCBBAJFCVFULAH-HZPDHXFCSA-N 2 0 293.455 1.663 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001717641606 1180769752 /nfs/dbraw/zinc/76/97/52/1180769752.db2.gz OTQXKSJZVTXCIS-RBSFLKMASA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001717651975 1180776473 /nfs/dbraw/zinc/77/64/73/1180776473.db2.gz ADOLNMPBZCHQNM-SHTZXODSSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001717854906 1180895139 /nfs/dbraw/zinc/89/51/39/1180895139.db2.gz ZWUAWYDIHDGPKX-ZIAGYGMSSA-N 2 0 279.428 1.626 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001725124659 1181874002 /nfs/dbraw/zinc/87/40/02/1181874002.db2.gz YLRUKOZRWVJINW-KBPBESRZSA-N 2 0 297.443 1.156 10 30 CDEERP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001725248277 1181936203 /nfs/dbraw/zinc/93/62/03/1181936203.db2.gz LVCPBPRAKILXCN-UKRRQHHQSA-N 2 0 297.418 1.126 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725487300 1182020968 /nfs/dbraw/zinc/02/09/68/1182020968.db2.gz BRLOWQPZPPOAER-HIFRSBDPSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001725735976 1182116919 /nfs/dbraw/zinc/11/69/19/1182116919.db2.gz LKRZSTMLOSACTC-UONOGXRCSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731734773 1182539230 /nfs/dbraw/zinc/53/92/30/1182539230.db2.gz SFLSJNSYAZGJSA-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001731883953 1182650881 /nfs/dbraw/zinc/65/08/81/1182650881.db2.gz BVXSOSZKVBIHFJ-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001732073164 1182751758 /nfs/dbraw/zinc/75/17/58/1182751758.db2.gz MBLLSVANKKRFKK-OAHLLOKOSA-N 2 0 289.423 1.028 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001732789135 1183125444 /nfs/dbraw/zinc/12/54/44/1183125444.db2.gz NRJMNGUWXPXKEA-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732810408 1183133887 /nfs/dbraw/zinc/13/38/87/1183133887.db2.gz BTPHAKJATQMLED-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732851145 1183157482 /nfs/dbraw/zinc/15/74/82/1183157482.db2.gz CWFCAASADXWPCY-BUWFCSEKSA-N 2 0 293.455 1.945 10 30 CDEERP C=CC[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001733296813 1183381384 /nfs/dbraw/zinc/38/13/84/1183381384.db2.gz KYMGKAQXRZFPSK-INIZCTEOSA-N 2 0 279.428 1.439 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001733534199 1183458739 /nfs/dbraw/zinc/45/87/39/1183458739.db2.gz CFIYVTDUAUVBKZ-GOEBONIOSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001734593905 1183838912 /nfs/dbraw/zinc/83/89/12/1183838912.db2.gz AFFYVAPWXCVDDZ-GPANFISMSA-N 2 0 291.439 1.462 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691886713 1164433760 /nfs/dbraw/zinc/43/37/60/1164433760.db2.gz DSACPEQODLYABJ-RBSFLKMASA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001567147062 1168596604 /nfs/dbraw/zinc/59/66/04/1168596604.db2.gz LCDGZJWLHSTOIR-HNNXBMFYSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001266411161 894750688 /nfs/dbraw/zinc/75/06/88/894750688.db2.gz OXJWTURBYPWEQB-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCC)C(C)C)CC1 ZINC001266579351 895430875 /nfs/dbraw/zinc/43/08/75/895430875.db2.gz ORFMMHKJODPAQX-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001266719334 895908906 /nfs/dbraw/zinc/90/89/06/895908906.db2.gz YTIZWBICTLUVAM-CALCHBBNSA-N 2 0 299.418 1.622 10 30 CDEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267108921 896811375 /nfs/dbraw/zinc/81/13/75/896811375.db2.gz VEJKUAGOURHAJU-HUUCEWRRSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001267493827 898149517 /nfs/dbraw/zinc/14/95/17/898149517.db2.gz VMBMYSIJEMGQCE-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267596330 898652082 /nfs/dbraw/zinc/65/20/82/898652082.db2.gz YHYOIBVACMNYNS-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267681206 899265368 /nfs/dbraw/zinc/26/53/68/899265368.db2.gz AMDKNWYRKADCHR-CQSZACIVSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001267990515 900209581 /nfs/dbraw/zinc/20/95/81/900209581.db2.gz KEMVADYDACKGMH-OAHLLOKOSA-N 2 0 291.439 1.228 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001268213061 901582471 /nfs/dbraw/zinc/58/24/71/901582471.db2.gz MAGRNGGMFQNOEW-MGPQQGTHSA-N 2 0 267.417 1.243 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001481660265 901751879 /nfs/dbraw/zinc/75/18/79/901751879.db2.gz DWZJSTVSIRRFII-BETUJISGSA-N 2 0 265.401 1.093 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)C[N@H+](C)C(C)C ZINC001481879958 902258455 /nfs/dbraw/zinc/25/84/55/902258455.db2.gz BABXLNMBSGURCL-CYBMUJFWSA-N 2 0 255.406 1.387 10 30 CDEERP C=CCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001567778813 1168965929 /nfs/dbraw/zinc/96/59/29/1168965929.db2.gz OUJPQRXVOZXVLS-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268691083 902971184 /nfs/dbraw/zinc/97/11/84/902971184.db2.gz KMSJTBYDBDAQHL-LBPRGKRZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001268746555 903076019 /nfs/dbraw/zinc/07/60/19/903076019.db2.gz LOHRRWJVDBTSPN-CJNGLKHVSA-N 2 0 299.434 1.821 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1CC ZINC001269180800 903512296 /nfs/dbraw/zinc/51/22/96/903512296.db2.gz FNTRHKFSSOXMCU-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001269522937 903891192 /nfs/dbraw/zinc/89/11/92/903891192.db2.gz WDZIXFVEJWEOOL-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001482435354 905403313 /nfs/dbraw/zinc/40/33/13/905403313.db2.gz RAIYFZFRKJGESE-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001271128982 905745099 /nfs/dbraw/zinc/74/50/99/905745099.db2.gz JVTONEPCQXYOTL-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483354018 910964132 /nfs/dbraw/zinc/96/41/32/910964132.db2.gz PGKAQJVOSOBREK-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001483408626 911078686 /nfs/dbraw/zinc/07/86/86/911078686.db2.gz QGADIOVYGZPVRS-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001484121487 915445797 /nfs/dbraw/zinc/44/57/97/915445797.db2.gz CQWULRDDFBLCHO-INIZCTEOSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001484537641 915866492 /nfs/dbraw/zinc/86/64/92/915866492.db2.gz JXOHJNIEZXYJSI-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001484894288 916248344 /nfs/dbraw/zinc/24/83/44/916248344.db2.gz IDAFMOQWUPTKGN-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484978226 916357900 /nfs/dbraw/zinc/35/79/00/916357900.db2.gz AJBICSDPGACISM-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001485039545 916416710 /nfs/dbraw/zinc/41/67/10/916416710.db2.gz JVNHUSOLYZBMLX-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485075199 916471271 /nfs/dbraw/zinc/47/12/71/916471271.db2.gz BEGMZXQQIPMKBT-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001485195130 916658056 /nfs/dbraw/zinc/65/80/56/916658056.db2.gz RZVNPOPYRSFFRK-KGLIPLIRSA-N 2 0 281.444 1.470 10 30 CDEERP C#CCC[NH+]1CC[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001494073134 917254402 /nfs/dbraw/zinc/25/44/02/917254402.db2.gz ICIGLPOPXVQSMY-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001486518774 921094362 /nfs/dbraw/zinc/09/43/62/921094362.db2.gz IIHGSCVRDBYFTH-OAHLLOKOSA-N 2 0 279.428 1.651 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001568312401 1169238706 /nfs/dbraw/zinc/23/87/06/1169238706.db2.gz LFNUHBKYPQCCHC-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001490945901 936834409 /nfs/dbraw/zinc/83/44/09/936834409.db2.gz LGKMFFNGGCASSB-VGWMRTNUSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001491160944 936867496 /nfs/dbraw/zinc/86/74/96/936867496.db2.gz OTQLETBTMUVNSK-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001491457186 936919817 /nfs/dbraw/zinc/91/98/17/936919817.db2.gz OBLZJWKPRKKCFI-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001488699136 926648206 /nfs/dbraw/zinc/64/82/06/926648206.db2.gz NOQXOIQAMFMULS-CQSZACIVSA-N 2 0 267.417 1.435 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001490711652 927296931 /nfs/dbraw/zinc/29/69/31/927296931.db2.gz ZNZWOJZOAMDWNY-BXUZGUMPSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001490742051 927314662 /nfs/dbraw/zinc/31/46/62/927314662.db2.gz LKASPDXQIOBHJD-AWEZNQCLSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001275849587 932091523 /nfs/dbraw/zinc/09/15/23/932091523.db2.gz HBJIJMMYXMVFMO-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001277447191 942587275 /nfs/dbraw/zinc/58/72/75/942587275.db2.gz BNNRAVCYFPSYQL-UHFFFAOYSA-N 2 0 281.444 1.826 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001281931947 942633625 /nfs/dbraw/zinc/63/36/25/942633625.db2.gz GQMABLDCWBTFLM-CVEARBPZSA-N 2 0 291.439 1.415 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001282207909 942678207 /nfs/dbraw/zinc/67/82/07/942678207.db2.gz RDJDZBXHYWWAFU-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001282215065 942679826 /nfs/dbraw/zinc/67/98/26/942679826.db2.gz PLXGMJHYKIPOCP-UONOGXRCSA-N 2 0 279.428 1.223 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001282646554 942735471 /nfs/dbraw/zinc/73/54/71/942735471.db2.gz FBFMBTIIJZIPQV-HRCADAONSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001282652903 942735686 /nfs/dbraw/zinc/73/56/86/942735686.db2.gz CIDKUDCVCDCUAA-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001284243189 943127809 /nfs/dbraw/zinc/12/78/09/943127809.db2.gz GZRWASJJVQHTCW-GJZGRUSLSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001284244972 943129742 /nfs/dbraw/zinc/12/97/42/943129742.db2.gz RXCGCMAQYNUVBG-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n1ccnc1CC ZINC001277825497 943716535 /nfs/dbraw/zinc/71/65/35/943716535.db2.gz BSDZHXIEJYGCQR-ZIAGYGMSSA-N 2 0 290.411 1.466 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001263865777 944014282 /nfs/dbraw/zinc/01/42/82/944014282.db2.gz UCXYOENJLPOHPS-RBSFLKMASA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001264062139 944070820 /nfs/dbraw/zinc/07/08/20/944070820.db2.gz SXEQQRCLTWMXCW-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001264376833 944120389 /nfs/dbraw/zinc/12/03/89/944120389.db2.gz PIHLOEKDSYRYGG-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001265655950 944459194 /nfs/dbraw/zinc/45/91/94/944459194.db2.gz SNFHWSIJKUCKOS-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001265743149 944485814 /nfs/dbraw/zinc/48/58/14/944485814.db2.gz DBSIJVFJLDAMOZ-RUXDESIVSA-N 2 0 267.417 1.530 10 30 CDEERP CC#CC[NH+]1CCC(N(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001266195300 944745728 /nfs/dbraw/zinc/74/57/28/944745728.db2.gz SHNZCXVEGFCIJE-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001479258796 971277912 /nfs/dbraw/zinc/27/79/12/971277912.db2.gz XXKIITWELREWSL-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001279005773 948561857 /nfs/dbraw/zinc/56/18/57/948561857.db2.gz DWXXSSQKQNJLOG-UONOGXRCSA-N 2 0 290.411 1.745 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001480031385 971546921 /nfs/dbraw/zinc/54/69/21/971546921.db2.gz QYDMUUZVVPUIIU-OAHLLOKOSA-N 2 0 289.423 1.123 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480121857 971586645 /nfs/dbraw/zinc/58/66/45/971586645.db2.gz BMSRVLHZAYLFHV-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480167188 971610927 /nfs/dbraw/zinc/61/09/27/971610927.db2.gz JZMHLECGGASGBT-AVGNSLFASA-N 2 0 253.390 1.140 10 30 CDEERP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001278592825 950316330 /nfs/dbraw/zinc/31/63/30/950316330.db2.gz GSHMVNJTJVYJBF-HUUCEWRRSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001480349663 971683177 /nfs/dbraw/zinc/68/31/77/971683177.db2.gz IRKAJKDLTLXZAA-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C[NH+](C)CC#CCNC(=O)NCCC[NH2+]C1CCCCC1 ZINC001251705364 950768447 /nfs/dbraw/zinc/76/84/47/950768447.db2.gz QPKHHXBMDFCNFP-UHFFFAOYSA-N 2 0 294.443 1.163 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001569140602 1169683676 /nfs/dbraw/zinc/68/36/76/1169683676.db2.gz ANJDXQWNSVAWAD-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001324885958 953622862 /nfs/dbraw/zinc/62/28/62/953622862.db2.gz DTALVTQXGWQNTQ-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001327489361 954904190 /nfs/dbraw/zinc/90/41/90/954904190.db2.gz YKRPACHRLOMAGR-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001327995117 955148187 /nfs/dbraw/zinc/14/81/87/955148187.db2.gz HAZMAWGNDNLTLT-UHFFFAOYSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001569203494 1169719945 /nfs/dbraw/zinc/71/99/45/1169719945.db2.gz WCLMAZBRTQGPMN-OAHLLOKOSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001328718722 955438384 /nfs/dbraw/zinc/43/83/84/955438384.db2.gz LKNNNULZSQCTNP-LSDHHAIUSA-N 2 0 277.412 1.027 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001493667022 972097284 /nfs/dbraw/zinc/09/72/84/972097284.db2.gz KRJOWHUOAZSORS-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001491806018 955471415 /nfs/dbraw/zinc/47/14/15/955471415.db2.gz XAOXBYFJSNIQME-GDBMZVCRSA-N 2 0 291.439 1.342 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001329130074 955702531 /nfs/dbraw/zinc/70/25/31/955702531.db2.gz XZVABKHCDYTQRC-CHWSQXEVSA-N 2 0 269.433 1.633 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001329459043 955928131 /nfs/dbraw/zinc/92/81/31/955928131.db2.gz GUBKYWPCOOJTBW-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001329765677 956104934 /nfs/dbraw/zinc/10/49/34/956104934.db2.gz QIUPHAZXYIWODZ-JKSUJKDBSA-N 2 0 295.471 1.977 10 30 CDEERP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001329954734 956201533 /nfs/dbraw/zinc/20/15/33/956201533.db2.gz VBFNWUGYLSZXGF-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317467506 956340942 /nfs/dbraw/zinc/34/09/42/956340942.db2.gz UXGWIIFCEQMRBI-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001569258070 1169738691 /nfs/dbraw/zinc/73/86/91/1169738691.db2.gz PYGCLZXPULIZCG-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001317100470 957269417 /nfs/dbraw/zinc/26/94/17/957269417.db2.gz RHWLLTDEOKMGII-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001317124384 957288407 /nfs/dbraw/zinc/28/84/07/957288407.db2.gz KLULXPBMYCOQGC-WCVJEAGWSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001332052542 957416662 /nfs/dbraw/zinc/41/66/62/957416662.db2.gz ZEOSPRHHUCCGHK-GJZGRUSLSA-N 2 0 291.439 1.627 10 30 CDEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317380722 957443025 /nfs/dbraw/zinc/44/30/25/957443025.db2.gz GGAKODLWLJVAMK-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001317414960 957461530 /nfs/dbraw/zinc/46/15/30/957461530.db2.gz GEXZYSSSBCGCCW-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001317423049 957464429 /nfs/dbraw/zinc/46/44/29/957464429.db2.gz JBFBHKFJHFNNOQ-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001317507643 957517941 /nfs/dbraw/zinc/51/79/41/957517941.db2.gz DFDQLLFOFJICCK-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001317605586 957594320 /nfs/dbraw/zinc/59/43/20/957594320.db2.gz PLKHSHODBYCMRT-UHFFFAOYSA-N 2 0 265.401 1.239 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C ZINC001332881004 957913219 /nfs/dbraw/zinc/91/32/19/957913219.db2.gz DOKRMDACVFWDIK-CYBMUJFWSA-N 2 0 267.417 1.082 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001494828277 972317740 /nfs/dbraw/zinc/31/77/40/972317740.db2.gz CMCQUBOTLKGPIY-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001318428590 958101940 /nfs/dbraw/zinc/10/19/40/958101940.db2.gz KMUXWTLUCNNUOO-JKSUJKDBSA-N 2 0 293.455 1.663 10 30 CDEERP C=CCOCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001494861460 972324909 /nfs/dbraw/zinc/32/49/09/972324909.db2.gz BOBKRDYTSBQRJQ-HUUCEWRRSA-N 2 0 297.443 1.062 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001319221888 958442613 /nfs/dbraw/zinc/44/26/13/958442613.db2.gz KIZCAPCSOWRLLG-OAHLLOKOSA-N 2 0 293.455 1.474 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001319775156 958722621 /nfs/dbraw/zinc/72/26/21/958722621.db2.gz QTIGGWXLPVFYKK-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001319786600 958727732 /nfs/dbraw/zinc/72/77/32/958727732.db2.gz AHGBIWRYGXPFKM-HNNXBMFYSA-N 2 0 291.439 1.629 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001321084007 959583496 /nfs/dbraw/zinc/58/34/96/959583496.db2.gz NESJOYLXUCUSHR-IYKSTZQJSA-N 2 0 279.428 1.699 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001322243181 960149596 /nfs/dbraw/zinc/14/95/96/960149596.db2.gz CMQVHDATJUCONY-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001322793362 960322583 /nfs/dbraw/zinc/32/25/83/960322583.db2.gz SFARSAUGBPDGJP-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419622816 961883067 /nfs/dbraw/zinc/88/30/67/961883067.db2.gz DZJDNEPPAIPGQN-UONOGXRCSA-N 2 0 299.846 1.661 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001420336457 962762264 /nfs/dbraw/zinc/76/22/64/962762264.db2.gz AHRQMVYIHDYPQH-ZYHUDNBSSA-N 2 0 273.808 1.175 10 30 CDEERP C=C(Cl)CN1CC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001420568672 963071124 /nfs/dbraw/zinc/07/11/24/963071124.db2.gz WEUYKCNWHUPDMG-KGLIPLIRSA-N 2 0 299.846 1.519 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCCC1 ZINC001340897849 963180419 /nfs/dbraw/zinc/18/04/19/963180419.db2.gz XDDQIZWPFOMOHY-GFCCVEGCSA-N 2 0 253.390 1.448 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCCC1 ZINC001340897851 963180517 /nfs/dbraw/zinc/18/05/17/963180517.db2.gz XDDQIZWPFOMOHY-LBPRGKRZSA-N 2 0 253.390 1.448 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001448773485 967250509 /nfs/dbraw/zinc/25/05/09/967250509.db2.gz OUHFXBDDVQQDIL-CHWSQXEVSA-N 2 0 287.835 1.517 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480515442 968050055 /nfs/dbraw/zinc/05/00/55/968050055.db2.gz GGOBXQJOZCEATP-LBPRGKRZSA-N 2 0 287.835 1.708 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001496144319 972812833 /nfs/dbraw/zinc/81/28/33/972812833.db2.gz HDEZTXZLNDQROI-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001496904938 973139359 /nfs/dbraw/zinc/13/93/59/973139359.db2.gz OTJAXLOQFQNBCJ-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497222280 973251567 /nfs/dbraw/zinc/25/15/67/973251567.db2.gz VGVSGPDTFNLHKI-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001497447632 973352547 /nfs/dbraw/zinc/35/25/47/973352547.db2.gz NFDWFKQKHJRVPG-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001498771567 974056724 /nfs/dbraw/zinc/05/67/24/974056724.db2.gz WBYKESDEAXONSM-AWEZNQCLSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001499618681 974274956 /nfs/dbraw/zinc/27/49/56/974274956.db2.gz FOBBAQCKMJPFAO-KRWDZBQOSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001500347523 974426567 /nfs/dbraw/zinc/42/65/67/974426567.db2.gz HVZHKBMJALAWFW-WBVHZDCISA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001501188173 974546070 /nfs/dbraw/zinc/54/60/70/974546070.db2.gz DILABACAWKBONR-WKILWMFISA-N 2 0 293.455 1.474 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001501638448 974615393 /nfs/dbraw/zinc/61/53/93/974615393.db2.gz WSPQLDGSPPGZOL-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001502831822 974792773 /nfs/dbraw/zinc/79/27/73/974792773.db2.gz FYHQFJRAVOLJGF-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001503023146 974810152 /nfs/dbraw/zinc/81/01/52/974810152.db2.gz KVUWIGSHKXPBND-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCC(=C)C ZINC001505938194 975051349 /nfs/dbraw/zinc/05/13/49/975051349.db2.gz UTYSZVBIKRGORQ-HOTGVXAUSA-N 2 0 291.439 1.487 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001379326356 975769012 /nfs/dbraw/zinc/76/90/12/975769012.db2.gz IFHRMZOLIRXIJQ-GFCCVEGCSA-N 2 0 275.824 1.516 10 30 CDEERP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001675139543 1174079908 /nfs/dbraw/zinc/07/99/08/1174079908.db2.gz FMUIXARKDDYLBU-HZPDHXFCSA-N 2 0 293.455 1.424 10 30 CDEERP C#CCC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001675343756 1174104180 /nfs/dbraw/zinc/10/41/80/1174104180.db2.gz UZFGPJZBGSEMAU-AWEZNQCLSA-N 2 0 293.455 1.424 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001676222571 1174194396 /nfs/dbraw/zinc/19/43/96/1174194396.db2.gz UPGPBEIQKBKKKZ-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)CC1(C)C ZINC001677004817 1174307202 /nfs/dbraw/zinc/30/72/02/1174307202.db2.gz ZEIIBJCLFCBFGZ-KGLIPLIRSA-N 2 0 297.418 1.126 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001677253714 1174342476 /nfs/dbraw/zinc/34/24/76/1174342476.db2.gz ZSBZGNFLYCIZRD-LSDHHAIUSA-N 2 0 291.439 1.082 10 30 CDEERP C#CCC[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001570265307 1170123707 /nfs/dbraw/zinc/12/37/07/1170123707.db2.gz HXZLZMRDYJJMOS-UHFFFAOYSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001570363543 1170143298 /nfs/dbraw/zinc/14/32/98/1170143298.db2.gz CRIKZZUCFXMQTD-UONOGXRCSA-N 2 0 267.417 1.339 10 30 CDEERP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001571023431 1170329979 /nfs/dbraw/zinc/32/99/79/1170329979.db2.gz QKCHDNVCZCAOBP-JYJNAYRXSA-N 2 0 291.439 1.177 10 30 CDEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001571324038 1170364397 /nfs/dbraw/zinc/36/43/97/1170364397.db2.gz XPISDKCVWXORNB-RDJZCZTQSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[C@@H]1CC[C@H]([NH2+]CC(=O)N2CCN(C)CC2)C1 ZINC000651690332 398151753 /nfs/dbraw/zinc/15/17/53/398151753.db2.gz APISXKGXCNGWJJ-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP N#CCCC[C@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000592112313 342666057 /nfs/dbraw/zinc/66/60/57/342666057.db2.gz KTJRKYUXXODSOU-ZDUSSCGKSA-N 2 0 284.323 1.227 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000594435654 342899118 /nfs/dbraw/zinc/89/91/18/342899118.db2.gz IICHVQDRTMTVMD-KKUMJFAQSA-N 2 0 292.427 1.246 10 30 CDEERP C[NH+](C)CC(C)(C)CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594446863 342909033 /nfs/dbraw/zinc/90/90/33/342909033.db2.gz YKUJSVASYSUDKQ-GFCCVEGCSA-N 2 0 268.405 1.102 10 30 CDEERP C[C@@H]1CC2(CN1C(=O)[C@H]([NH3+])CCCCC#N)CC[NH2+]CC2 ZINC000594450280 342909839 /nfs/dbraw/zinc/90/98/39/342909839.db2.gz WPWWPBKQNHIRLP-ZIAGYGMSSA-N 2 0 292.427 1.388 10 30 CDEERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594425157 342904266 /nfs/dbraw/zinc/90/42/66/342904266.db2.gz KDWKYKXQVHOKGI-XQQFMLRXSA-N 2 0 266.389 1.126 10 30 CDEERP CC(C)(CCC#N)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000597235196 343490486 /nfs/dbraw/zinc/49/04/86/343490486.db2.gz FUKPKLXSHGJKPY-HNNXBMFYSA-N 2 0 279.428 1.847 10 30 CDEERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000600712212 349877038 /nfs/dbraw/zinc/87/70/38/349877038.db2.gz UWTZTMWHGFRZRK-NSHDSACASA-N 2 0 265.332 1.584 10 30 CDEERP C=CCN1CC[C@H](N2[C@@H](C)[C@H](C)CC[C@H]2C[NH3+])C1=O ZINC000641810494 365898908 /nfs/dbraw/zinc/89/89/08/365898908.db2.gz XNOWJLCIYGZCBM-RFGFWPKPSA-N 2 0 265.401 1.221 10 30 CDEERP C=CCN1CC[C@@H]([NH+]2CCC(C[NH+](CC)CC)CC2)C1=O ZINC000337138706 360003041 /nfs/dbraw/zinc/00/30/41/360003041.db2.gz PHWLJTLVTKAWNS-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626970714 367107178 /nfs/dbraw/zinc/10/71/78/367107178.db2.gz QLQJBPVEZKDGKZ-UKRRQHHQSA-N 2 0 294.443 1.467 10 30 CDEERP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)N(C)CCC#N)CCN1C ZINC000092799320 378002212 /nfs/dbraw/zinc/00/22/12/378002212.db2.gz UHGVQDMGUGZIPT-KBPBESRZSA-N 2 0 280.416 1.163 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001662424090 1172547716 /nfs/dbraw/zinc/54/77/16/1172547716.db2.gz ITHIZLGQIJJDNP-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001663013683 1172628203 /nfs/dbraw/zinc/62/82/03/1172628203.db2.gz ASALDXXCBXVWFM-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001663664954 1172744999 /nfs/dbraw/zinc/74/49/99/1172744999.db2.gz WBZNUIYSMGLILA-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423184650 397602245 /nfs/dbraw/zinc/60/22/45/397602245.db2.gz MMBMRLUPFOSITN-ZDUSSCGKSA-N 2 0 290.386 1.643 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001664186066 1172822120 /nfs/dbraw/zinc/82/21/20/1172822120.db2.gz JJNIMBJZVFMNHQ-UHFFFAOYSA-N 2 0 267.417 1.036 10 30 CDEERP C=CC[C@@]1(C(=O)NC2CC[NH+](CC3CC3)CC2)CCC[NH2+]1 ZINC000662682246 413307431 /nfs/dbraw/zinc/30/74/31/413307431.db2.gz PDRYAKIQXMDUIK-KRWDZBQOSA-N 2 0 291.439 1.675 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC(CC[NH3+])CC2)CCC[NH2+]1 ZINC000662829422 413560815 /nfs/dbraw/zinc/56/08/15/413560815.db2.gz DCAYEEGBJGWUGS-OAHLLOKOSA-N 2 0 265.401 1.272 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657494654 414393305 /nfs/dbraw/zinc/39/33/05/414393305.db2.gz DPERHVZXODTTGG-BBRMVZONSA-N 2 0 284.363 1.948 10 30 CDEERP C=CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C)COC ZINC000662298812 414623942 /nfs/dbraw/zinc/62/39/42/414623942.db2.gz HGHLBZRZHKHBJE-OLZOCXBDSA-N 2 0 254.374 1.030 10 30 CDEERP C[NH+](C)C(C)(C)CNC(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000043583181 175070533 /nfs/dbraw/zinc/07/05/33/175070533.db2.gz XGQJTAILBLCYMJ-UHFFFAOYSA-N 2 0 291.370 1.206 10 30 CDEERP NC(=O)C[N@H+](Cc1ccc(C#CC[NH3+])s1)C1CCCC1 ZINC000043684133 175092733 /nfs/dbraw/zinc/09/27/33/175092733.db2.gz LCBVXHXOAHOFJM-UHFFFAOYSA-N 2 0 291.420 1.288 10 30 CDEERP [NH3+]CC#Cc1cccc(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000062081291 175662061 /nfs/dbraw/zinc/66/20/61/175662061.db2.gz LBQAJZHVRGJZSH-UHFFFAOYSA-N 2 0 285.391 1.213 10 30 CDEERP C[N@@H+](Cc1cccc(C#CC[NH3+])c1)C[C@@H]1CC[NH+](C)C1 ZINC000071190480 176066554 /nfs/dbraw/zinc/06/65/54/176066554.db2.gz UOYYQEMMKQSZPR-QGZVFWFLSA-N 3 0 271.408 1.380 10 30 CDEERP CN(C)C(=[NH2+])NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162455976 262330122 /nfs/dbraw/zinc/33/01/22/262330122.db2.gz PNCQUUBPTDAKGC-INIZCTEOSA-N 2 0 274.412 1.917 10 30 CDEERP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662291938 423919871 /nfs/dbraw/zinc/91/98/71/423919871.db2.gz ATGPHWHNLGPFKI-JKSUJKDBSA-N 2 0 291.439 1.485 10 30 CDEERP C=CC[C@]1(C(=O)N(C)CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662820849 424508457 /nfs/dbraw/zinc/50/84/57/424508457.db2.gz DDBBVHTVMPPTIH-MRXNPFEDSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)Cc1[nH]cnc1C ZINC001669724254 1173590929 /nfs/dbraw/zinc/59/09/29/1173590929.db2.gz LLUBGAUYNVKHMH-NSHDSACASA-N 2 0 264.373 1.321 10 30 CDEERP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001671912391 1173722578 /nfs/dbraw/zinc/72/25/78/1173722578.db2.gz MSJXFYDEUYBUNM-KRWDZBQOSA-N 2 0 293.455 1.570 10 30 CDEERP CC#CCC[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188316368 329366163 /nfs/dbraw/zinc/36/61/63/329366163.db2.gz NMCHDNOLEXCCGH-SFHVURJKSA-N 2 0 286.419 1.969 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC12CCOCC2 ZINC000262852470 330035328 /nfs/dbraw/zinc/03/53/28/330035328.db2.gz XETGDPHGDDHXPA-KGLIPLIRSA-N 2 0 294.443 1.192 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001483337629 1160907288 /nfs/dbraw/zinc/90/72/88/1160907288.db2.gz MVNAARJTTHETAG-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000742721124 576614071 /nfs/dbraw/zinc/61/40/71/576614071.db2.gz WUEZLFAGNDXSBZ-UYTSQGDYSA-N 2 0 289.423 1.216 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001690199568 1175401562 /nfs/dbraw/zinc/40/15/62/1175401562.db2.gz UWXKGRJSXNSXDZ-MRXNPFEDSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850883 617886655 /nfs/dbraw/zinc/88/66/55/617886655.db2.gz COFPTRLILHAPRL-MELADBBJSA-N 2 0 280.412 1.862 10 30 CDEERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902839268 625492322 /nfs/dbraw/zinc/49/23/22/625492322.db2.gz PWLPINIKAFNVHM-HIFRSBDPSA-N 2 0 290.411 1.961 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000900273494 622860077 /nfs/dbraw/zinc/86/00/77/622860077.db2.gz ZTOWDVRARXJFPW-CYBMUJFWSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000900406429 623011621 /nfs/dbraw/zinc/01/16/21/623011621.db2.gz QDZGVZVZAQMQPF-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000901284302 624110103 /nfs/dbraw/zinc/11/01/03/624110103.db2.gz ADFIONKAXPAIHF-QWHCGFSZSA-N 2 0 253.390 1.045 10 30 CDEERP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)ccc1C#N ZINC000903968243 626172733 /nfs/dbraw/zinc/17/27/33/626172733.db2.gz RYNQVUVTENRVFC-RISCZKNCSA-N 2 0 259.353 1.512 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000907758220 627819330 /nfs/dbraw/zinc/81/93/30/627819330.db2.gz ZMTPVGAQEOIGCJ-HNNXBMFYSA-N 2 0 297.443 1.111 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000909285069 628612649 /nfs/dbraw/zinc/61/26/49/628612649.db2.gz JIPKBQPFUJKXQJ-UHFFFAOYSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000911202400 629200003 /nfs/dbraw/zinc/20/00/03/629200003.db2.gz WWOHTRBZSXCVGE-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000912683988 630142741 /nfs/dbraw/zinc/14/27/41/630142741.db2.gz PYZDTVHLAPXXKA-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001691968115 1158506674 /nfs/dbraw/zinc/50/66/74/1158506674.db2.gz BPYOTVTZJJGSSD-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001772513975 1158528888 /nfs/dbraw/zinc/52/88/88/1158528888.db2.gz AKWLAQYVSZUXSO-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C[C@@H](CCNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC000181378378 679804113 /nfs/dbraw/zinc/80/41/13/679804113.db2.gz AEWJMTDRJPWIRH-KBPBESRZSA-N 2 0 282.432 1.334 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877138990 679859303 /nfs/dbraw/zinc/85/93/03/679859303.db2.gz UZMSBIQWVZYBQN-YNEHKIRRSA-N 2 0 279.771 1.910 10 30 CDEERP C=C(C)[C@H](CO)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260559 681191845 /nfs/dbraw/zinc/19/18/45/681191845.db2.gz QCRLJFQFMDXLQH-ZFWWWQNUSA-N 2 0 261.369 1.529 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000876838225 681943682 /nfs/dbraw/zinc/94/36/82/681943682.db2.gz KDDLUPJAHALWPF-OLZOCXBDSA-N 2 0 294.786 1.024 10 30 CDEERP CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)cn2)C[C@@H]([NH3+])C1 ZINC000925672793 682204329 /nfs/dbraw/zinc/20/43/29/682204329.db2.gz JQKKCQNAASEZSM-OCCSQVGLSA-N 2 0 258.369 1.949 10 30 CDEERP C#CCC(C)(C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020038 682390308 /nfs/dbraw/zinc/39/03/08/682390308.db2.gz ZZURFVFLDUWHQU-HUUCEWRRSA-N 2 0 293.455 1.234 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000876531326 682574509 /nfs/dbraw/zinc/57/45/09/682574509.db2.gz CIZNXDDYNBWZQD-ZDUSSCGKSA-N 2 0 279.771 1.741 10 30 CDEERP C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000262005953 682658229 /nfs/dbraw/zinc/65/82/29/682658229.db2.gz VPNDXRQZRFGJNK-BARDWOONSA-N 2 0 296.459 1.041 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000876532939 682763149 /nfs/dbraw/zinc/76/31/49/682763149.db2.gz NCJPOSXKQFWRDQ-RYUDHWBXSA-N 2 0 273.808 1.480 10 30 CDEERP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703920 683111128 /nfs/dbraw/zinc/11/11/28/683111128.db2.gz QDONDZBIKVAONK-QGZVFWFLSA-N 2 0 293.455 1.884 10 30 CDEERP C[C@@H]1C[NH+]=C(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)N1 ZINC000262681314 683395229 /nfs/dbraw/zinc/39/52/29/683395229.db2.gz WJPXFWFXZSNADA-RHSMWYFYSA-N 2 0 286.423 1.978 10 30 CDEERP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925655845 683461186 /nfs/dbraw/zinc/46/11/86/683461186.db2.gz LYPVWGGCBZYQQZ-RQJABVFESA-N 2 0 250.386 1.827 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000876768286 683531094 /nfs/dbraw/zinc/53/10/94/683531094.db2.gz HDQFOZCBXIOIHD-SRVKXCTJSA-N 2 0 273.808 1.445 10 30 CDEERP CCC(C)(C)[NH+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852896786 683748465 /nfs/dbraw/zinc/74/84/65/683748465.db2.gz IIYRBGSZICSTFR-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878914385 683852107 /nfs/dbraw/zinc/85/21/07/683852107.db2.gz CAYRERBFNYXOLV-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[C@H](C(=O)OC)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250276 683979593 /nfs/dbraw/zinc/97/95/93/683979593.db2.gz BMXDCVQUTDNTOV-CQSZACIVSA-N 2 0 280.412 1.912 10 30 CDEERP C=CC[C@@H](C(=O)OC)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000877988790 684000779 /nfs/dbraw/zinc/00/07/79/684000779.db2.gz LPQZGFPDYSPOKI-AWEZNQCLSA-N 2 0 268.401 1.768 10 30 CDEERP C[NH+]=C(NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)NC1CC1 ZINC000849046846 684052353 /nfs/dbraw/zinc/05/23/53/684052353.db2.gz XOZHRZRGKUKRID-ZBFHGGJFSA-N 2 0 286.423 1.659 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001691365196 1159035346 /nfs/dbraw/zinc/03/53/46/1159035346.db2.gz RNLWGHKIYXGTGJ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001772513974 1158529346 /nfs/dbraw/zinc/52/93/46/1158529346.db2.gz AKWLAQYVSZUXSO-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691623528 1160721613 /nfs/dbraw/zinc/72/16/13/1160721613.db2.gz ZSNJVSNDOXSCOQ-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC001624310122 1165834693 /nfs/dbraw/zinc/83/46/93/1165834693.db2.gz BLKGNZRHXOBOFJ-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001635174421 1166564415 /nfs/dbraw/zinc/56/44/15/1166564415.db2.gz IIEFJUXCCKXCCT-MRXNPFEDSA-N 2 0 287.407 1.147 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001263275046 1167442355 /nfs/dbraw/zinc/44/23/55/1167442355.db2.gz UESFOAOYEHSZDR-WDEREUQCSA-N 2 0 259.781 1.057 10 30 CDEERP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001566692524 1168388825 /nfs/dbraw/zinc/38/88/25/1168388825.db2.gz IFYIWXOJMGFNSE-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001566860327 1168447170 /nfs/dbraw/zinc/44/71/70/1168447170.db2.gz VXPBMZLGBHAZOH-BBWFWOEESA-N 2 0 299.418 1.549 10 30 CDEERP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567714561 1168933156 /nfs/dbraw/zinc/93/31/56/1168933156.db2.gz OFOSRUWPRXHBHM-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001567921398 1169072659 /nfs/dbraw/zinc/07/26/59/1169072659.db2.gz WYKQWEXLWPQHHS-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001567982868 1169107675 /nfs/dbraw/zinc/10/76/75/1169107675.db2.gz QGAFYURCNLSQSV-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH+]1CCC(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001568131455 1169143801 /nfs/dbraw/zinc/14/38/01/1169143801.db2.gz GNYTUEPBQWZKNG-UHFFFAOYSA-N 2 0 291.439 1.324 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001569084776 1169636573 /nfs/dbraw/zinc/63/65/73/1169636573.db2.gz NYLVSYLZPZZIPD-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CC2CC2)CC1 ZINC001569152634 1169693534 /nfs/dbraw/zinc/69/35/34/1169693534.db2.gz FUKHYUHSFJCVEY-CQSZACIVSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001570534306 1170182102 /nfs/dbraw/zinc/18/21/02/1170182102.db2.gz GTHHXLWHCIISLC-LSDHHAIUSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001571466465 1170440965 /nfs/dbraw/zinc/44/09/65/1170440965.db2.gz VRPYRLNFHRPJKK-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001661792612 1172448546 /nfs/dbraw/zinc/44/85/46/1172448546.db2.gz BVNODTFFTXEUAT-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC001587293722 1172980477 /nfs/dbraw/zinc/98/04/77/1172980477.db2.gz JAWKEVDCFOYQLR-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001665362579 1172986142 /nfs/dbraw/zinc/98/61/42/1172986142.db2.gz FBMANRJXOGERTH-CQSZACIVSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001668117396 1173370589 /nfs/dbraw/zinc/37/05/89/1173370589.db2.gz HVUVFHZSZBQMPO-KGLIPLIRSA-N 2 0 290.411 1.506 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001673993317 1173905094 /nfs/dbraw/zinc/90/50/94/1173905094.db2.gz ISCNIKNOIFJYHP-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001674239560 1173926581 /nfs/dbraw/zinc/92/65/81/1173926581.db2.gz XMHNELVMFIKTPZ-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001674393062 1173938918 /nfs/dbraw/zinc/93/89/18/1173938918.db2.gz MGMKLXMWTUCUAA-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001689110073 1175098508 /nfs/dbraw/zinc/09/85/08/1175098508.db2.gz FLBAQGJJIVKYQA-PMPSAXMXSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001690574548 1175509269 /nfs/dbraw/zinc/50/92/69/1175509269.db2.gz CKYCWCVDJYQWBQ-STQMWFEESA-N 2 0 253.390 1.140 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001690818237 1175581200 /nfs/dbraw/zinc/58/12/00/1175581200.db2.gz CIPOPRYHQIBSRC-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C[NH+]1CCCC1 ZINC001698625624 1175877457 /nfs/dbraw/zinc/87/74/57/1175877457.db2.gz ZEOVOIFCQWKDJQ-ZDUSSCGKSA-N 2 0 253.390 1.143 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001698861185 1175967359 /nfs/dbraw/zinc/96/73/59/1175967359.db2.gz NAJBJAFGWLGAHY-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@H+](C)C(C)C ZINC001698878914 1175975926 /nfs/dbraw/zinc/97/59/26/1175975926.db2.gz OMLGAFXTYYLKDY-HNNXBMFYSA-N 2 0 281.444 1.470 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001699459431 1176423738 /nfs/dbraw/zinc/42/37/38/1176423738.db2.gz GFVTUCJLESKFPH-AWEZNQCLSA-N 2 0 281.444 1.424 10 30 CDEERP C#CCC[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001699642542 1176539710 /nfs/dbraw/zinc/53/97/10/1176539710.db2.gz NODNDIZFXBTUTG-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001699683100 1176566527 /nfs/dbraw/zinc/56/65/27/1176566527.db2.gz XCEBWKTWPRUTGY-CVEARBPZSA-N 2 0 293.455 1.968 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001699833766 1176648666 /nfs/dbraw/zinc/64/86/66/1176648666.db2.gz DGICBLDTROZGMB-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001699837524 1176651165 /nfs/dbraw/zinc/65/11/65/1176651165.db2.gz PZCKDLTXCPBJSR-RDJZCZTQSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001699840638 1176651643 /nfs/dbraw/zinc/65/16/43/1176651643.db2.gz LXUCPXHSTFHONK-NVXWUHKLSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001699962190 1176699639 /nfs/dbraw/zinc/69/96/39/1176699639.db2.gz CKHZRXKHKYTQBO-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001700447621 1176932486 /nfs/dbraw/zinc/93/24/86/1176932486.db2.gz GXKANKUDLVZTCK-HNNXBMFYSA-N 2 0 293.455 1.426 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001707083041 1177944063 /nfs/dbraw/zinc/94/40/63/1177944063.db2.gz ZUXIZIYEJJIPOE-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001707247443 1177979808 /nfs/dbraw/zinc/97/98/08/1177979808.db2.gz QOALIVRBDVBJQS-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001707408972 1178025857 /nfs/dbraw/zinc/02/58/57/1178025857.db2.gz PCXUQNJIBWFRKM-UHFFFAOYSA-N 2 0 269.433 1.588 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001713415604 1178547133 /nfs/dbraw/zinc/54/71/33/1178547133.db2.gz DOGOOPAXLRIUID-ILXRZTDVSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001713477576 1178592443 /nfs/dbraw/zinc/59/24/43/1178592443.db2.gz VUMNELZPXFKKLK-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001713517855 1178619841 /nfs/dbraw/zinc/61/98/41/1178619841.db2.gz SADOXJCQCDFZAB-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[N@H+](CCC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001713551159 1178641123 /nfs/dbraw/zinc/64/11/23/1178641123.db2.gz CLAULKLYOKXCKP-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001713683941 1178707929 /nfs/dbraw/zinc/70/79/29/1178707929.db2.gz GDIOESDOVSFEBP-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713730180 1178727475 /nfs/dbraw/zinc/72/74/75/1178727475.db2.gz KTIBETGVVCBCEG-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)CC[N@@H+](C)CCC)CCCC1 ZINC001714149184 1178990810 /nfs/dbraw/zinc/99/08/10/1178990810.db2.gz VZQCIYUDHJKVCP-UHFFFAOYSA-N 2 0 293.455 1.760 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714362562 1179105077 /nfs/dbraw/zinc/10/50/77/1179105077.db2.gz XPIOZRURSQMZKC-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001714539102 1179193564 /nfs/dbraw/zinc/19/35/64/1179193564.db2.gz FRVABNBCMKQEOL-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001714539106 1179194073 /nfs/dbraw/zinc/19/40/73/1179194073.db2.gz FRVABNBCMKQEOL-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001714839051 1179417494 /nfs/dbraw/zinc/41/74/94/1179417494.db2.gz FBJZWGXIJHMIAX-INIZCTEOSA-N 2 0 285.391 1.163 10 30 CDEERP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001714992291 1179496086 /nfs/dbraw/zinc/49/60/86/1179496086.db2.gz IBKZLPFEGJNGJW-GJZGRUSLSA-N 2 0 289.423 1.334 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715076552 1179541631 /nfs/dbraw/zinc/54/16/31/1179541631.db2.gz SZUIVDVIUFTWLS-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715317614 1179621061 /nfs/dbraw/zinc/62/10/61/1179621061.db2.gz UXHCEGJPUPUOQQ-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001715598476 1179728749 /nfs/dbraw/zinc/72/87/49/1179728749.db2.gz RXCHJQDOIPTUMS-QWHCGFSZSA-N 2 0 255.406 1.243 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001715820594 1179848367 /nfs/dbraw/zinc/84/83/67/1179848367.db2.gz YTSYRIUMRRFQHN-LQYUOIDQSA-N 2 0 277.412 1.145 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)C1CCC1 ZINC001715825688 1179852253 /nfs/dbraw/zinc/85/22/53/1179852253.db2.gz KNDHTBYFIDLGTD-PLNGDYQASA-N 2 0 265.401 1.309 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001716038281 1180012119 /nfs/dbraw/zinc/01/21/19/1180012119.db2.gz MGJBTTZKXZHGMN-ILXRZTDVSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001717336056 1180620061 /nfs/dbraw/zinc/62/00/61/1180620061.db2.gz NCRUZCZXQUPFPT-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[N@@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001717490518 1180704863 /nfs/dbraw/zinc/70/48/63/1180704863.db2.gz OQKZGDJFWLHBQU-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001717497230 1180710067 /nfs/dbraw/zinc/71/00/67/1180710067.db2.gz AIFZJGHGESXKBG-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001717880835 1180910227 /nfs/dbraw/zinc/91/02/27/1180910227.db2.gz IWWUCEHSDWZTDV-CVEARBPZSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001717884082 1180912695 /nfs/dbraw/zinc/91/26/95/1180912695.db2.gz HAFNLUGAWIZPQC-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001717971335 1180952106 /nfs/dbraw/zinc/95/21/06/1180952106.db2.gz JMYHCNSYBJCIRG-KGLIPLIRSA-N 2 0 279.428 1.082 10 30 CDEERP C#CC[N@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001718028132 1180975306 /nfs/dbraw/zinc/97/53/06/1180975306.db2.gz HLODSARYQQMHEH-INIZCTEOSA-N 2 0 291.439 1.488 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001724551319 1181693924 /nfs/dbraw/zinc/69/39/24/1181693924.db2.gz AKDRPINIMSMCPR-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001724840759 1181771069 /nfs/dbraw/zinc/77/10/69/1181771069.db2.gz BEDDMJCRTMUIEU-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001725063614 1181841775 /nfs/dbraw/zinc/84/17/75/1181841775.db2.gz CNIIEBTVHUQDJY-NRXISQOPSA-N 2 0 279.428 1.530 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725233800 1181929975 /nfs/dbraw/zinc/92/99/75/1181929975.db2.gz YFAZFJWJGYFYGA-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725390840 1181985510 /nfs/dbraw/zinc/98/55/10/1181985510.db2.gz XMQGHOTZAXUQPC-GOEBONIOSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001725445077 1182001928 /nfs/dbraw/zinc/00/19/28/1182001928.db2.gz JZMKFKHEVCSLKW-OAHLLOKOSA-N 2 0 279.428 1.082 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]1C ZINC001725686881 1182097259 /nfs/dbraw/zinc/09/72/59/1182097259.db2.gz WKKGLOCORDLZPD-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001725823195 1182143866 /nfs/dbraw/zinc/14/38/66/1182143866.db2.gz FDBQJWYPYJLWCA-AWEZNQCLSA-N 2 0 265.401 1.261 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001731350113 1182331937 /nfs/dbraw/zinc/33/19/37/1182331937.db2.gz ZITNQTNSSMEGBQ-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001731660673 1182507599 /nfs/dbraw/zinc/50/75/99/1182507599.db2.gz UIYSMIZTDJPNIL-ZBFHGGJFSA-N 2 0 291.439 1.342 10 30 CDEERP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001732051911 1182740289 /nfs/dbraw/zinc/74/02/89/1182740289.db2.gz BQUOZJSKAYTPAR-JKSUJKDBSA-N 2 0 293.455 1.424 10 30 CDEERP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)Cn1ccnc1C ZINC001732472002 1182981443 /nfs/dbraw/zinc/98/14/43/1182981443.db2.gz MUTBRSZDKPODMU-HNNXBMFYSA-N 2 0 290.411 1.335 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001732612938 1183048449 /nfs/dbraw/zinc/04/84/49/1183048449.db2.gz LHFBXKIZLACPTA-GDBMZVCRSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001732741188 1183105090 /nfs/dbraw/zinc/10/50/90/1183105090.db2.gz RPJWXSUYICHEAE-AWEZNQCLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001733046087 1183261601 /nfs/dbraw/zinc/26/16/01/1183261601.db2.gz VNUWIEWLZBXVFW-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001733336656 1183400652 /nfs/dbraw/zinc/40/06/52/1183400652.db2.gz XOCOACBVQLIZBJ-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001733446274 1183434924 /nfs/dbraw/zinc/43/49/24/1183434924.db2.gz UDBQMZJGSUOCQG-DOTOQJQBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001733857303 1183552643 /nfs/dbraw/zinc/55/26/43/1183552643.db2.gz IVHUSYSDURXMQU-CABCVRRESA-N 2 0 291.439 1.485 10 30 CDEERP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001734039296 1183629846 /nfs/dbraw/zinc/62/98/46/1183629846.db2.gz KAYXXOBCKQDSSV-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)CC[NH+](C)C)C(C)C ZINC001734080253 1183649991 /nfs/dbraw/zinc/64/99/91/1183649991.db2.gz JDMXBVJQIQIRGO-CQSZACIVSA-N 2 0 267.417 1.034 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001734122456 1183666445 /nfs/dbraw/zinc/66/64/45/1183666445.db2.gz QSNCMVOVQQWLLQ-AWEZNQCLSA-N 2 0 295.471 1.977 10 30 CDEERP C#CCC[N@@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001734272992 1183710158 /nfs/dbraw/zinc/71/01/58/1183710158.db2.gz XXAWKNDJAOAGQT-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001734345890 1183741836 /nfs/dbraw/zinc/74/18/36/1183741836.db2.gz NBWSGQFBKGIZCV-AWEZNQCLSA-N 2 0 289.423 1.984 10 30 CDEERP CC#CC[N@H+](C)CCN(C(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001734551947 1183822686 /nfs/dbraw/zinc/82/26/86/1183822686.db2.gz LSLGBOUOBXFONN-UHFFFAOYSA-N 2 0 293.455 1.520 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405343777 975719543 /nfs/dbraw/zinc/71/95/43/975719543.db2.gz MGCLGEQEFTUZJR-VXGBXAGGSA-N 2 0 273.808 1.175 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001570571938 1167577066 /nfs/dbraw/zinc/57/70/66/1167577066.db2.gz MCOUJYYRFYHAQO-YMAMQOFZSA-N 2 0 279.428 1.080 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001566479798 1167967814 /nfs/dbraw/zinc/96/78/14/1167967814.db2.gz DGRZQXVSRARKDY-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001566825800 1168432667 /nfs/dbraw/zinc/43/26/67/1168432667.db2.gz BEZAROFWUVHQOW-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001567177228 1168605640 /nfs/dbraw/zinc/60/56/40/1168605640.db2.gz SRMWSQNUKKHYDV-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567196765 1168615278 /nfs/dbraw/zinc/61/52/78/1168615278.db2.gz PZCPGRLETCYTMC-AWEZNQCLSA-N 2 0 279.428 1.437 10 30 CDEERP C#CCC[N@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001567320095 1168677360 /nfs/dbraw/zinc/67/73/60/1168677360.db2.gz HEOQCTPDNROXOA-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001122096728 913439143 /nfs/dbraw/zinc/43/91/43/913439143.db2.gz URZXBXKAEDFIFG-AWEZNQCLSA-N 2 0 289.379 1.791 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567404455 1168738674 /nfs/dbraw/zinc/73/86/74/1168738674.db2.gz YAVIMAHJYWSRQQ-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001567449263 1168770089 /nfs/dbraw/zinc/77/00/89/1168770089.db2.gz RXYCGKFSSVDGJN-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266465740 894987544 /nfs/dbraw/zinc/98/75/44/894987544.db2.gz BBEFJSDXAMRZQO-OAHLLOKOSA-N 2 0 291.439 1.132 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001266488652 895041583 /nfs/dbraw/zinc/04/15/83/895041583.db2.gz MXKMKIWCJKNGOE-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001266517480 895195083 /nfs/dbraw/zinc/19/50/83/895195083.db2.gz KICUVBJWKKTRGP-HUUCEWRRSA-N 2 0 297.418 1.128 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001266879993 896270866 /nfs/dbraw/zinc/27/08/66/896270866.db2.gz FEPZZMAFYPMQER-HNNXBMFYSA-N 2 0 289.423 1.076 10 30 CDEERP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266888121 896280767 /nfs/dbraw/zinc/28/07/67/896280767.db2.gz BOHRQTPFXBSMQP-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267255517 897351384 /nfs/dbraw/zinc/35/13/84/897351384.db2.gz JLSNRZYDPMCJIN-CQSZACIVSA-N 2 0 267.417 1.034 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001267317587 897575135 /nfs/dbraw/zinc/57/51/35/897575135.db2.gz GAFZWRBKVKISQP-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267695371 899310022 /nfs/dbraw/zinc/31/00/22/899310022.db2.gz TZOGNHQTASVBHX-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001267860432 899888101 /nfs/dbraw/zinc/88/81/01/899888101.db2.gz WBYLUQHCQWGBKD-WBVHZDCISA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001267933383 900000912 /nfs/dbraw/zinc/00/09/12/900000912.db2.gz HKRNFGXUTXFDJS-SHTZXODSSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001481363789 900496677 /nfs/dbraw/zinc/49/66/77/900496677.db2.gz VBPBTFJSFNQSJD-CVEARBPZSA-N 2 0 285.391 1.161 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001268036896 900697864 /nfs/dbraw/zinc/69/78/64/900697864.db2.gz DJFSHPRIQGJBEM-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268104583 901298078 /nfs/dbraw/zinc/29/80/78/901298078.db2.gz JMFGGNQTGMPLKL-UONOGXRCSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001268161691 901454294 /nfs/dbraw/zinc/45/42/94/901454294.db2.gz FSRXFVKPQXXMDZ-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001481922798 902335094 /nfs/dbraw/zinc/33/50/94/902335094.db2.gz MDGIJWQORVUFQF-ZFWWWQNUSA-N 2 0 265.401 1.141 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268555801 902555904 /nfs/dbraw/zinc/55/59/04/902555904.db2.gz LOQDRKFCYWCSPB-OKQSBHACSA-N 2 0 289.423 1.289 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482160341 902784558 /nfs/dbraw/zinc/78/45/58/902784558.db2.gz DBDPEWCLHGLFBH-ZDUSSCGKSA-N 2 0 265.401 1.000 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC(=C)Cl)CC1 ZINC001268673739 902933955 /nfs/dbraw/zinc/93/39/55/902933955.db2.gz IYADMEXPGVHGFJ-CYBMUJFWSA-N 2 0 297.830 1.178 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001271059125 905596686 /nfs/dbraw/zinc/59/66/86/905596686.db2.gz HITRSZXTCVYKKF-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001271286190 906229293 /nfs/dbraw/zinc/22/92/93/906229293.db2.gz QTWVAIGCVXJDGC-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001271836738 906879262 /nfs/dbraw/zinc/87/92/62/906879262.db2.gz CVIBCYCEAIQSQY-CABCVRRESA-N 2 0 279.428 1.245 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567915751 1169067883 /nfs/dbraw/zinc/06/78/83/1169067883.db2.gz XEPCJWHTXZPNSD-AWEZNQCLSA-N 2 0 277.412 1.027 10 30 CDEERP C=CCCC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001272992999 921342379 /nfs/dbraw/zinc/34/23/79/921342379.db2.gz GRPIKKUGEJCDTJ-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482833075 908410389 /nfs/dbraw/zinc/41/03/89/908410389.db2.gz LGNXKNIGKXDQOW-ZBFHGGJFSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001483198039 909959562 /nfs/dbraw/zinc/95/95/62/909959562.db2.gz VKLKMXXNAPUHOL-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001484727202 916087567 /nfs/dbraw/zinc/08/75/67/916087567.db2.gz PYVJQDRNWQADDV-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001484725036 916089272 /nfs/dbraw/zinc/08/92/72/916089272.db2.gz XFICUURHEPUQTM-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)CCc1c[nH]cn1 ZINC001484993694 916378336 /nfs/dbraw/zinc/37/83/36/916378336.db2.gz ZXTQTTVPYODHQY-NSHDSACASA-N 2 0 250.346 1.013 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001485059383 916459095 /nfs/dbraw/zinc/45/90/95/916459095.db2.gz GDUMHORTGSVXEY-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001485785812 917291250 /nfs/dbraw/zinc/29/12/50/917291250.db2.gz FSKFRDWZWIEZKK-ZIAGYGMSSA-N 2 0 267.417 1.080 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568273985 1169216651 /nfs/dbraw/zinc/21/66/51/1169216651.db2.gz QVPRWLURCJFDGF-MGPQQGTHSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486178413 920782718 /nfs/dbraw/zinc/78/27/18/920782718.db2.gz CRMHQLWWZXBZCU-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001486248818 920842628 /nfs/dbraw/zinc/84/26/28/920842628.db2.gz YOZINDLHWQKTRS-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491051075 936846811 /nfs/dbraw/zinc/84/68/11/936846811.db2.gz RQCYPJWYGCXCON-MCIONIFRSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001491496385 936925565 /nfs/dbraw/zinc/92/55/65/936925565.db2.gz VPRQLULPIGZXRD-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001568415525 1169279012 /nfs/dbraw/zinc/27/90/12/1169279012.db2.gz XZMHTMPBNBRQKG-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@@H]1C ZINC001495335001 926982055 /nfs/dbraw/zinc/98/20/55/926982055.db2.gz XLIYLUOZSTTWSP-DOTOQJQBSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001490330803 927128158 /nfs/dbraw/zinc/12/81/58/927128158.db2.gz LHFHTPUMMVTPHI-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001275849590 932091074 /nfs/dbraw/zinc/09/10/74/932091074.db2.gz HBJIJMMYXMVFMO-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC001122108356 937906084 /nfs/dbraw/zinc/90/60/84/937906084.db2.gz PCFDZUDVYQRCTB-WCQYABFASA-N 2 0 253.390 1.174 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001671246714 1169432909 /nfs/dbraw/zinc/43/29/09/1169432909.db2.gz WLMAOMBKYGVUIZ-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001276640544 940468231 /nfs/dbraw/zinc/46/82/31/940468231.db2.gz DAUXTVHVCUJARX-KGLIPLIRSA-N 2 0 265.401 1.141 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001281890526 942628925 /nfs/dbraw/zinc/62/89/25/942628925.db2.gz QPAZUPYFWOFEDV-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001282013946 942645056 /nfs/dbraw/zinc/64/50/56/942645056.db2.gz OYAUTCOZDDNLHW-YMAMQOFZSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001282310018 942685131 /nfs/dbraw/zinc/68/51/31/942685131.db2.gz CYMZWLIXFPUERT-UHFFFAOYSA-N 2 0 281.444 1.588 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001282397327 942704709 /nfs/dbraw/zinc/70/47/09/942704709.db2.gz DCLJZTTUGCEWSI-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)Cc2[nH]cnc2C)C1 ZINC001282739836 942747480 /nfs/dbraw/zinc/74/74/80/942747480.db2.gz WGXWTDQRFJCYRR-GFCCVEGCSA-N 2 0 290.411 1.663 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001283912446 943024501 /nfs/dbraw/zinc/02/45/01/943024501.db2.gz BYEABMMQLPCAQO-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001283938413 943032088 /nfs/dbraw/zinc/03/20/88/943032088.db2.gz IEJQKCFPIKIJGY-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[C@@H](O)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC001474692211 971032911 /nfs/dbraw/zinc/03/29/11/971032911.db2.gz AACAMLWCEGJVBX-MRXNPFEDSA-N 2 0 266.429 1.861 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001264145519 944087722 /nfs/dbraw/zinc/08/77/22/944087722.db2.gz FEWDRXSKYPRIBT-HIFRSBDPSA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001264187198 944096488 /nfs/dbraw/zinc/09/64/88/944096488.db2.gz IYCRWTNQMJDZKD-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001264733500 944170743 /nfs/dbraw/zinc/17/07/43/944170743.db2.gz FAAORKGMDQKVOV-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265230902 944286837 /nfs/dbraw/zinc/28/68/37/944286837.db2.gz NVUFWHHXHQTILV-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CCCC[NH+](C)C)CC1 ZINC001265334510 944349927 /nfs/dbraw/zinc/34/99/27/944349927.db2.gz SRBIQCQLPGUWTA-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001265553782 944427519 /nfs/dbraw/zinc/42/75/19/944427519.db2.gz BXBMLAZOZRRDTH-OAGGEKHMSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001265843913 944536987 /nfs/dbraw/zinc/53/69/87/944536987.db2.gz PBEAJOXRGQVWNG-AWEZNQCLSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265853025 944540618 /nfs/dbraw/zinc/54/06/18/944540618.db2.gz MCYQGQAHBZLJFY-CHWSQXEVSA-N 2 0 255.406 1.243 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001266149489 944715443 /nfs/dbraw/zinc/71/54/43/944715443.db2.gz XJVAVUZCEJSFIB-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001332199146 945856115 /nfs/dbraw/zinc/85/61/15/945856115.db2.gz NLHXUHBPTXVETK-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001479789478 971419466 /nfs/dbraw/zinc/41/94/66/971419466.db2.gz PUIURFCIDYFRBV-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001479846819 971450965 /nfs/dbraw/zinc/45/09/65/971450965.db2.gz CIMDPMQPGGNYRI-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001278979070 948462367 /nfs/dbraw/zinc/46/23/67/948462367.db2.gz SISSYIIAHAFEEF-CQSZACIVSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001479913877 971485669 /nfs/dbraw/zinc/48/56/69/971485669.db2.gz XBARQJLQZLZWTM-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001279017160 948607869 /nfs/dbraw/zinc/60/78/69/948607869.db2.gz IWGGPMALBOTNEE-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001480233386 971640698 /nfs/dbraw/zinc/64/06/98/971640698.db2.gz ZBDUGYLRFGSGDV-LVQVYYBASA-N 2 0 291.439 1.367 10 30 CDEERP C#CCC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480255211 971650191 /nfs/dbraw/zinc/65/01/91/971650191.db2.gz RNVORGAJDWWNBQ-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001480679602 971835468 /nfs/dbraw/zinc/83/54/68/971835468.db2.gz PLFYYIYTRKZQQB-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001480768332 971871109 /nfs/dbraw/zinc/87/11/09/971871109.db2.gz GPYNUZMSKZSLJM-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001324675773 953510335 /nfs/dbraw/zinc/51/03/35/953510335.db2.gz ZRGLJWIOVYEDDG-MRXNPFEDSA-N 2 0 279.428 1.629 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001325597781 953979408 /nfs/dbraw/zinc/97/94/08/953979408.db2.gz GDMJDZJTSCFKBI-CVEARBPZSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001328278047 955249195 /nfs/dbraw/zinc/24/91/95/955249195.db2.gz GURFNOLYXMGPAG-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001421752084 955523369 /nfs/dbraw/zinc/52/33/69/955523369.db2.gz FHFOIHSMCJPXIY-AAEUAGOBSA-N 2 0 287.835 1.423 10 30 CDEERP C=CCC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001491934216 955534856 /nfs/dbraw/zinc/53/48/56/955534856.db2.gz VZDNUNNERJGMEJ-INIZCTEOSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001493897180 972134709 /nfs/dbraw/zinc/13/47/09/972134709.db2.gz OSDUPAWYMXPWTM-INIZCTEOSA-N 2 0 287.407 1.409 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001494171925 972193753 /nfs/dbraw/zinc/19/37/53/972193753.db2.gz KZBZEHUOQGFOLH-HZPDHXFCSA-N 2 0 293.455 1.685 10 30 CDEERP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001480727145 956648934 /nfs/dbraw/zinc/64/89/34/956648934.db2.gz QMANETAAXXJDHN-GJZGRUSLSA-N 2 0 299.434 1.775 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001331492865 957100647 /nfs/dbraw/zinc/10/06/47/957100647.db2.gz ZRPKUKHDBOGGBR-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001317008541 957197469 /nfs/dbraw/zinc/19/74/69/957197469.db2.gz YKQKLJJGHMGJJH-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317096432 957267214 /nfs/dbraw/zinc/26/72/14/957267214.db2.gz FMKYVCWYFQOBOY-WKILWMFISA-N 2 0 291.439 1.513 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001317142781 957303053 /nfs/dbraw/zinc/30/30/53/957303053.db2.gz GRFTYMMYDTXVIW-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001317172297 957322802 /nfs/dbraw/zinc/32/28/02/957322802.db2.gz HRNTWDOGHZUMNL-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001317180924 957326835 /nfs/dbraw/zinc/32/68/35/957326835.db2.gz NGMXXVMWLLOACS-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001317336308 957427867 /nfs/dbraw/zinc/42/78/67/957427867.db2.gz HYXAUECAVJQTRL-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[N@H+](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317465312 957494925 /nfs/dbraw/zinc/49/49/25/957494925.db2.gz NLAOGHNOVULFGS-UHFFFAOYSA-N 2 0 287.407 1.433 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001318527985 958154024 /nfs/dbraw/zinc/15/40/24/958154024.db2.gz GXFUVOUHQHUXTD-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319622420 958658568 /nfs/dbraw/zinc/65/85/68/958658568.db2.gz SIBURVZQUUWKBJ-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001319642864 958669381 /nfs/dbraw/zinc/66/93/81/958669381.db2.gz KYJJBNHQZKZSJS-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCCC1 ZINC001319656147 958675392 /nfs/dbraw/zinc/67/53/92/958675392.db2.gz NALDASCESAWHPV-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320423877 959160451 /nfs/dbraw/zinc/16/04/51/959160451.db2.gz XBOSOZGYVXUVML-RRFJBIMHSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001495181273 972434437 /nfs/dbraw/zinc/43/44/37/972434437.db2.gz DJDHKTJPNUIDRU-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001495203396 972436755 /nfs/dbraw/zinc/43/67/55/972436755.db2.gz LTMDUFCIWFXXHU-UHFFFAOYSA-N 2 0 289.423 1.124 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001321084011 959582797 /nfs/dbraw/zinc/58/27/97/959582797.db2.gz NESJOYLXUCUSHR-YVACAVLKSA-N 2 0 279.428 1.699 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001321097845 959589513 /nfs/dbraw/zinc/58/95/13/959589513.db2.gz QTYHGSJGBKZECC-XGACYXMMSA-N 2 0 299.846 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001321532439 959839012 /nfs/dbraw/zinc/83/90/12/959839012.db2.gz GXIPHHKIPIDNPV-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001340365565 962909956 /nfs/dbraw/zinc/90/99/56/962909956.db2.gz SBNXFUZQDWSCBV-LBPRGKRZSA-N 2 0 251.374 1.025 10 30 CDEERP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001437973223 963261812 /nfs/dbraw/zinc/26/18/12/963261812.db2.gz FOJYKOKHMPNUMI-KGLIPLIRSA-N 2 0 299.846 1.613 10 30 CDEERP C=CC[C@]1(C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)CCC[NH2+]1 ZINC001342432212 963739361 /nfs/dbraw/zinc/73/93/61/963739361.db2.gz LPDHCNFKSMZOJE-UMVBOHGHSA-N 2 0 265.401 1.047 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001495953467 972719408 /nfs/dbraw/zinc/71/94/08/972719408.db2.gz CIGKTYWAHGEZNE-UHFFFAOYSA-N 2 0 289.423 1.124 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001496238804 972851105 /nfs/dbraw/zinc/85/11/05/972851105.db2.gz NLKUVCXFKHNEAV-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001496285480 972873593 /nfs/dbraw/zinc/87/35/93/972873593.db2.gz PTSRKYRKHJFRNC-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001496576883 972976747 /nfs/dbraw/zinc/97/67/47/972976747.db2.gz ZTHDOAYCDSHGAH-HNNXBMFYSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001497219628 973248670 /nfs/dbraw/zinc/24/86/70/973248670.db2.gz CUXQJHBBIFUKLQ-CQSZACIVSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001569662096 1169959045 /nfs/dbraw/zinc/95/90/45/1169959045.db2.gz OISNMXPLTYBABP-RDJZCZTQSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001498484357 973944316 /nfs/dbraw/zinc/94/43/16/973944316.db2.gz JBKZYIOZYQJALA-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001499855874 974316057 /nfs/dbraw/zinc/31/60/57/974316057.db2.gz YQILOFKJIHTDIP-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001500127839 974379747 /nfs/dbraw/zinc/37/97/47/974379747.db2.gz VYTQAXWXHKBTRF-INIZCTEOSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001500357913 974427135 /nfs/dbraw/zinc/42/71/35/974427135.db2.gz IENSWJTVZJRNES-NVXWUHKLSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001500376398 974430031 /nfs/dbraw/zinc/43/00/31/974430031.db2.gz MCRRFWFWAQIOEU-INIZCTEOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001505456528 974887946 /nfs/dbraw/zinc/88/79/46/974887946.db2.gz XDCJJNAHPWSQAX-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001506557806 975179068 /nfs/dbraw/zinc/17/90/68/975179068.db2.gz KDCZJLPKPSUFIG-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH+]1CCC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001508082743 975601091 /nfs/dbraw/zinc/60/10/91/975601091.db2.gz JIULMAWOZXOPRL-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001508135430 975619439 /nfs/dbraw/zinc/61/94/39/975619439.db2.gz OXRHTBGBWZPMLY-UHFFFAOYSA-N 2 0 279.428 1.483 10 30 CDEERP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001508229505 975645017 /nfs/dbraw/zinc/64/50/17/975645017.db2.gz MJUUPTIXONFZGL-MRXNPFEDSA-N 2 0 291.439 1.344 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001390364373 976263279 /nfs/dbraw/zinc/26/32/79/976263279.db2.gz JDMFGHMYIGGBDP-RWMBFGLXSA-N 2 0 287.835 1.564 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001569867049 1170022799 /nfs/dbraw/zinc/02/27/99/1170022799.db2.gz LDEANBCRUSOGLD-JYJNAYRXSA-N 2 0 291.439 1.084 10 30 CDEERP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001675222920 1174087233 /nfs/dbraw/zinc/08/72/33/1174087233.db2.gz VLUBPASZAKNOAE-RBSFLKMASA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001676064242 1174177700 /nfs/dbraw/zinc/17/77/00/1174177700.db2.gz WNMXHGFGYMIHHH-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001677281470 1174344604 /nfs/dbraw/zinc/34/46/04/1174344604.db2.gz JLRZNOZABKKSCV-KGLIPLIRSA-N 2 0 281.444 1.635 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001677423938 1174359143 /nfs/dbraw/zinc/35/91/43/1174359143.db2.gz TZUAZIUHLOPAFW-FXQLRMTLSA-N 2 0 291.439 1.319 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001570561203 1170188884 /nfs/dbraw/zinc/18/88/84/1170188884.db2.gz OTWJQPKGSMFXCS-UHFFFAOYSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001570562607 1170191212 /nfs/dbraw/zinc/19/12/12/1170191212.db2.gz NGWCSNOBJNQHTH-UYSNPLJNSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@H](CCCC)NC(=O)C12CC[NH+](CC1)C2 ZINC001570814831 1170286554 /nfs/dbraw/zinc/28/65/54/1170286554.db2.gz VFEIZKRIPVEPEC-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001571371294 1170389188 /nfs/dbraw/zinc/38/91/88/1170389188.db2.gz NBIGMNSYGMMNKI-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001656176111 1171783522 /nfs/dbraw/zinc/78/35/22/1171783522.db2.gz OTJJWWYZRQDPAI-FPCVCCKLSA-N 2 0 291.439 1.367 10 30 CDEERP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001656452174 1171825658 /nfs/dbraw/zinc/82/56/58/1171825658.db2.gz DMGWKAQVQVNNEG-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[C@H]1CC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000625701309 342194227 /nfs/dbraw/zinc/19/42/27/342194227.db2.gz IQSXYCIEHGTAJU-AWEZNQCLSA-N 2 0 265.401 1.049 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000594427117 342897265 /nfs/dbraw/zinc/89/72/65/342897265.db2.gz SUQUWHPWIJPIKV-UONOGXRCSA-N 2 0 274.368 1.214 10 30 CDEERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCCC#N ZINC000594284404 342887512 /nfs/dbraw/zinc/88/75/12/342887512.db2.gz WVAHJCOLNRRIRD-UHFFFAOYSA-N 2 0 268.405 1.022 10 30 CDEERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](C)C1 ZINC000594439644 342906820 /nfs/dbraw/zinc/90/68/20/342906820.db2.gz TZYJFZPZGKVFGJ-KKUMJFAQSA-N 2 0 294.443 1.586 10 30 CDEERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594425158 342904171 /nfs/dbraw/zinc/90/41/71/342904171.db2.gz KDWKYKXQVHOKGI-YNEHKIRRSA-N 2 0 266.389 1.126 10 30 CDEERP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CCC[NH3+] ZINC000595258979 343013749 /nfs/dbraw/zinc/01/37/49/343013749.db2.gz YFNGEAZPWFTCJQ-RBSFLKMASA-N 2 0 294.443 1.764 10 30 CDEERP N#Cc1cccc(C2([NH2+]C[C@@H]3CC[NH2+]C3)CCOCC2)c1 ZINC000595908444 343189016 /nfs/dbraw/zinc/18/90/16/343189016.db2.gz IIAOLLNPBRFHQP-OAHLLOKOSA-N 2 0 285.391 1.763 10 30 CDEERP C[NH2+]CCC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000600741516 349877580 /nfs/dbraw/zinc/87/75/80/349877580.db2.gz OWUVRGFSTXSJGP-UHFFFAOYSA-N 2 0 273.380 1.763 10 30 CDEERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598720657 343883575 /nfs/dbraw/zinc/88/35/75/343883575.db2.gz PCMYTBMZALGIOD-HNNXBMFYSA-N 2 0 281.444 1.999 10 30 CDEERP C=CCC[C@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449696680 362768631 /nfs/dbraw/zinc/76/86/31/362768631.db2.gz IVXXIRQNZOMPDX-OAHLLOKOSA-N 2 0 286.379 1.992 10 30 CDEERP C#CC[NH+](C)Cc1cc(C#N)cc(C[N@H+](C)CC#C)c1 ZINC000878502141 684838626 /nfs/dbraw/zinc/83/86/26/684838626.db2.gz WRGHZMHNJVIHFW-UHFFFAOYSA-N 2 0 265.360 1.688 10 30 CDEERP CN1CCN(c2ccc(C(F)(F)F)c(C#N)c2)[C@H](C[NH3+])C1 ZINC000164117094 363784068 /nfs/dbraw/zinc/78/40/68/363784068.db2.gz VHRZXGRLSUBAKX-GFCCVEGCSA-N 2 0 298.312 1.656 10 30 CDEERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)C1 ZINC000087823720 361640663 /nfs/dbraw/zinc/64/06/63/361640663.db2.gz FIYFICGDBDEJJQ-CQSZACIVSA-N 2 0 273.380 1.998 10 30 CDEERP C=CC[C@@]1(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCC[NH2+]1 ZINC000662418446 412989883 /nfs/dbraw/zinc/98/98/83/412989883.db2.gz QPUZGVHFXODOKN-KRWDZBQOSA-N 2 0 285.391 1.969 10 30 CDEERP C#CCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375840379 391201088 /nfs/dbraw/zinc/20/10/88/391201088.db2.gz PCCDEKRQWAPDJO-MGPQQGTHSA-N 2 0 252.427 1.815 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC([NH+](C)C)CC2)CCC[NH2+]1 ZINC000662757576 413440671 /nfs/dbraw/zinc/44/06/71/413440671.db2.gz NYMLEYUFIHTXLO-HNNXBMFYSA-N 2 0 265.401 1.237 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCC[NH2+]1 ZINC000662759259 413446289 /nfs/dbraw/zinc/44/62/89/413446289.db2.gz BUBKATSUYRVXGX-RDJZCZTQSA-N 2 0 291.439 1.675 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001665681493 1173035720 /nfs/dbraw/zinc/03/57/20/1173035720.db2.gz HZRWMSZSDHLCSC-ZIAGYGMSSA-N 2 0 267.417 1.291 10 30 CDEERP C[N@@H+](Cc1cc(C#CC[NH3+])cs1)C[C@H]1CCCO1 ZINC000043688983 175095435 /nfs/dbraw/zinc/09/54/35/175095435.db2.gz GDAZMZVRJKGPTA-CYBMUJFWSA-N 2 0 264.394 1.669 10 30 CDEERP C=CCC[N@@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001673483237 1173862982 /nfs/dbraw/zinc/86/29/82/1173862982.db2.gz NEGYBLODPWSEBA-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCC=C)CC1 ZINC001690650070 1175537010 /nfs/dbraw/zinc/53/70/10/1175537010.db2.gz DRPNCSUKAXHJFP-CQSZACIVSA-N 2 0 277.412 1.002 10 30 CDEERP CC(C)C[N@@H+]1CCCC[C@@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262473026 330015816 /nfs/dbraw/zinc/01/58/16/330015816.db2.gz BQFYQZINWIGTDY-QWHCGFSZSA-N 2 0 252.406 1.434 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000262491858 330017398 /nfs/dbraw/zinc/01/73/98/330017398.db2.gz JKPJTJZFDPBZOT-XLNGHYISSA-N 2 0 298.434 1.713 10 30 CDEERP C=CC1(N2CC[NH+](CC(C)C)CC2)CC[NH2+]CC1 ZINC000536955468 330383115 /nfs/dbraw/zinc/38/31/15/330383115.db2.gz UGVHWNHNUKZVNZ-UHFFFAOYSA-N 2 0 251.418 1.568 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001672537489 1159752098 /nfs/dbraw/zinc/75/20/98/1159752098.db2.gz IKVGGUYIOQHMBL-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268063859 1159767911 /nfs/dbraw/zinc/76/79/11/1159767911.db2.gz NGXFHHHNNFBQPG-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP CC[NH+](CC)CC1CC[NH+](CC#CCOC)CC1 ZINC000677818018 482793161 /nfs/dbraw/zinc/79/31/61/482793161.db2.gz FBXWIAKJSGJGSC-UHFFFAOYSA-N 2 0 252.402 1.690 10 30 CDEERP C=C(C)[C@H](CO)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000678049092 482909375 /nfs/dbraw/zinc/90/93/75/482909375.db2.gz DHERMFZHBSYWAY-KRWDZBQOSA-N 2 0 295.471 1.414 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001691845620 1161490364 /nfs/dbraw/zinc/49/03/64/1161490364.db2.gz HXDLEPOLRHTBHS-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001714054551 1178950122 /nfs/dbraw/zinc/95/01/22/1178950122.db2.gz XAMBREVXCJQZNY-AWEZNQCLSA-N 2 0 265.401 1.191 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001717490475 1180704272 /nfs/dbraw/zinc/70/42/72/1180704272.db2.gz NTWUXHGOKZYOCU-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001688916686 1175067401 /nfs/dbraw/zinc/06/74/01/1175067401.db2.gz PDMFCTZTGSZRSS-KFWWJZLASA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001690014859 1175345739 /nfs/dbraw/zinc/34/57/39/1175345739.db2.gz SIXXLECNLUULEL-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001690295523 1175430354 /nfs/dbraw/zinc/43/03/54/1175430354.db2.gz ZBDUGYLRFGSGDV-VGWMRTNUSA-N 2 0 291.439 1.367 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940843111 613784101 /nfs/dbraw/zinc/78/41/01/613784101.db2.gz XGVYHMRFFSENNV-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000900684983 623372923 /nfs/dbraw/zinc/37/29/23/623372923.db2.gz KSKQPLUUWXWHLR-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000901027633 623820259 /nfs/dbraw/zinc/82/02/59/623820259.db2.gz WPPHKEBHQUIMPV-OCCSQVGLSA-N 2 0 265.401 1.093 10 30 CDEERP N#CC1CCC(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000903452218 626000696 /nfs/dbraw/zinc/00/06/96/626000696.db2.gz JINUDMDWVUPCRR-GPANFISMSA-N 2 0 276.428 1.296 10 30 CDEERP C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC000905449028 626810781 /nfs/dbraw/zinc/81/07/81/626810781.db2.gz CMPIJTDUXBBRTN-IAGOWNOFSA-N 2 0 292.423 1.396 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000907835973 627853939 /nfs/dbraw/zinc/85/39/39/627853939.db2.gz LIKIRCUPBJIYFA-UHFFFAOYSA-N 2 0 297.443 1.064 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1[C@H](C)CCC[C@H]1CC[NH+](C)C ZINC000912650012 630127349 /nfs/dbraw/zinc/12/73/49/630127349.db2.gz HBYCVAXYCOITHK-CABCVRRESA-N 2 0 281.444 1.826 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000874844815 685336432 /nfs/dbraw/zinc/33/64/32/685336432.db2.gz TYRDHBACQPWAKR-JKSUJKDBSA-N 2 0 289.423 1.027 10 30 CDEERP CN(C)C(=[NH+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N(C)C ZINC000849046344 685473828 /nfs/dbraw/zinc/47/38/28/685473828.db2.gz QKBUTANYYDIDTM-CVEARBPZSA-N 2 0 288.439 1.811 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000876937451 684821922 /nfs/dbraw/zinc/82/19/22/684821922.db2.gz WZTPURBHZMHIRC-KBPBESRZSA-N 2 0 293.798 1.541 10 30 CDEERP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CC[NH+](C)CC1 ZINC000878992003 684868961 /nfs/dbraw/zinc/86/89/61/684868961.db2.gz QXNHOQCDGPJDDZ-GASCZTMLSA-N 2 0 277.412 1.380 10 30 CDEERP [NH2+]=C(NCCCC[NH+]1CCOCC1)N1CCCCCC1 ZINC000125986308 685030002 /nfs/dbraw/zinc/03/00/02/685030002.db2.gz OGEPQDGYQULLEL-UHFFFAOYSA-N 2 0 282.432 1.290 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000876733177 685809143 /nfs/dbraw/zinc/80/91/43/685809143.db2.gz QTYSUGFJLCMAQG-UONOGXRCSA-N 2 0 299.846 1.933 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000876522997 687529601 /nfs/dbraw/zinc/52/96/01/687529601.db2.gz HYZRQJQRKZDWLL-GXSJLCMTSA-N 2 0 259.781 1.042 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC000872300735 688037348 /nfs/dbraw/zinc/03/73/48/688037348.db2.gz LUUBTRWGVMRXDH-SNVBAGLBSA-N 2 0 259.781 1.057 10 30 CDEERP C=CCC[C@@H](O)C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125253 688094570 /nfs/dbraw/zinc/09/45/70/688094570.db2.gz VJFUGFIGNSKXRO-MRXNPFEDSA-N 2 0 284.444 1.604 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001266841361 1158885771 /nfs/dbraw/zinc/88/57/71/1158885771.db2.gz WIWVMKIJZKSJCM-SJORKVTESA-N 2 0 299.418 1.013 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001691184162 1158950509 /nfs/dbraw/zinc/95/05/09/1158950509.db2.gz BXRRIUVTZYWVJV-VGWMRTNUSA-N 2 0 293.455 1.777 10 30 CDEERP C#CC[NH2+][C@H]1CCCCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001691636867 1161062737 /nfs/dbraw/zinc/06/27/37/1161062737.db2.gz OLOKBDYFJMWPJG-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C[NH+](C)C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001611364668 1165491567 /nfs/dbraw/zinc/49/15/67/1165491567.db2.gz YRDKTPHYVPGCOA-UHFFFAOYSA-N 2 0 271.324 1.324 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001566671661 1168366953 /nfs/dbraw/zinc/36/69/53/1168366953.db2.gz DCTBBAMBXBPFEY-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH+]1CCC(N(CCC)C(=O)C[NH+]2CCCC2)CC1 ZINC001566699273 1168391170 /nfs/dbraw/zinc/39/11/70/1168391170.db2.gz GRZDLSGJQHRWPV-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001566711858 1168396351 /nfs/dbraw/zinc/39/63/51/1168396351.db2.gz WRZPBDBAJNBJQO-CYBMUJFWSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001566903753 1168461869 /nfs/dbraw/zinc/46/18/69/1168461869.db2.gz UKDWNMUHTSHJIH-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H](CC)[NH+](C)C ZINC001567976700 1169104597 /nfs/dbraw/zinc/10/45/97/1169104597.db2.gz IRHRLYKMWZJUAL-OLZOCXBDSA-N 2 0 255.406 1.387 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001568209260 1169179671 /nfs/dbraw/zinc/17/96/71/1169179671.db2.gz RYVJUZAEHZJSPE-HUUCEWRRSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001569145171 1169688858 /nfs/dbraw/zinc/68/88/58/1169688858.db2.gz CTUPOFKAZHAQES-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001570046936 1170064721 /nfs/dbraw/zinc/06/47/21/1170064721.db2.gz REDVBUXGJREUIN-WKILWMFISA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570822985 1170288639 /nfs/dbraw/zinc/28/86/39/1170288639.db2.gz OYWXRVQHZJZHSU-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001656337291 1171810763 /nfs/dbraw/zinc/81/07/63/1171810763.db2.gz DLTJYJXNQZNXPN-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)[C@@H](CO)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001660591545 1172239538 /nfs/dbraw/zinc/23/95/38/1172239538.db2.gz DEXSYKOVGUBPOO-OAHLLOKOSA-N 2 0 282.428 1.236 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001661510786 1172400056 /nfs/dbraw/zinc/40/00/56/1172400056.db2.gz JGPJYWSXGVGTIL-AJNGGQMLSA-N 2 0 277.412 1.119 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001666115354 1173111827 /nfs/dbraw/zinc/11/18/27/1173111827.db2.gz NEXOLBMLZORCAP-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001666673535 1173169397 /nfs/dbraw/zinc/16/93/97/1173169397.db2.gz QASMPZCTZPADAP-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001672911718 1173809319 /nfs/dbraw/zinc/80/93/19/1173809319.db2.gz YXCMTDCSTVGYBO-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CC2CC2)CC1 ZINC001674261836 1173927587 /nfs/dbraw/zinc/92/75/87/1173927587.db2.gz NXMBHNAALNJPLN-AWEZNQCLSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001676814945 1174277707 /nfs/dbraw/zinc/27/77/07/1174277707.db2.gz KEDHWYZDJYHWSU-WBVHZDCISA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001689960441 1175324112 /nfs/dbraw/zinc/32/41/12/1175324112.db2.gz MGNVTIKYFYJWBJ-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001692196554 1175698502 /nfs/dbraw/zinc/69/85/02/1175698502.db2.gz HPRQRDSVLYMYCT-KGLIPLIRSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCCCCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001692349567 1175746218 /nfs/dbraw/zinc/74/62/18/1175746218.db2.gz IRPUNOROIPWRAM-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001698667349 1175891519 /nfs/dbraw/zinc/89/15/19/1175891519.db2.gz FJJULYVERAXCNE-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCC1 ZINC001698806354 1175935673 /nfs/dbraw/zinc/93/56/73/1175935673.db2.gz FYRZZMQRCOBBSB-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001698869891 1175971967 /nfs/dbraw/zinc/97/19/67/1175971967.db2.gz GFDSMWBPGSNLFY-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001699028345 1176049157 /nfs/dbraw/zinc/04/91/57/1176049157.db2.gz OEOYSKBRAHMXKH-CVEARBPZSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001699662237 1176556709 /nfs/dbraw/zinc/55/67/09/1176556709.db2.gz KUFZCAFAKZKZBB-UHFFFAOYSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001700015532 1176719342 /nfs/dbraw/zinc/71/93/42/1176719342.db2.gz DPFXIKIVALURMB-LSDHHAIUSA-N 2 0 277.412 1.027 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001700052231 1176731873 /nfs/dbraw/zinc/73/18/73/1176731873.db2.gz GOYQKWSFQFTJNZ-KGLIPLIRSA-N 2 0 299.846 1.661 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001700280803 1176830980 /nfs/dbraw/zinc/83/09/80/1176830980.db2.gz YNAGCGPXBUGWAU-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001700544922 1177007761 /nfs/dbraw/zinc/00/77/61/1177007761.db2.gz DAJRQYQGUYBQOA-KBPBESRZSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001713487132 1178601297 /nfs/dbraw/zinc/60/12/97/1178601297.db2.gz JAWCVJKASXOXDT-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001713704624 1178716448 /nfs/dbraw/zinc/71/64/48/1178716448.db2.gz ZFCMZJIYDIMKLX-IRXDYDNUSA-N 2 0 299.418 1.409 10 30 CDEERP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001713966432 1178898703 /nfs/dbraw/zinc/89/87/03/1178898703.db2.gz WJAYZXXJSINFNK-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713968083 1178898997 /nfs/dbraw/zinc/89/89/97/1178898997.db2.gz CDQQNMIECUMOPY-BZUAXINKSA-N 2 0 291.439 1.367 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001714020836 1178931005 /nfs/dbraw/zinc/93/10/05/1178931005.db2.gz LEXDRPIGSNWXDU-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001714049576 1178945981 /nfs/dbraw/zinc/94/59/81/1178945981.db2.gz KMLLKEWAVUUFIN-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001714242171 1179042153 /nfs/dbraw/zinc/04/21/53/1179042153.db2.gz WVSFBVUKXWNWEK-HIFRSBDPSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001714427384 1179133830 /nfs/dbraw/zinc/13/38/30/1179133830.db2.gz JUFBGABTRGADEQ-ZDUSSCGKSA-N 2 0 267.417 1.246 10 30 CDEERP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001714625276 1179276387 /nfs/dbraw/zinc/27/63/87/1179276387.db2.gz SWSPQETZTCQPPU-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001715014575 1179510093 /nfs/dbraw/zinc/51/00/93/1179510093.db2.gz AKLZQFHUBPVPAR-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001715024585 1179515845 /nfs/dbraw/zinc/51/58/45/1179515845.db2.gz PUVZYSHDSCFJIU-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001715532343 1179702904 /nfs/dbraw/zinc/70/29/04/1179702904.db2.gz VIBDYARLHMPOFP-MRXNPFEDSA-N 2 0 293.455 1.522 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001715766310 1179796567 /nfs/dbraw/zinc/79/65/67/1179796567.db2.gz FJXSROPXPUQDMS-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716167947 1180080809 /nfs/dbraw/zinc/08/08/09/1180080809.db2.gz KXENUSKTIWYXPG-KKUMJFAQSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001717423733 1180664416 /nfs/dbraw/zinc/66/44/16/1180664416.db2.gz WSMIBFKPIVHWLD-UONOGXRCSA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001717642374 1180769737 /nfs/dbraw/zinc/76/97/37/1180769737.db2.gz ROYYGNREKNVOMR-HDJSIYSDSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001717652173 1180775668 /nfs/dbraw/zinc/77/56/68/1180775668.db2.gz HAVCJNJGOGRPGE-LDKKBFSKSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001724022959 1181629412 /nfs/dbraw/zinc/62/94/12/1181629412.db2.gz LQJXNCDOMXHMLQ-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CCC)CC1 ZINC001724065138 1181632203 /nfs/dbraw/zinc/63/22/03/1181632203.db2.gz OYPXIZSPAZLQPS-UHFFFAOYSA-N 2 0 291.439 1.418 10 30 CDEERP C#CCN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CC)CC1 ZINC001724047908 1181632289 /nfs/dbraw/zinc/63/22/89/1181632289.db2.gz WBYQWKOMRPOFOZ-UHFFFAOYSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001725122625 1181872579 /nfs/dbraw/zinc/87/25/79/1181872579.db2.gz WMGVCOICHQDMQZ-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001725240420 1181932824 /nfs/dbraw/zinc/93/28/24/1181932824.db2.gz LRLFEZCERZPIBT-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001725363394 1181974941 /nfs/dbraw/zinc/97/49/41/1181974941.db2.gz HJGLIDVCABPSQP-WKILWMFISA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[N@@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001725424000 1181995495 /nfs/dbraw/zinc/99/54/95/1181995495.db2.gz GDFRAZMKGLMOHD-UHFFFAOYSA-N 2 0 289.423 1.028 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001731405464 1182367663 /nfs/dbraw/zinc/36/76/63/1182367663.db2.gz KQONRAUGZCANBT-GOEBONIOSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001731538561 1182442344 /nfs/dbraw/zinc/44/23/44/1182442344.db2.gz LXBSWPZKPYCVMC-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001731583393 1182461330 /nfs/dbraw/zinc/46/13/30/1182461330.db2.gz WMWUWUVBQNUNKZ-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001731634513 1182492240 /nfs/dbraw/zinc/49/22/40/1182492240.db2.gz QOLBSYDADRNBBG-HOCLYGCPSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731769599 1182564125 /nfs/dbraw/zinc/56/41/25/1182564125.db2.gz IWMXHXMHZRZMCU-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001731807134 1182598165 /nfs/dbraw/zinc/59/81/65/1182598165.db2.gz NKPSMCMMCXRADM-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001732048818 1182739962 /nfs/dbraw/zinc/73/99/62/1182739962.db2.gz FOFQHQLZJZZBIC-HRCADAONSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001732172002 1182830295 /nfs/dbraw/zinc/83/02/95/1182830295.db2.gz WBCGJWWLYISJAF-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001732207948 1182859357 /nfs/dbraw/zinc/85/93/57/1182859357.db2.gz ZBPGAXAUNVNZRD-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001732282727 1182894602 /nfs/dbraw/zinc/89/46/02/1182894602.db2.gz AUMMQNHWOUUTRR-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001732559502 1183010182 /nfs/dbraw/zinc/01/01/82/1183010182.db2.gz AEPRDQFEXVOYCH-CVEARBPZSA-N 2 0 293.455 1.470 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001732706157 1183094830 /nfs/dbraw/zinc/09/48/30/1183094830.db2.gz LUTCQSSHERQOEW-CQSZACIVSA-N 2 0 297.443 1.015 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)Cc1cnc[nH]1 ZINC001733128177 1183299915 /nfs/dbraw/zinc/29/99/15/1183299915.db2.gz DYKHJYCFDLTFJU-UHFFFAOYSA-N 2 0 264.373 1.357 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001733260623 1183374438 /nfs/dbraw/zinc/37/44/38/1183374438.db2.gz QPFVSGBGAJVDAE-GFCCVEGCSA-N 2 0 276.384 1.403 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001733262196 1183375918 /nfs/dbraw/zinc/37/59/18/1183375918.db2.gz AOPMYTPBDFFXTC-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001733264948 1183377219 /nfs/dbraw/zinc/37/72/19/1183377219.db2.gz IVIOHRQSJVRJCK-OAHLLOKOSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001733540367 1183459846 /nfs/dbraw/zinc/45/98/46/1183459846.db2.gz UYOTUEVEIXRLNA-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001733869175 1183554873 /nfs/dbraw/zinc/55/48/73/1183554873.db2.gz YAAXPZDQCORWRZ-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001734262684 1183706709 /nfs/dbraw/zinc/70/67/09/1183706709.db2.gz JQXRWBLTGFGPFY-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001734432246 1183777738 /nfs/dbraw/zinc/77/77/38/1183777738.db2.gz LRIRJAJOBZFULO-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH+]1CC=C(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001734627868 1183853120 /nfs/dbraw/zinc/85/31/20/1183853120.db2.gz KQEIWNOYXYRBEP-UHFFFAOYSA-N 2 0 291.439 1.795 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001570780760 1167585522 /nfs/dbraw/zinc/58/55/22/1167585522.db2.gz BTXOIOHPXXOJFJ-LSDHHAIUSA-N 2 0 279.428 1.034 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001567611612 1168065969 /nfs/dbraw/zinc/06/59/69/1168065969.db2.gz ODSAGYNSUGWZSS-UHFFFAOYSA-N 2 0 275.396 1.596 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001566103661 1168235777 /nfs/dbraw/zinc/23/57/77/1168235777.db2.gz SZVYJNAMHFKGDU-ILXRZTDVSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566738487 1168404681 /nfs/dbraw/zinc/40/46/81/1168404681.db2.gz HQZVIAOIUCACQV-CVEARBPZSA-N 2 0 295.471 1.929 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001282486944 894456858 /nfs/dbraw/zinc/45/68/58/894456858.db2.gz RUKAPZOEYZNPNJ-OLZOCXBDSA-N 2 0 255.406 1.195 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266730059 895928134 /nfs/dbraw/zinc/92/81/34/895928134.db2.gz JWJSGVBBQSXFLX-ZQDZILKHSA-N 2 0 279.428 1.530 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001266880378 896269558 /nfs/dbraw/zinc/26/95/58/896269558.db2.gz KESCYYHMDMZJNV-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001267046956 896629210 /nfs/dbraw/zinc/62/92/10/896629210.db2.gz GLCZMVDTGQDJOO-CVEARBPZSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267083417 896728657 /nfs/dbraw/zinc/72/86/57/896728657.db2.gz YHKYDNFTEJXEMV-ZIAGYGMSSA-N 2 0 279.428 1.674 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001267145104 896913222 /nfs/dbraw/zinc/91/32/22/896913222.db2.gz NJMYTLZBPSUULX-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)CC[NH+](C)C ZINC001567555478 1168853711 /nfs/dbraw/zinc/85/37/11/1168853711.db2.gz OUTDAGCQIVAZQY-UHFFFAOYSA-N 2 0 288.395 1.058 10 30 CDEERP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267531524 898263225 /nfs/dbraw/zinc/26/32/25/898263225.db2.gz SVUQTDALIQVPKO-GOEBONIOSA-N 2 0 291.439 1.342 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001483952367 915233346 /nfs/dbraw/zinc/23/33/46/915233346.db2.gz VJTPSOPIINTOSX-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267597052 898658948 /nfs/dbraw/zinc/65/89/48/898658948.db2.gz RWODMNGNDVFXJM-OAHLLOKOSA-N 2 0 279.428 1.439 10 30 CDEERP C=CC[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001481095320 898809142 /nfs/dbraw/zinc/80/91/42/898809142.db2.gz HQCZOIQDRBZLQL-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001420070582 899112709 /nfs/dbraw/zinc/11/27/09/899112709.db2.gz AKTMAFGDUIFWJR-ZIAGYGMSSA-N 2 0 299.846 1.613 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267656919 899191071 /nfs/dbraw/zinc/19/10/71/899191071.db2.gz ADSSCEFNLPSGNV-CYBMUJFWSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267682221 899269003 /nfs/dbraw/zinc/26/90/03/899269003.db2.gz DXUGCCCRLLUVOD-OAHLLOKOSA-N 2 0 293.455 1.685 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001481265336 899707511 /nfs/dbraw/zinc/70/75/11/899707511.db2.gz ISNBGMDCIIIBCV-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267827755 899823803 /nfs/dbraw/zinc/82/38/03/899823803.db2.gz XCRMBQPCYBLTRR-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001481358293 900492099 /nfs/dbraw/zinc/49/20/99/900492099.db2.gz PZSJUTXHHVFMMZ-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001268068935 901093804 /nfs/dbraw/zinc/09/38/04/901093804.db2.gz OENZZAAMPRYCPO-KBPBESRZSA-N 2 0 269.433 1.585 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001268101515 901288379 /nfs/dbraw/zinc/28/83/79/901288379.db2.gz YNUXQFBLGDCJAB-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001567742837 1168946422 /nfs/dbraw/zinc/94/64/22/1168946422.db2.gz VIYBOQJUCXGNOE-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001481641767 901576023 /nfs/dbraw/zinc/57/60/23/901576023.db2.gz WBYBEVNUUQVFRJ-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268412645 902023392 /nfs/dbraw/zinc/02/33/92/902023392.db2.gz YPGWBHCKMOMALI-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH2+]C[C@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@@H]1C ZINC001481964231 902417843 /nfs/dbraw/zinc/41/78/43/902417843.db2.gz POVHPCRQSZLELA-DOTOQJQBSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001269510619 903875770 /nfs/dbraw/zinc/87/57/70/903875770.db2.gz RMSGPFCPSNGCSD-CABCVRRESA-N 2 0 297.443 1.015 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001280094209 904183999 /nfs/dbraw/zinc/18/39/99/904183999.db2.gz JXOHJNIEZXYJSI-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001270121208 904378147 /nfs/dbraw/zinc/37/81/47/904378147.db2.gz KYLTYWDFLLEXIM-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001482369192 905219322 /nfs/dbraw/zinc/21/93/22/905219322.db2.gz LLMXLLSFFBUGDW-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001270866763 905233236 /nfs/dbraw/zinc/23/32/36/905233236.db2.gz HZUHKECXQUTMIL-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001271261089 906214176 /nfs/dbraw/zinc/21/41/76/906214176.db2.gz GIHCAGCMBRQLRY-OWCLPIDISA-N 2 0 293.455 1.470 10 30 CDEERP CC#CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@H]21 ZINC001272227912 909311996 /nfs/dbraw/zinc/31/19/96/909311996.db2.gz XBEDDRCSHFIVTI-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001483595551 911306744 /nfs/dbraw/zinc/30/67/44/911306744.db2.gz AXKGNUKLXQRBQA-MRXNPFEDSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](CCC)CC1 ZINC001483988555 915269149 /nfs/dbraw/zinc/26/91/49/915269149.db2.gz FJBTZFDJKNTGFV-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001484120889 915444819 /nfs/dbraw/zinc/44/48/19/915444819.db2.gz UAAYNGPKVYHERJ-MRXNPFEDSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484176053 915492402 /nfs/dbraw/zinc/49/24/02/915492402.db2.gz ZVKJNOXQQGXJRZ-WBVHZDCISA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001484380776 915705024 /nfs/dbraw/zinc/70/50/24/915705024.db2.gz LEAPAAMRHIJUMQ-GJZGRUSLSA-N 2 0 281.444 1.588 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1 ZINC001484695735 916058552 /nfs/dbraw/zinc/05/85/52/916058552.db2.gz HSTJLHOXNRPNQZ-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C#CCC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001485581573 917108051 /nfs/dbraw/zinc/10/80/51/917108051.db2.gz GPXQFRSLEOIRPU-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001272777799 919255798 /nfs/dbraw/zinc/25/57/98/919255798.db2.gz KZOWMYAMMCTECV-BZUAXINKSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001272855361 919918445 /nfs/dbraw/zinc/91/84/45/919918445.db2.gz RVOQHSHDDRTGCF-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001486159126 920762079 /nfs/dbraw/zinc/76/20/79/920762079.db2.gz CMPVHHZEARSUGL-DOTOQJQBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCO[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001119544005 925375574 /nfs/dbraw/zinc/37/55/74/925375574.db2.gz AAGSVSCINVLQRT-DKUMPPAJSA-N 2 0 250.386 1.794 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC ZINC001489141896 926811638 /nfs/dbraw/zinc/81/16/38/926811638.db2.gz SXPMUAAKGNVDGI-RRFJBIMHSA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)C[N@H+](CC)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001490324080 927121961 /nfs/dbraw/zinc/12/19/61/927121961.db2.gz BUTNKLMDUDKQLB-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001490566345 927236259 /nfs/dbraw/zinc/23/62/59/927236259.db2.gz KDEXAUFVXREXRY-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP CC(C)C[N@H+](C)CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852895396 927910462 /nfs/dbraw/zinc/91/04/62/927910462.db2.gz ARHZMIXGPRGOPH-UHFFFAOYSA-N 2 0 279.428 1.084 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001279185219 931218672 /nfs/dbraw/zinc/21/86/72/931218672.db2.gz ZGWUGXBFOZFDCA-CABCVRRESA-N 2 0 291.439 1.342 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC001136648796 931225870 /nfs/dbraw/zinc/22/58/70/931225870.db2.gz ZAVNJNLBEZAFQZ-ZDUSSCGKSA-N 2 0 255.406 1.197 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001274278785 931487263 /nfs/dbraw/zinc/48/72/63/931487263.db2.gz BRQJMWJAYDNMPB-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCC[NH2+]1 ZINC001119362758 937713088 /nfs/dbraw/zinc/71/30/88/937713088.db2.gz IOADIVSNXXSJHN-UMPJEAMMSA-N 2 0 291.439 1.578 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001122057010 937902342 /nfs/dbraw/zinc/90/23/42/937902342.db2.gz YYEUJZRQYHKBKL-CVEARBPZSA-N 2 0 293.455 1.908 10 30 CDEERP C=CCCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001276649351 940599548 /nfs/dbraw/zinc/59/95/48/940599548.db2.gz ZYHWXGKMZHICLO-INIZCTEOSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001276681703 940680665 /nfs/dbraw/zinc/68/06/65/940680665.db2.gz VMNXZIGZTIVWJF-INIZCTEOSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001276839858 941635163 /nfs/dbraw/zinc/63/51/63/941635163.db2.gz MGPXHWXLTOZMBQ-JYJNAYRXSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001280197487 942422587 /nfs/dbraw/zinc/42/25/87/942422587.db2.gz ILIQMAIJHORPED-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCC1 ZINC001280490897 942452359 /nfs/dbraw/zinc/45/23/59/942452359.db2.gz GIPBVBIKVMWHFB-UHFFFAOYSA-N 2 0 296.374 1.518 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001281666124 942606764 /nfs/dbraw/zinc/60/67/64/942606764.db2.gz WDKYUPAGKRSKPI-CABCVRRESA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001282084145 942657824 /nfs/dbraw/zinc/65/78/24/942657824.db2.gz NIRIOQVHECKPCX-UYSNPLJNSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001282140352 942668012 /nfs/dbraw/zinc/66/80/12/942668012.db2.gz ILYACMIYLITMHJ-CHWSQXEVSA-N 2 0 267.417 1.530 10 30 CDEERP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001282561655 942729981 /nfs/dbraw/zinc/72/99/81/942729981.db2.gz HFEMMTSSUHNLPQ-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001283611872 942946546 /nfs/dbraw/zinc/94/65/46/942946546.db2.gz KUZOUYBZZOKHGX-SOUVJXGZSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001283701995 942973130 /nfs/dbraw/zinc/97/31/30/942973130.db2.gz HKHRZDSQLSMIGU-ZIAGYGMSSA-N 2 0 269.433 1.729 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001283723215 942977591 /nfs/dbraw/zinc/97/75/91/942977591.db2.gz NIASRGVBLKAQJY-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001284148299 943090281 /nfs/dbraw/zinc/09/02/81/943090281.db2.gz IUNPCQAFBNYJHO-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001284244979 943129436 /nfs/dbraw/zinc/12/94/36/943129436.db2.gz RXCGCMAQYNUVBG-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001284291844 943138764 /nfs/dbraw/zinc/13/87/64/943138764.db2.gz MEPVWJMQLSUDQE-AWEZNQCLSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001277682880 943330505 /nfs/dbraw/zinc/33/05/05/943330505.db2.gz XTXWDGYAPDRZSH-UHFFFAOYSA-N 2 0 277.412 1.191 10 30 CDEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001277709702 943375452 /nfs/dbraw/zinc/37/54/52/943375452.db2.gz MYUFZSDVFTVLHL-MRXNPFEDSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC001263175916 943775433 /nfs/dbraw/zinc/77/54/33/943775433.db2.gz PCFDZUDVYQRCTB-DGCLKSJQSA-N 2 0 253.390 1.174 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001263827904 943991504 /nfs/dbraw/zinc/99/15/04/943991504.db2.gz SPXZKGJAQLXSBT-HZSPNIEDSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001265430852 944385383 /nfs/dbraw/zinc/38/53/83/944385383.db2.gz KYIHEJHWYIGCPR-HOTGVXAUSA-N 2 0 291.439 1.485 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265584129 944438561 /nfs/dbraw/zinc/43/85/61/944438561.db2.gz HEJDGNBYRZQRGQ-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265595230 944440581 /nfs/dbraw/zinc/44/05/81/944440581.db2.gz VDUDIHZMIRGGME-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001265775890 944504506 /nfs/dbraw/zinc/50/45/06/944504506.db2.gz ZVBVXCAGSWTUNW-LSDHHAIUSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001266067286 944662179 /nfs/dbraw/zinc/66/21/79/944662179.db2.gz KPMJCYDKTCDSHX-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266236190 944776965 /nfs/dbraw/zinc/77/69/65/944776965.db2.gz FNURTVSDEUXLKI-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001278325161 946164700 /nfs/dbraw/zinc/16/47/00/946164700.db2.gz HQKHOKOQVMMRPI-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP CC[NH+](CC)C1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001261552127 946170774 /nfs/dbraw/zinc/17/07/74/946170774.db2.gz HCROWSILTDLDHV-OAHLLOKOSA-N 2 0 294.443 1.730 10 30 CDEERP C#CCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001278459717 948381060 /nfs/dbraw/zinc/38/10/60/948381060.db2.gz NNCLCOHYUIVYHY-GDBMZVCRSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001279022630 948610625 /nfs/dbraw/zinc/61/06/25/948610625.db2.gz XAUMWRKOSFASOI-HUUCEWRRSA-N 2 0 293.455 1.472 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480209731 971630300 /nfs/dbraw/zinc/63/03/00/971630300.db2.gz OCWREZISLHZJJO-GASCZTMLSA-N 2 0 289.423 1.123 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480287660 971658615 /nfs/dbraw/zinc/65/86/15/971658615.db2.gz GADHUEOELYDIMD-CVEARBPZSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCOCC1 ZINC001278734467 952008831 /nfs/dbraw/zinc/00/88/31/952008831.db2.gz YCKGRXKBWDBUMD-UHFFFAOYSA-N 2 0 297.443 1.158 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001569151897 1169694227 /nfs/dbraw/zinc/69/42/27/1169694227.db2.gz QHFPEECETRJLQB-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001493256777 971999066 /nfs/dbraw/zinc/99/90/66/971999066.db2.gz NYNPXANOPAUWPH-HUUCEWRRSA-N 2 0 281.444 1.587 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001326433161 954378950 /nfs/dbraw/zinc/37/89/50/954378950.db2.gz WDXBOAPMJFUPOZ-HNNXBMFYSA-N 2 0 279.428 1.487 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001326555096 954431206 /nfs/dbraw/zinc/43/12/06/954431206.db2.gz LBXARXHKLSZILI-WKILWMFISA-N 2 0 293.455 1.923 10 30 CDEERP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001327541003 954924544 /nfs/dbraw/zinc/92/45/44/954924544.db2.gz LPSJEFZTYMDCCB-QGZVFWFLSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001491857223 955471920 /nfs/dbraw/zinc/47/19/20/955471920.db2.gz YJOXAHCJEWYBGO-CVEARBPZSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001492128886 955640283 /nfs/dbraw/zinc/64/02/83/955640283.db2.gz HWXQAJADOIRIOV-ZDUSSCGKSA-N 2 0 255.406 1.387 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001329084393 955674733 /nfs/dbraw/zinc/67/47/33/955674733.db2.gz DSXBIOCUSAIUGI-CHWSQXEVSA-N 2 0 299.378 1.550 10 30 CDEERP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001329229950 955767722 /nfs/dbraw/zinc/76/77/22/955767722.db2.gz DYFQPZNRGZIQDI-GPANFISMSA-N 2 0 293.455 1.565 10 30 CDEERP C=CC[C@]1(C(=O)NCc2ccccc2C[NH3+])CCC[NH2+]1 ZINC001330584724 956499035 /nfs/dbraw/zinc/49/90/35/956499035.db2.gz NVBIMXFVCFWWEO-MRXNPFEDSA-N 2 0 273.380 1.460 10 30 CDEERP C=CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001316826978 957048677 /nfs/dbraw/zinc/04/86/77/957048677.db2.gz KXWISBJJEWXWFE-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001316868849 957082412 /nfs/dbraw/zinc/08/24/12/957082412.db2.gz AWXZUUGITXHGPJ-UHFFFAOYSA-N 2 0 281.444 1.877 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001316874738 957083871 /nfs/dbraw/zinc/08/38/71/957083871.db2.gz CNRGKEDMRSNOLO-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)CCC)CC1 ZINC001316935851 957135103 /nfs/dbraw/zinc/13/51/03/957135103.db2.gz QQUCMDJVSHHXKG-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001317294423 957407764 /nfs/dbraw/zinc/40/77/64/957407764.db2.gz LMPRMWDAGQUVOZ-CYBMUJFWSA-N 2 0 275.396 1.642 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001317722102 957647474 /nfs/dbraw/zinc/64/74/74/957647474.db2.gz NDDGBTHXYXBLMY-OAHLLOKOSA-N 2 0 275.396 1.571 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001332808552 957853297 /nfs/dbraw/zinc/85/32/97/957853297.db2.gz UNQUUGSBGRQWHV-GJZGRUSLSA-N 2 0 295.471 1.716 10 30 CDEERP C#CC[NH2+]C1CC(N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001333154826 958114714 /nfs/dbraw/zinc/11/47/14/958114714.db2.gz WPJOXMLVVVSKEJ-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001333313492 958237664 /nfs/dbraw/zinc/23/76/64/958237664.db2.gz ZGHQJZNOLKASDZ-MRXNPFEDSA-N 2 0 291.439 1.795 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001319268344 958467532 /nfs/dbraw/zinc/46/75/32/958467532.db2.gz ADFGEULZOLJSMO-KBPBESRZSA-N 2 0 267.417 1.246 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001319560779 958632190 /nfs/dbraw/zinc/63/21/90/958632190.db2.gz OZOGKMUYRVYADF-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC001319758222 958716234 /nfs/dbraw/zinc/71/62/34/958716234.db2.gz MKUWCXCYZPYGRU-UONOGXRCSA-N 2 0 263.385 1.612 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001495058025 972390821 /nfs/dbraw/zinc/39/08/21/972390821.db2.gz MAYRGQHNISXHDR-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001320564800 959244677 /nfs/dbraw/zinc/24/46/77/959244677.db2.gz UMUVDTMQOWDBBA-GJZGRUSLSA-N 2 0 281.444 1.920 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001320862719 959426525 /nfs/dbraw/zinc/42/65/25/959426525.db2.gz LIIQAVKSMRQDEL-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320921080 959459209 /nfs/dbraw/zinc/45/92/09/959459209.db2.gz LMRKUWHGYOMWHS-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001321113221 959601632 /nfs/dbraw/zinc/60/16/32/959601632.db2.gz WZFLUSPDBYCJKB-ONEGZZNKSA-N 2 0 291.439 1.701 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001321418751 959776632 /nfs/dbraw/zinc/77/66/32/959776632.db2.gz IMAVBWURRKUXRS-MVGZEHJDSA-N 2 0 277.412 1.146 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)C(C)C ZINC001321421588 959777666 /nfs/dbraw/zinc/77/76/66/959777666.db2.gz WSJGPAYLRAYSLW-SREVYHEPSA-N 2 0 253.390 1.165 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001321533234 959839734 /nfs/dbraw/zinc/83/97/34/959839734.db2.gz SWAIZMIBIICTLP-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001322088759 960078074 /nfs/dbraw/zinc/07/80/74/960078074.db2.gz NLRFQWSDNRFPPZ-ZDUSSCGKSA-N 2 0 273.380 1.089 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001371359809 972488175 /nfs/dbraw/zinc/48/81/75/972488175.db2.gz AXEHNJGLEQBZGV-PWSUYJOCSA-N 2 0 273.808 1.175 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001323081344 960436314 /nfs/dbraw/zinc/43/63/14/960436314.db2.gz OEOOPAOCQIEUQC-INIZCTEOSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1CC ZINC001323158858 960488561 /nfs/dbraw/zinc/48/85/61/960488561.db2.gz JVEZOTXRKHQHSF-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001495729775 972611531 /nfs/dbraw/zinc/61/15/31/972611531.db2.gz GTYZPUIKBNXVFB-CYBMUJFWSA-N 2 0 267.417 1.246 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001496371179 972900215 /nfs/dbraw/zinc/90/02/15/972900215.db2.gz YVDXHQNFUFBTNL-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001498060369 973653369 /nfs/dbraw/zinc/65/33/69/973653369.db2.gz PPZDXXIGERPBMT-NWDGAFQWSA-N 2 0 273.808 1.318 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001498325491 973827876 /nfs/dbraw/zinc/82/78/76/973827876.db2.gz PZCUYGUNNYTVEZ-GFCCVEGCSA-N 2 0 286.379 1.879 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001498499006 973950776 /nfs/dbraw/zinc/95/07/76/973950776.db2.gz SOZMTAYDYLEQCB-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001374892396 974170476 /nfs/dbraw/zinc/17/04/76/974170476.db2.gz KWHADUIVBZJGDY-STQMWFEESA-N 2 0 287.835 1.708 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001499943114 974342007 /nfs/dbraw/zinc/34/20/07/974342007.db2.gz AHJDHLVRJAIPFE-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001501081176 974529212 /nfs/dbraw/zinc/52/92/12/974529212.db2.gz ZEMRXWUQZBRFHY-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001501617845 974608478 /nfs/dbraw/zinc/60/84/78/974608478.db2.gz GAIQSGMDRVFNMV-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001502029387 974677668 /nfs/dbraw/zinc/67/76/68/974677668.db2.gz WIGSQBKYFIHQBY-KBPBESRZSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001505455495 974884878 /nfs/dbraw/zinc/88/48/78/974884878.db2.gz BQSZKYYBZVRAPE-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cnc1C ZINC001506045674 975100199 /nfs/dbraw/zinc/10/01/99/975100199.db2.gz BIVHCGUCEKNRQQ-LBPRGKRZSA-N 2 0 278.400 1.663 10 30 CDEERP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001506580670 975182288 /nfs/dbraw/zinc/18/22/88/975182288.db2.gz UNRZRVWOFUPYPZ-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001506675268 975202383 /nfs/dbraw/zinc/20/23/83/975202383.db2.gz JXLQXJRMUQIIKQ-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001507023470 975298925 /nfs/dbraw/zinc/29/89/25/975298925.db2.gz QIKIFUUUEYWIOX-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001507160761 975358801 /nfs/dbraw/zinc/35/88/01/975358801.db2.gz FSAXTOCXEBKNHX-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001507451390 975475104 /nfs/dbraw/zinc/47/51/04/975475104.db2.gz QMGWFPILQDENLC-LSDHHAIUSA-N 2 0 295.471 1.975 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379358259 975796530 /nfs/dbraw/zinc/79/65/30/975796530.db2.gz LXAOCIJJOSPGFH-IJLUTSLNSA-N 2 0 273.808 1.173 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001674441425 1173947630 /nfs/dbraw/zinc/94/76/30/1173947630.db2.gz ZEVKKDGHPLCLRP-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001674774658 1174008329 /nfs/dbraw/zinc/00/83/29/1174008329.db2.gz RHFIABLAFKQBTI-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001675055171 1174071128 /nfs/dbraw/zinc/07/11/28/1174071128.db2.gz YGIVXTIRFMNXRN-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001675141157 1174079705 /nfs/dbraw/zinc/07/97/05/1174079705.db2.gz VPZVGGYTQQGBQA-CVEARBPZSA-N 2 0 295.471 1.813 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001675504058 1174121672 /nfs/dbraw/zinc/12/16/72/1174121672.db2.gz IWTLHQGTXZSSAZ-LVQVYYBASA-N 2 0 291.439 1.341 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001676414274 1174222754 /nfs/dbraw/zinc/22/27/54/1174222754.db2.gz YFVHWPZLPOMMFW-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001676480643 1174231283 /nfs/dbraw/zinc/23/12/83/1174231283.db2.gz GJRKQXRPVFTZSE-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001676766693 1174270195 /nfs/dbraw/zinc/27/01/95/1174270195.db2.gz HNGPJCYCWIFUMS-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001676893277 1174288003 /nfs/dbraw/zinc/28/80/03/1174288003.db2.gz IPRODDHWBYMQRU-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001677208508 1174334022 /nfs/dbraw/zinc/33/40/22/1174334022.db2.gz DPQDTWADAWDKTF-UHFFFAOYSA-N 2 0 293.455 1.520 10 30 CDEERP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001571649088 1170508748 /nfs/dbraw/zinc/50/87/48/1170508748.db2.gz RDCMZPXSMSLZMG-GOEBONIOSA-N 2 0 293.455 1.567 10 30 CDEERP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C1=CC[N@H+](C)CC1 ZINC000600736628 342244282 /nfs/dbraw/zinc/24/42/82/342244282.db2.gz SLQXRTLFMXWCDL-GXTWGEPZSA-N 2 0 263.385 1.281 10 30 CDEERP C[NH2+]Cc1ccccc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594426873 342904603 /nfs/dbraw/zinc/90/46/03/342904603.db2.gz RIOOQCBFJMUCCP-CYBMUJFWSA-N 2 0 274.368 1.756 10 30 CDEERP Cc1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)cc1C#N ZINC000600699722 349876096 /nfs/dbraw/zinc/87/60/96/349876096.db2.gz CGYWIZFCCUCXHW-UHFFFAOYSA-N 2 0 272.396 1.204 10 30 CDEERP C=CCC[C@@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449696679 362768168 /nfs/dbraw/zinc/76/81/68/362768168.db2.gz IVXXIRQNZOMPDX-HNNXBMFYSA-N 2 0 286.379 1.992 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001660369210 1172203766 /nfs/dbraw/zinc/20/37/66/1172203766.db2.gz RZXVSMCDWPYBIY-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCCC(C)(C)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000634725575 357704146 /nfs/dbraw/zinc/70/41/46/357704146.db2.gz XKISKGUVSWDFMJ-OAHLLOKOSA-N 2 0 283.460 1.177 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626970715 367108003 /nfs/dbraw/zinc/10/80/03/367108003.db2.gz QLQJBPVEZKDGKZ-ZFWWWQNUSA-N 2 0 294.443 1.467 10 30 CDEERP N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422995016 374366440 /nfs/dbraw/zinc/36/64/40/374366440.db2.gz WUXINSIJNNRSOY-DZGCQCFKSA-N 2 0 259.353 1.654 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000161302847 377566431 /nfs/dbraw/zinc/56/64/31/377566431.db2.gz SGNRBOMHJDHAGO-ZBFHGGJFSA-N 2 0 291.439 1.177 10 30 CDEERP C=CC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335658 412903607 /nfs/dbraw/zinc/90/36/07/412903607.db2.gz ORPPPTIAXOXDKR-ZDUSSCGKSA-N 2 0 275.400 1.185 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001662639353 1172573399 /nfs/dbraw/zinc/57/33/99/1172573399.db2.gz AFUIOPNQNDQYJC-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])NC2CC2)C1 ZINC000058184986 390498089 /nfs/dbraw/zinc/49/80/89/390498089.db2.gz IPMGGSWNQQULLB-GFCCVEGCSA-N 2 0 252.406 1.565 10 30 CDEERP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCCC#N)C[C@H]1C ZINC000339009746 391240698 /nfs/dbraw/zinc/24/06/98/391240698.db2.gz ICNYDYKSNPHLKS-ZIAGYGMSSA-N 2 0 253.390 1.721 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662669776 413287045 /nfs/dbraw/zinc/28/70/45/413287045.db2.gz UFKSVYRMDSXVQB-HNNXBMFYSA-N 2 0 265.401 1.287 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CCC[NH2+]1 ZINC000662770176 413471137 /nfs/dbraw/zinc/47/11/37/413471137.db2.gz MNAMVFGOQKSMKC-HIFRSBDPSA-N 2 0 265.401 1.141 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]C(C)C)CC1 ZINC001665887438 1173079763 /nfs/dbraw/zinc/07/97/63/1173079763.db2.gz ADNDPSJCHVNZJG-OAHLLOKOSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001667059939 1173229151 /nfs/dbraw/zinc/22/91/51/1173229151.db2.gz XNTMKFFULWRFNJ-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001667502829 1173277382 /nfs/dbraw/zinc/27/73/82/1173277382.db2.gz KLGRZRALOCAEGF-MRXNPFEDSA-N 2 0 293.455 1.472 10 30 CDEERP N#Cc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)o1 ZINC000530249650 271183224 /nfs/dbraw/zinc/18/32/24/271183224.db2.gz XJMZMZOGXWRYBA-HNNXBMFYSA-N 2 0 289.379 1.742 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001669446365 1173550459 /nfs/dbraw/zinc/55/04/59/1173550459.db2.gz GPDSPOMOGQTZJS-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)CCc1cncn1C ZINC001669728739 1173589961 /nfs/dbraw/zinc/58/99/61/1173589961.db2.gz OHHBUIVNEDGWKO-LBPRGKRZSA-N 2 0 264.373 1.023 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001669822183 1173614771 /nfs/dbraw/zinc/61/47/71/1173614771.db2.gz TUYGAJBBSBARHT-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001669867937 1173621332 /nfs/dbraw/zinc/62/13/32/1173621332.db2.gz LRBVMKBTYUCJLJ-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[N@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001671675077 1173701376 /nfs/dbraw/zinc/70/13/76/1173701376.db2.gz SPLTYFJOVDYMCM-GOEBONIOSA-N 2 0 288.395 1.438 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001672991144 1173816049 /nfs/dbraw/zinc/81/60/49/1173816049.db2.gz TYXRJPNEEZNYEI-RBSFLKMASA-N 2 0 279.428 1.224 10 30 CDEERP C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262491141 330017422 /nfs/dbraw/zinc/01/74/22/330017422.db2.gz VAJFBLLSFQVFGG-MGPQQGTHSA-N 2 0 282.432 1.142 10 30 CDEERP N#CCCC[C@H]([NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000424169720 330312087 /nfs/dbraw/zinc/31/20/87/330312087.db2.gz HGAUTRUJFUUZLD-RUXDESIVSA-N 2 0 278.400 1.141 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1CC ZINC001691510429 1160192439 /nfs/dbraw/zinc/19/24/39/1160192439.db2.gz KRWRWSCASQMWDE-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001483468706 1160927084 /nfs/dbraw/zinc/92/70/84/1160927084.db2.gz FMGQMZNBHPYEQQ-UHFFFAOYSA-N 2 0 293.436 1.495 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001670876330 1161179069 /nfs/dbraw/zinc/17/90/69/1161179069.db2.gz NKUDBJDWHJOUPJ-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001713477920 1178594475 /nfs/dbraw/zinc/59/44/75/1178594475.db2.gz JCMYYAUQXKVQQY-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001688910970 1175063327 /nfs/dbraw/zinc/06/33/27/1175063327.db2.gz VHBSTIVUPLJNDZ-QLFBSQMISA-N 2 0 279.428 1.080 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000900517759 623180749 /nfs/dbraw/zinc/18/07/49/623180749.db2.gz LPDDODGOWIQZLN-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C#CCC[NH+]1CCC(NC(=O)C(=C)CC[NH+](C)C)CC1 ZINC000900798416 623499841 /nfs/dbraw/zinc/49/98/41/623499841.db2.gz MXRHWODZMPODKZ-UHFFFAOYSA-N 2 0 277.412 1.098 10 30 CDEERP N#C[C@@H]1C[NH2+]CC12CC(c1nc([C@H]3CCC[NH2+]3)no1)C2 ZINC000905304533 626756322 /nfs/dbraw/zinc/75/63/22/626756322.db2.gz LVZPFHMEZUSSJV-JXRVJTEKSA-N 2 0 273.340 1.101 10 30 CDEERP C[N@@H+]1CCC[C@H]1CNC(NC(C)(C)C)=[NH+]CC1CC1 ZINC000912507003 630047661 /nfs/dbraw/zinc/04/76/61/630047661.db2.gz SCFDHQRORBTWLN-ZDUSSCGKSA-N 2 0 266.433 1.824 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000913661224 630728881 /nfs/dbraw/zinc/72/88/81/630728881.db2.gz FJAVDECOXBMWEW-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724543959 1158574287 /nfs/dbraw/zinc/57/42/87/1158574287.db2.gz ILHCOXLNZBZGCO-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000876774602 693893362 /nfs/dbraw/zinc/89/33/62/693893362.db2.gz AWZZBSPAOFLNGD-UONOGXRCSA-N 2 0 299.846 1.647 10 30 CDEERP C[NH+](C)C[C@@H]1CN(c2ccc(C#N)cc2)C[C@H]1C[NH+](C)C ZINC000866012868 688425904 /nfs/dbraw/zinc/42/59/04/688425904.db2.gz SWMGJTMPMFLGKZ-HZPDHXFCSA-N 2 0 286.423 1.734 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)C(C)C ZINC000178580579 688428080 /nfs/dbraw/zinc/42/80/80/688428080.db2.gz DDIRSWGIINPOHO-CHWSQXEVSA-N 2 0 254.422 1.667 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000876956984 688801222 /nfs/dbraw/zinc/80/12/22/688801222.db2.gz PWIJKLJODXKTRO-KBPBESRZSA-N 2 0 299.846 1.695 10 30 CDEERP C#CCC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001691228490 1158968129 /nfs/dbraw/zinc/96/81/29/1158968129.db2.gz WDZVBILASIZLAE-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000876971221 692662365 /nfs/dbraw/zinc/66/23/65/692662365.db2.gz DCCMXRHDYFQJHV-RAIGVLPGSA-N 2 0 287.835 1.822 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927693909 692806231 /nfs/dbraw/zinc/80/62/31/692806231.db2.gz AFOSPMJTBYVXKT-UHFFFAOYSA-N 2 0 276.384 1.272 10 30 CDEERP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867976714 692994609 /nfs/dbraw/zinc/99/46/09/692994609.db2.gz RQEUIOPKASYBAV-GJZGRUSLSA-N 2 0 298.390 1.002 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000876523675 694707135 /nfs/dbraw/zinc/70/71/35/694707135.db2.gz AYWMHUQNEWUKJN-VXGBXAGGSA-N 2 0 267.760 1.273 10 30 CDEERP C=CC[C@@H](CO)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925628329 694770118 /nfs/dbraw/zinc/77/01/18/694770118.db2.gz CWBRNHBCVORJPF-YIYPIFLZSA-N 2 0 252.402 1.537 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)OC(C)(C)C ZINC000178569674 694818070 /nfs/dbraw/zinc/81/80/70/694818070.db2.gz YCGVBGZGBWYFLL-GFCCVEGCSA-N 2 0 298.431 1.107 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001266942271 1159003792 /nfs/dbraw/zinc/00/37/92/1159003792.db2.gz LCSFCVDGTDTEPT-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000876539465 694596124 /nfs/dbraw/zinc/59/61/24/694596124.db2.gz HJPXWKCMHFCMLA-GXFFZTMASA-N 2 0 281.787 1.792 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858468 694691351 /nfs/dbraw/zinc/69/13/51/694691351.db2.gz SSFUJTBSLYURJU-QWHCGFSZSA-N 2 0 266.385 1.616 10 30 CDEERP C#CCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000779342692 694768396 /nfs/dbraw/zinc/76/83/96/694768396.db2.gz VWTSWVHHHFPQBN-SJPCQFCGSA-N 2 0 275.440 1.643 10 30 CDEERP C#CCCCCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000878247896 695052117 /nfs/dbraw/zinc/05/21/17/695052117.db2.gz LATMIXPNRUBNLD-QGZVFWFLSA-N 2 0 277.456 1.892 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001772519935 1158569735 /nfs/dbraw/zinc/56/97/35/1158569735.db2.gz JXJJTSJIACJDNL-FHERZECASA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001691410064 1159058732 /nfs/dbraw/zinc/05/87/32/1159058732.db2.gz LDFNYWVOWSKWIA-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001482290734 1160110898 /nfs/dbraw/zinc/11/08/98/1160110898.db2.gz AMCMJMPRUWPWAV-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482331141 1160155351 /nfs/dbraw/zinc/15/53/51/1160155351.db2.gz OCGXZCIINCBVOX-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001565878833 1168064528 /nfs/dbraw/zinc/06/45/28/1168064528.db2.gz ZKRVOTSRVZAZCD-KBUPBQIOSA-N 2 0 279.428 1.530 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001566863616 1168449595 /nfs/dbraw/zinc/44/95/95/1168449595.db2.gz YEWKLTVRPHMEJH-ZNMIVQPWSA-N 2 0 279.428 1.674 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001567178060 1168607386 /nfs/dbraw/zinc/60/73/86/1168607386.db2.gz JKVAAVAVRIAFAU-LSDHHAIUSA-N 2 0 279.428 1.367 10 30 CDEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001567188293 1168611760 /nfs/dbraw/zinc/61/17/60/1168611760.db2.gz KQCRQNODNSNECG-GJZGRUSLSA-N 2 0 277.412 1.027 10 30 CDEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001568027922 1169123174 /nfs/dbraw/zinc/12/31/74/1169123174.db2.gz LINMFYZDMNMGRG-HOCLYGCPSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001570265362 1170123799 /nfs/dbraw/zinc/12/37/99/1170123799.db2.gz KJDHIGYKIQBEAI-UHFFFAOYSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001570644602 1170221316 /nfs/dbraw/zinc/22/13/16/1170221316.db2.gz PZVACAWCPFNELK-ZIAGYGMSSA-N 2 0 291.439 1.224 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001571192701 1170345023 /nfs/dbraw/zinc/34/50/23/1170345023.db2.gz OKESPQIQLRCFMA-KLHDSHLOSA-N 2 0 293.455 1.777 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001650414020 1171042051 /nfs/dbraw/zinc/04/20/51/1171042051.db2.gz XKJLPNNGGJPYSK-MDZLAQPJSA-N 2 0 271.792 1.186 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001656650476 1171856216 /nfs/dbraw/zinc/85/62/16/1171856216.db2.gz GEMBHVXFASQJAJ-BMFZPTHFSA-N 2 0 291.439 1.177 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001663644994 1172737038 /nfs/dbraw/zinc/73/70/38/1172737038.db2.gz NSFBUFGMHXFGBI-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC001586975572 1172967279 /nfs/dbraw/zinc/96/72/79/1172967279.db2.gz ZWTSTZKHTSZOHQ-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)c1cccc2nccn21 ZINC001666585518 1173156572 /nfs/dbraw/zinc/15/65/72/1173156572.db2.gz ZLVJSHMFOPOPGB-CYBMUJFWSA-N 2 0 286.379 1.866 10 30 CDEERP C=CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001666939181 1173210313 /nfs/dbraw/zinc/21/03/13/1173210313.db2.gz USZWWXOXJCKVLW-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001667008436 1173221129 /nfs/dbraw/zinc/22/11/29/1173221129.db2.gz UIICDDIQDJWYDL-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCCC[NH+](C)C ZINC001667762448 1173322264 /nfs/dbraw/zinc/32/22/64/1173322264.db2.gz AWIUFOITMUWJRQ-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001668477342 1173417618 /nfs/dbraw/zinc/41/76/18/1173417618.db2.gz ALSWZRHNOMOMPI-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668972638 1173486703 /nfs/dbraw/zinc/48/67/03/1173486703.db2.gz BJKNIKNYSLSKPS-SREVYHEPSA-N 2 0 279.428 1.699 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCC1 ZINC001671555148 1173688540 /nfs/dbraw/zinc/68/85/40/1173688540.db2.gz WQYJRLBAPPTRBV-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001690544730 1175490525 /nfs/dbraw/zinc/49/05/25/1175490525.db2.gz ZRNLWNCEUWNRKE-UHFFFAOYSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001690757742 1175565876 /nfs/dbraw/zinc/56/58/76/1175565876.db2.gz OHFIQRHCVSARGB-OAHLLOKOSA-N 2 0 279.428 1.487 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001692279092 1175723490 /nfs/dbraw/zinc/72/34/90/1175723490.db2.gz AIGMSUFOMYWEFZ-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001698680216 1175894112 /nfs/dbraw/zinc/89/41/12/1175894112.db2.gz WUWBCGFKQMQYII-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001698803237 1175939565 /nfs/dbraw/zinc/93/95/65/1175939565.db2.gz LOLZFGJNEZDMNH-GJZGRUSLSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001699826726 1176645765 /nfs/dbraw/zinc/64/57/65/1176645765.db2.gz UCTAWTITCPLGSB-AWEZNQCLSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001699840640 1176652270 /nfs/dbraw/zinc/65/22/70/1176652270.db2.gz LXUCPXHSTFHONK-RDJZCZTQSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001700271294 1176826612 /nfs/dbraw/zinc/82/66/12/1176826612.db2.gz KQKLYCMDJBGCHO-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700391484 1176898052 /nfs/dbraw/zinc/89/80/52/1176898052.db2.gz ANAIGLCRHUTABA-GJZGRUSLSA-N 2 0 293.455 1.757 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700391483 1176899115 /nfs/dbraw/zinc/89/91/15/1176899115.db2.gz ANAIGLCRHUTABA-CABCVRRESA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)C[N@H+](C)CCOCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001700704347 1177082151 /nfs/dbraw/zinc/08/21/51/1177082151.db2.gz XLEVLICQPPOVPK-OAHLLOKOSA-N 2 0 297.443 1.111 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001713025022 1178312457 /nfs/dbraw/zinc/31/24/57/1178312457.db2.gz PWNNARQKHCLBIZ-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001713124561 1178382490 /nfs/dbraw/zinc/38/24/90/1178382490.db2.gz IHSWHKJSQITIBJ-HUUCEWRRSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001713613587 1178680758 /nfs/dbraw/zinc/68/07/58/1178680758.db2.gz VHZKYIHYBDLWOE-UHFFFAOYSA-N 2 0 299.378 1.505 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001714024108 1178932842 /nfs/dbraw/zinc/93/28/42/1178932842.db2.gz BYFICPWSDFAFFA-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001714047592 1178945580 /nfs/dbraw/zinc/94/55/80/1178945580.db2.gz CKNNYUXHJBFKEF-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001714155950 1178994141 /nfs/dbraw/zinc/99/41/41/1178994141.db2.gz LLVKPSCCZIRDNM-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714235570 1179039142 /nfs/dbraw/zinc/03/91/42/1179039142.db2.gz KUABUCLPPWMING-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001714268698 1179055112 /nfs/dbraw/zinc/05/51/12/1179055112.db2.gz UWOIPLYDNHFIFE-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714377784 1179112893 /nfs/dbraw/zinc/11/28/93/1179112893.db2.gz BXUGZMMWCYZCLK-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001714883656 1179436566 /nfs/dbraw/zinc/43/65/66/1179436566.db2.gz DBLKMJYATRRXDU-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001714906641 1179446948 /nfs/dbraw/zinc/44/69/48/1179446948.db2.gz UMFYOPFBDVCGKA-CVEARBPZSA-N 2 0 291.439 1.132 10 30 CDEERP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001714945312 1179471556 /nfs/dbraw/zinc/47/15/56/1179471556.db2.gz OASVYLLHLXEJAO-LSDHHAIUSA-N 2 0 281.444 1.635 10 30 CDEERP C#CCC[NH2+]CCC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001715175078 1179570183 /nfs/dbraw/zinc/57/01/83/1179570183.db2.gz JBYOZXMHWMGLRU-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715328046 1179625609 /nfs/dbraw/zinc/62/56/09/1179625609.db2.gz HXNNXBIHPLIWHS-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001715337390 1179631188 /nfs/dbraw/zinc/63/11/88/1179631188.db2.gz IAPQABNDMVRYPK-KGLIPLIRSA-N 2 0 285.407 1.126 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001715335885 1179631384 /nfs/dbraw/zinc/63/13/84/1179631384.db2.gz CROMWUDTRRCNRQ-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001715533854 1179705301 /nfs/dbraw/zinc/70/53/01/1179705301.db2.gz IWUWXAYZIXMZMR-UHFFFAOYSA-N 2 0 281.444 1.683 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001716062254 1180027399 /nfs/dbraw/zinc/02/73/99/1180027399.db2.gz DSJGAAKTPNYQQL-HOCLYGCPSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001716143613 1180069688 /nfs/dbraw/zinc/06/96/88/1180069688.db2.gz YWERVMCYLPWIQT-SOUVJXGZSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716295177 1180146468 /nfs/dbraw/zinc/14/64/68/1180146468.db2.gz KDJNCDMOFBIURV-MJSXRHKHSA-N 2 0 291.439 1.556 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001716874275 1180449582 /nfs/dbraw/zinc/44/95/82/1180449582.db2.gz KSLQMEIBVYEQGJ-RDJZCZTQSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001717085374 1180527920 /nfs/dbraw/zinc/52/79/20/1180527920.db2.gz JFFMUIFBMKPEEQ-HUUCEWRRSA-N 2 0 297.418 1.128 10 30 CDEERP C=CCCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001717588068 1180750922 /nfs/dbraw/zinc/75/09/22/1180750922.db2.gz SBRXSNCMNKPRPE-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]CCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001717672388 1180786024 /nfs/dbraw/zinc/78/60/24/1180786024.db2.gz BYAYYYFUEKWQQZ-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001717745143 1180823882 /nfs/dbraw/zinc/82/38/82/1180823882.db2.gz PRRLZYFARLPECK-CABCVRRESA-N 2 0 279.428 1.319 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001717906752 1180920817 /nfs/dbraw/zinc/92/08/17/1180920817.db2.gz ZXHTWUFIUZSABF-CQSZACIVSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]C1(CC)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001724887759 1181787517 /nfs/dbraw/zinc/78/75/17/1181787517.db2.gz XTOSVVXOBVLWOU-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001725056663 1181837909 /nfs/dbraw/zinc/83/79/09/1181837909.db2.gz DSGXKRAJNLDHSP-CQSZACIVSA-N 2 0 265.401 1.191 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001725373207 1181978728 /nfs/dbraw/zinc/97/87/28/1181978728.db2.gz VATXDYPFXWOFDR-LDKKBFSKSA-N 2 0 291.439 1.367 10 30 CDEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001725391664 1181985882 /nfs/dbraw/zinc/98/58/82/1181985882.db2.gz UOLHAPUQWHGEMA-HRCADAONSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001725456254 1182007519 /nfs/dbraw/zinc/00/75/19/1182007519.db2.gz PWNVEEDXWVVTKX-MRXNPFEDSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001725499299 1182026653 /nfs/dbraw/zinc/02/66/53/1182026653.db2.gz XLTDQQHNOCIMNG-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001725573575 1182055717 /nfs/dbraw/zinc/05/57/17/1182055717.db2.gz GOOBAWDPEWDZQH-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001725746145 1182120540 /nfs/dbraw/zinc/12/05/40/1182120540.db2.gz NDXPYNWSZZNRPM-CABCVRRESA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001731445636 1182391636 /nfs/dbraw/zinc/39/16/36/1182391636.db2.gz UCNXCBHGAYXVFE-HDJSIYSDSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001731482827 1182413640 /nfs/dbraw/zinc/41/36/40/1182413640.db2.gz HWJKNAAOBODEIY-OAGGEKHMSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001731600054 1182472815 /nfs/dbraw/zinc/47/28/15/1182472815.db2.gz GRQHQNQYMIYZNU-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731727610 1182535827 /nfs/dbraw/zinc/53/58/27/1182535827.db2.gz RGJKSQKKRJUGOV-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001731806499 1182596342 /nfs/dbraw/zinc/59/63/42/1182596342.db2.gz AULFQTWJFVRRAS-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001732168823 1182828341 /nfs/dbraw/zinc/82/83/41/1182828341.db2.gz OXLKNJIKJMFTPT-AWEZNQCLSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001732278776 1182891951 /nfs/dbraw/zinc/89/19/51/1182891951.db2.gz GFBPGFCZCMHVOQ-NVXWUHKLSA-N 2 0 291.439 1.389 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001732357897 1182924691 /nfs/dbraw/zinc/92/46/91/1182924691.db2.gz FDKVSBUOOHLKNU-SNVBAGLBSA-N 2 0 261.797 1.033 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001733126114 1183300949 /nfs/dbraw/zinc/30/09/49/1183300949.db2.gz CPTZKPDNHLHMCW-UHFFFAOYSA-N 2 0 283.460 1.979 10 30 CDEERP C=CC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001733296814 1183382003 /nfs/dbraw/zinc/38/20/03/1183382003.db2.gz KYMGKAQXRZFPSK-MRXNPFEDSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001733335355 1183400476 /nfs/dbraw/zinc/40/04/76/1183400476.db2.gz IFTAEHDSCCGTES-HUUCEWRRSA-N 2 0 291.439 1.627 10 30 CDEERP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001733409282 1183424348 /nfs/dbraw/zinc/42/43/48/1183424348.db2.gz BTMJBNMZAQHFLI-NVXWUHKLSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001733444524 1183435041 /nfs/dbraw/zinc/43/50/41/1183435041.db2.gz BTKRWKXXOAZRCN-HNNXBMFYSA-N 2 0 265.401 1.096 10 30 CDEERP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001734153668 1183676928 /nfs/dbraw/zinc/67/69/28/1183676928.db2.gz JMYLKAMJUJGMPR-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001734424031 1183773761 /nfs/dbraw/zinc/77/37/61/1183773761.db2.gz DIPPOOJMRRSUQF-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001734549514 1183820939 /nfs/dbraw/zinc/82/09/39/1183820939.db2.gz NZFPMZDXULSCGS-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000876766461 723187515 /nfs/dbraw/zinc/18/75/15/723187515.db2.gz KPXIHKYSZZTNHS-RYUDHWBXSA-N 2 0 289.851 1.939 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000877125522 723599539 /nfs/dbraw/zinc/59/95/39/723599539.db2.gz OJAAWADRSHFDOK-QWRGUYRKSA-N 2 0 259.781 1.186 10 30 CDEERP C=CCCn1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)nn1 ZINC000923495152 723630074 /nfs/dbraw/zinc/63/00/74/723630074.db2.gz ULLIUMBZPYIIGT-STQMWFEESA-N 2 0 263.389 1.271 10 30 CDEERP CC1CC[NH+](CCCNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000195522010 723670271 /nfs/dbraw/zinc/67/02/71/723670271.db2.gz DNRWUJDVJDITCO-AWEZNQCLSA-N 2 0 282.432 1.192 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000862628707 723661032 /nfs/dbraw/zinc/66/10/32/723661032.db2.gz ISBPCRKUGNWWKK-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001566694337 1168032358 /nfs/dbraw/zinc/03/23/58/1168032358.db2.gz FGWVFDNNRKUGER-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+](CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001566601066 1168353032 /nfs/dbraw/zinc/35/30/32/1168353032.db2.gz VUHOCFUJZFQCEJ-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001566732565 1168402658 /nfs/dbraw/zinc/40/26/58/1168402658.db2.gz DOZGSWLIYLCROH-CVEARBPZSA-N 2 0 293.455 1.777 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001567173544 1168605948 /nfs/dbraw/zinc/60/59/48/1168605948.db2.gz MXKHNQBKUKPMJM-JKSUJKDBSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001272543280 913404544 /nfs/dbraw/zinc/40/45/44/913404544.db2.gz DKDOKZFHMPCJHD-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001567432498 1168755377 /nfs/dbraw/zinc/75/53/77/1168755377.db2.gz GFKJFQSONKJMPA-IYBDPMFKSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001266615632 895585528 /nfs/dbraw/zinc/58/55/28/895585528.db2.gz OGYCOYPEPILSDM-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266813866 896102384 /nfs/dbraw/zinc/10/23/84/896102384.db2.gz DUEOMAYSXKIYSG-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267083415 896728197 /nfs/dbraw/zinc/72/81/97/896728197.db2.gz YHKYDNFTEJXEMV-UONOGXRCSA-N 2 0 279.428 1.674 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267157234 896948933 /nfs/dbraw/zinc/94/89/33/896948933.db2.gz KHTALAOCTOMKLM-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001267272862 897436800 /nfs/dbraw/zinc/43/68/00/897436800.db2.gz DDYHHVPNUYWHSZ-CQSZACIVSA-N 2 0 267.417 1.177 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267305744 897542170 /nfs/dbraw/zinc/54/21/70/897542170.db2.gz CGCHUSXOAWGCBK-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001267429245 897894245 /nfs/dbraw/zinc/89/42/45/897894245.db2.gz UTALNMRPNCBOTL-MRXNPFEDSA-N 2 0 297.418 1.270 10 30 CDEERP C=CC[NH+]1CC=C(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001279676279 898012081 /nfs/dbraw/zinc/01/20/81/898012081.db2.gz YMIJZCNYDZGYOF-UHFFFAOYSA-N 2 0 279.428 1.653 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001267787126 899726481 /nfs/dbraw/zinc/72/64/81/899726481.db2.gz VWHMPJZTWMXZFI-INIZCTEOSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001267815834 899801117 /nfs/dbraw/zinc/80/11/17/899801117.db2.gz RFYSLLKDAMFPFH-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001267918070 899971222 /nfs/dbraw/zinc/97/12/22/899971222.db2.gz ZQMZXFONXNCKEB-INIZCTEOSA-N 2 0 293.455 1.424 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC001268124658 901351233 /nfs/dbraw/zinc/35/12/33/901351233.db2.gz WUMWLEXJJTVFLC-MRXNPFEDSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001268200830 901555000 /nfs/dbraw/zinc/55/50/00/901555000.db2.gz YCJRBTKAUCQGMJ-MRXNPFEDSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001481660627 901747873 /nfs/dbraw/zinc/74/78/73/901747873.db2.gz KSKDQUDDJPXPGZ-GASCZTMLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001268457686 902158983 /nfs/dbraw/zinc/15/89/83/902158983.db2.gz MYBFEDRXSUONJT-ZDUSSCGKSA-N 2 0 255.406 1.197 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001481941874 902383807 /nfs/dbraw/zinc/38/38/07/902383807.db2.gz YIAQTTJVGXAOBU-XJKSGUPXSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001482065452 902585022 /nfs/dbraw/zinc/58/50/22/902585022.db2.gz AHJDHLVRJAIPFE-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001268711274 902997451 /nfs/dbraw/zinc/99/74/51/902997451.db2.gz WJSDPTKZYQWVQT-HOCLYGCPSA-N 2 0 289.423 1.960 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001483767146 914732592 /nfs/dbraw/zinc/73/25/92/914732592.db2.gz ASWUTGPQJFTZMU-UHFFFAOYSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001269332017 903703302 /nfs/dbraw/zinc/70/33/02/903703302.db2.gz MNOBWDDGBCDFQN-HUUCEWRRSA-N 2 0 291.439 1.627 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001269356576 903729825 /nfs/dbraw/zinc/72/98/25/903729825.db2.gz RPOYRNRBZWHOGI-HNNXBMFYSA-N 2 0 279.428 1.581 10 30 CDEERP C=CC[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001269736944 904075543 /nfs/dbraw/zinc/07/55/43/904075543.db2.gz OJNDVDAYHFUMEK-INIZCTEOSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001271517418 906496055 /nfs/dbraw/zinc/49/60/55/906496055.db2.gz DWXOWUBRFYJIEG-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001271548310 906507316 /nfs/dbraw/zinc/50/73/16/906507316.db2.gz CFGPZVFVYNXMCS-CABCVRRESA-N 2 0 291.439 1.485 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001271701595 906599983 /nfs/dbraw/zinc/59/99/83/906599983.db2.gz YRWOFEXIKSAMQM-JKSUJKDBSA-N 2 0 293.455 1.426 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001482532480 906873212 /nfs/dbraw/zinc/87/32/12/906873212.db2.gz SELLCBDATKPDKW-RBSFLKMASA-N 2 0 279.428 1.080 10 30 CDEERP C=CCCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001271890901 906939226 /nfs/dbraw/zinc/93/92/26/906939226.db2.gz DDSWDABDQSRVHE-IYBDPMFKSA-N 2 0 291.439 1.439 10 30 CDEERP C#CCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]21 ZINC001272223027 909222017 /nfs/dbraw/zinc/22/20/17/909222017.db2.gz CCBFNGLCUHPKFP-JKSUJKDBSA-N 2 0 291.439 1.273 10 30 CDEERP C=CC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000714994624 909774080 /nfs/dbraw/zinc/77/40/80/909774080.db2.gz ACIWOJFHOXLKAU-ZNMIVQPWSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001483284019 910790375 /nfs/dbraw/zinc/79/03/75/910790375.db2.gz XHQJNNJSOPBVOF-ZDUSSCGKSA-N 2 0 279.428 1.389 10 30 CDEERP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CCC)CC1 ZINC001483988775 915270201 /nfs/dbraw/zinc/27/02/01/915270201.db2.gz NDTWOKJMBGWBHC-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001484466051 915792473 /nfs/dbraw/zinc/79/24/73/915792473.db2.gz RRSNLJMXOGKPMU-HUUCEWRRSA-N 2 0 277.412 1.027 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001485260716 916706249 /nfs/dbraw/zinc/70/62/49/916706249.db2.gz OWOOYGNXXNTTDY-AWEZNQCLSA-N 2 0 279.428 1.036 10 30 CDEERP C#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001279169612 917221602 /nfs/dbraw/zinc/22/16/02/917221602.db2.gz HLGDYGCWCPDZAY-HOTGVXAUSA-N 2 0 291.439 1.036 10 30 CDEERP C=CC[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001485762917 917264768 /nfs/dbraw/zinc/26/47/68/917264768.db2.gz KOTZWLZJNIZFBZ-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001568240927 1169193671 /nfs/dbraw/zinc/19/36/71/1169193671.db2.gz YMLKDJCKJVZPFD-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485915410 920572693 /nfs/dbraw/zinc/57/26/93/920572693.db2.gz XEOCREOPBVACFJ-KKUMJFAQSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH+]1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001486490949 921065896 /nfs/dbraw/zinc/06/58/96/921065896.db2.gz LKWQYSBMDBMBNQ-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001276388527 936725740 /nfs/dbraw/zinc/72/57/40/936725740.db2.gz IQTLGRFYYUCJSK-ZFWWWQNUSA-N 2 0 279.428 1.032 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001491153413 936865907 /nfs/dbraw/zinc/86/59/07/936865907.db2.gz KVPBYORJQWWASC-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000852206387 927739766 /nfs/dbraw/zinc/73/97/66/927739766.db2.gz IVZZZULAYYSVQV-GJZGRUSLSA-N 2 0 252.402 1.423 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001274153731 931206774 /nfs/dbraw/zinc/20/67/74/931206774.db2.gz MHYKPMAKEVAMDR-FYCOFBDGSA-N 2 0 291.439 1.392 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H](CC)[NH+](C)C ZINC001274511163 931505335 /nfs/dbraw/zinc/50/53/35/931505335.db2.gz OFYFLRRDLWMGRJ-SBDDDAINSA-N 2 0 253.390 1.165 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001274654889 931531925 /nfs/dbraw/zinc/53/19/25/931531925.db2.gz POOUWOSFZFTBKC-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001274748190 931566241 /nfs/dbraw/zinc/56/62/41/931566241.db2.gz VGVWFSSJXYIMMR-ZDUSSCGKSA-N 2 0 299.378 1.551 10 30 CDEERP C=C(C)C[C@@H](CO)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000925769182 932938069 /nfs/dbraw/zinc/93/80/69/932938069.db2.gz BMXATTACEHQMGM-KBPBESRZSA-N 2 0 298.427 1.225 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CCCC1 ZINC001278241692 945204611 /nfs/dbraw/zinc/20/46/11/945204611.db2.gz RJOOZXGWKVKASR-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001276432357 939717346 /nfs/dbraw/zinc/71/73/46/939717346.db2.gz MBJVAVALRXJCIY-UONOGXRCSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001276602014 940408493 /nfs/dbraw/zinc/40/84/93/940408493.db2.gz VNBNKNDAYXIXIB-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277271823 942277301 /nfs/dbraw/zinc/27/73/01/942277301.db2.gz LARVENCDELMQBX-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001277298991 942314208 /nfs/dbraw/zinc/31/42/08/942314208.db2.gz KJTGCTOYVRPQMF-OAHLLOKOSA-N 2 0 295.471 1.862 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001280197485 942422928 /nfs/dbraw/zinc/42/29/28/942422928.db2.gz ILIQMAIJHORPED-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001282240007 942683027 /nfs/dbraw/zinc/68/30/27/942683027.db2.gz AYJIFBZMUMKSLG-OLZOCXBDSA-N 2 0 255.406 1.386 10 30 CDEERP C=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001277495448 942818515 /nfs/dbraw/zinc/81/85/15/942818515.db2.gz CXFQWBCZIGIYNR-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]C(C)C ZINC001283188107 942850094 /nfs/dbraw/zinc/85/00/94/942850094.db2.gz DFTOYWDCXSAGGW-GJZGRUSLSA-N 2 0 279.428 1.367 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001284784900 943258651 /nfs/dbraw/zinc/25/86/51/943258651.db2.gz YUHLVLNVTMKMFW-NRXISQOPSA-N 2 0 279.428 1.626 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316635935 943289751 /nfs/dbraw/zinc/28/97/51/943289751.db2.gz XONGFTCQJXPXIS-HDJSIYSDSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C ZINC001332804839 943306497 /nfs/dbraw/zinc/30/64/97/943306497.db2.gz BKSUMTHFKPMAAO-KGLIPLIRSA-N 2 0 299.434 1.420 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001332299319 943721573 /nfs/dbraw/zinc/72/15/73/943721573.db2.gz AAAUQXARSNNUJG-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001263811907 943983165 /nfs/dbraw/zinc/98/31/65/943983165.db2.gz CGVDWIDEVUUFKS-CABCVRRESA-N 2 0 281.444 1.826 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001263833808 943994921 /nfs/dbraw/zinc/99/49/21/943994921.db2.gz NJMLGHBJXCCWDI-XUWVNRHRSA-N 2 0 291.439 1.224 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001263868490 944014065 /nfs/dbraw/zinc/01/40/65/944014065.db2.gz JLUZRWNSLNYDGG-RBSFLKMASA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001263878365 944017862 /nfs/dbraw/zinc/01/78/62/944017862.db2.gz VHBSTIVUPLJNDZ-RBSFLKMASA-N 2 0 279.428 1.080 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001263928191 944035194 /nfs/dbraw/zinc/03/51/94/944035194.db2.gz USKONYBBOMVIRE-XHSDSOJGSA-N 2 0 293.455 1.470 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1CC ZINC001264067703 944071925 /nfs/dbraw/zinc/07/19/25/944071925.db2.gz NTMZDEBAJPTMJV-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264478507 944140863 /nfs/dbraw/zinc/14/08/63/944140863.db2.gz FFCYBJRNROYZQD-ZNMIVQPWSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001265095254 944228260 /nfs/dbraw/zinc/22/82/60/944228260.db2.gz SCDBHFRSMHZGHF-CABCVRRESA-N 2 0 279.428 1.319 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265287471 944323760 /nfs/dbraw/zinc/32/37/60/944323760.db2.gz AJZULKXAMOTDIK-CYBMUJFWSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001265558337 944429058 /nfs/dbraw/zinc/42/90/58/944429058.db2.gz VSBAIVXCZBDWKC-OKILXGFUSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001265597055 944442621 /nfs/dbraw/zinc/44/26/21/944442621.db2.gz PNECMPCTLQIYAB-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001277981653 944471593 /nfs/dbraw/zinc/47/15/93/944471593.db2.gz OBTUBKQRRHNPEA-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001265942187 944586251 /nfs/dbraw/zinc/58/62/51/944586251.db2.gz YLFIPALIQGXZSI-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001279274379 944789269 /nfs/dbraw/zinc/78/92/69/944789269.db2.gz YGFJIESPOCKGMV-YMAMQOFZSA-N 2 0 279.428 1.626 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001479371438 971314208 /nfs/dbraw/zinc/31/42/08/971314208.db2.gz PPWWQNZMHHMBOE-SHTZXODSSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001479833340 971440958 /nfs/dbraw/zinc/44/09/58/971440958.db2.gz XVYCBQWSCFUOKI-CVEARBPZSA-N 2 0 293.455 1.709 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001278917750 948223759 /nfs/dbraw/zinc/22/37/59/948223759.db2.gz HOSTXHUPNDICRC-AWEZNQCLSA-N 2 0 267.417 1.129 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001278497616 948926489 /nfs/dbraw/zinc/92/64/89/948926489.db2.gz CTHWWPKPQAUFKT-INMHGKMJSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001480365903 971689457 /nfs/dbraw/zinc/68/94/57/971689457.db2.gz MXZIIVWRKSRUGW-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001493083572 971942128 /nfs/dbraw/zinc/94/21/28/971942128.db2.gz JQJJRWIPVHEBAX-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569153297 1169695707 /nfs/dbraw/zinc/69/57/07/1169695707.db2.gz RUCJXDPEXCOXDC-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001493138840 971958637 /nfs/dbraw/zinc/95/86/37/971958637.db2.gz XXMBSIPFGZWGJK-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001326351056 954333461 /nfs/dbraw/zinc/33/34/61/954333461.db2.gz DMSVXSOOOSZPRP-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001493334040 972019315 /nfs/dbraw/zinc/01/93/15/972019315.db2.gz LCRIXXVOZRWMTJ-IYBDPMFKSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001328103881 955191950 /nfs/dbraw/zinc/19/19/50/955191950.db2.gz XOSYIIUOMVLWOC-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001328903766 955544740 /nfs/dbraw/zinc/54/47/40/955544740.db2.gz DPRJHMQPEONEJH-UIDBIOKJSA-N 2 0 291.439 1.224 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001328938060 955565561 /nfs/dbraw/zinc/56/55/61/955565561.db2.gz IBUKGZOIRVPCOG-UHFFFAOYSA-N 2 0 291.439 1.224 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1CC ZINC001316733373 956192733 /nfs/dbraw/zinc/19/27/33/956192733.db2.gz ALXXXUKSTKKYNH-JKSUJKDBSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001494387848 972223362 /nfs/dbraw/zinc/22/33/62/972223362.db2.gz SVUXMPUEBKLYDY-CWRNSKLLSA-N 2 0 293.455 1.872 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001317091310 956954970 /nfs/dbraw/zinc/95/49/70/956954970.db2.gz PVNMLROBGBNIKV-RBSFLKMASA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001316844168 957065537 /nfs/dbraw/zinc/06/55/37/957065537.db2.gz JCWLEKQBJBQBHC-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317045815 957223737 /nfs/dbraw/zinc/22/37/37/957223737.db2.gz RLFKPBKUMVGKIZ-HZPDHXFCSA-N 2 0 291.439 1.132 10 30 CDEERP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317042733 957223836 /nfs/dbraw/zinc/22/38/36/957223836.db2.gz GJPVZBRZXBCMKO-HZPDHXFCSA-N 2 0 293.455 1.520 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317078220 957253323 /nfs/dbraw/zinc/25/33/23/957253323.db2.gz KPGGGKOVKQADQC-AAVRWANBSA-N 2 0 265.401 1.140 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317114761 957280384 /nfs/dbraw/zinc/28/03/84/957280384.db2.gz GANKNVIOXBIRNT-MJBXVCDLSA-N 2 0 265.401 1.284 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001317272615 957395543 /nfs/dbraw/zinc/39/55/43/957395543.db2.gz ZSKURMUAQZLIGI-OLZOCXBDSA-N 2 0 278.400 1.649 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317320946 957422539 /nfs/dbraw/zinc/42/25/39/957422539.db2.gz CSWZGDQKRGQLID-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001317381721 957442428 /nfs/dbraw/zinc/44/24/28/957442428.db2.gz BVDKOMSIWLVIAS-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH+]1CCC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001333004491 958009079 /nfs/dbraw/zinc/00/90/79/958009079.db2.gz KXWQZLPPZKNTBB-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001318564145 958173514 /nfs/dbraw/zinc/17/35/14/958173514.db2.gz YELPTPNRVGLNKR-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494864886 972326099 /nfs/dbraw/zinc/32/60/99/972326099.db2.gz VYVWDSFPMALNSU-GJZGRUSLSA-N 2 0 281.444 1.681 10 30 CDEERP C=CCCC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001494874112 972327798 /nfs/dbraw/zinc/32/77/98/972327798.db2.gz DPMJUMNLUUAGFV-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001318802907 958268526 /nfs/dbraw/zinc/26/85/26/958268526.db2.gz CSIAHESGJIBBSI-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001318846664 958279678 /nfs/dbraw/zinc/27/96/78/958279678.db2.gz UQUILWQAUYBITQ-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001319473010 958583913 /nfs/dbraw/zinc/58/39/13/958583913.db2.gz NDZHANUQBZORCN-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001319633451 958665170 /nfs/dbraw/zinc/66/51/70/958665170.db2.gz HTAYOJAOAQOPSM-CABCVRRESA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001321057135 959564130 /nfs/dbraw/zinc/56/41/30/959564130.db2.gz NMGLFVWUSQRGMN-IYKSTZQJSA-N 2 0 279.428 1.697 10 30 CDEERP C#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001495247819 972457175 /nfs/dbraw/zinc/45/71/75/972457175.db2.gz FYWXPJHVIPGDKW-WBVHZDCISA-N 2 0 291.439 1.367 10 30 CDEERP C=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001322306145 960177905 /nfs/dbraw/zinc/17/79/05/960177905.db2.gz IHXVMIIFWVCKLY-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001569656008 1169956094 /nfs/dbraw/zinc/95/60/94/1169956094.db2.gz ZZDRLEBFOFWGQN-KRWDZBQOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001498401553 973889837 /nfs/dbraw/zinc/88/98/37/973889837.db2.gz ZRBLNJASDYBFGS-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001498504659 973952881 /nfs/dbraw/zinc/95/28/81/973952881.db2.gz PASAGJVTNXRCHN-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH+]1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001499101307 974185452 /nfs/dbraw/zinc/18/54/52/974185452.db2.gz XDEYZQXQLDKDPX-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001499420791 974252291 /nfs/dbraw/zinc/25/22/91/974252291.db2.gz JXIFXCLIBIZOQZ-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CCC)CCC1 ZINC001502019119 974676172 /nfs/dbraw/zinc/67/61/72/974676172.db2.gz NRHZGYNIEAIXMG-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001506754186 975216818 /nfs/dbraw/zinc/21/68/18/975216818.db2.gz VNCUUMLPMNXLRK-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001507023468 975298485 /nfs/dbraw/zinc/29/84/85/975298485.db2.gz QIKIFUUUEYWIOX-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001507443905 975472971 /nfs/dbraw/zinc/47/29/71/975472971.db2.gz RNMLNMAVBDTDFG-LSDHHAIUSA-N 2 0 293.455 1.423 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001398676269 976103235 /nfs/dbraw/zinc/10/32/35/976103235.db2.gz ZJXMIYAUBDTBOU-FRRDWIJNSA-N 2 0 287.835 1.562 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001393029622 977679546 /nfs/dbraw/zinc/67/95/46/977679546.db2.gz AOCZWZDEXOFIOV-CHWSQXEVSA-N 2 0 287.835 1.660 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001674674503 1173985575 /nfs/dbraw/zinc/98/55/75/1173985575.db2.gz SXLCPFDYBAGZDD-ZIAGYGMSSA-N 2 0 281.444 1.920 10 30 CDEERP C[NH+](C)CC#CCNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001676930076 1174294325 /nfs/dbraw/zinc/29/43/25/1174294325.db2.gz IUCZWUXWRMUFSS-UHFFFAOYSA-N 2 0 294.443 1.067 10 30 CDEERP C=CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001570897456 1170313660 /nfs/dbraw/zinc/31/36/60/1170313660.db2.gz RRNWOUOKWBGOBN-AWEZNQCLSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571388593 1170405188 /nfs/dbraw/zinc/40/51/88/1170405188.db2.gz SYPYGQBFCZZRLL-BFHYXJOUSA-N 2 0 267.417 1.339 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001656830953 1171884359 /nfs/dbraw/zinc/88/43/59/1171884359.db2.gz PZWRJDPNQWJUSF-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000594427060 342897163 /nfs/dbraw/zinc/89/71/63/342897163.db2.gz SOPLCHTYZDMSFL-AWEZNQCLSA-N 2 0 278.400 1.141 10 30 CDEERP CCN(CCC[NH+](C)C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594439044 342906744 /nfs/dbraw/zinc/90/67/44/342906744.db2.gz ZKAQMFHJJOCBDD-CYBMUJFWSA-N 2 0 268.405 1.198 10 30 CDEERP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)CC[N@@H+]1C ZINC000600723787 342244985 /nfs/dbraw/zinc/24/49/85/342244985.db2.gz LZLYLDCRIPYMGM-AGIUHOORSA-N 2 0 251.374 1.113 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000237912430 390889738 /nfs/dbraw/zinc/88/97/38/390889738.db2.gz DJDPYDQHVVAPEE-STQMWFEESA-N 2 0 265.401 1.271 10 30 CDEERP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423199035 397602411 /nfs/dbraw/zinc/60/24/11/397602411.db2.gz AFYROINKRSACGA-LBPRGKRZSA-N 2 0 276.359 1.253 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001664819120 1172917361 /nfs/dbraw/zinc/91/73/61/1172917361.db2.gz ZPMARSSHYSZURB-HUUCEWRRSA-N 2 0 281.444 1.683 10 30 CDEERP C=CC[C@]1(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCC[NH2+]1 ZINC000662767265 413462847 /nfs/dbraw/zinc/46/28/47/413462847.db2.gz SWNIVAYYXZLSAC-TTZDDIAXSA-N 2 0 277.412 1.271 10 30 CDEERP C=CC[C@@]1(C(=O)N(C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662767796 413466828 /nfs/dbraw/zinc/46/68/28/413466828.db2.gz XJEGEYPDNZUUSP-HNNXBMFYSA-N 2 0 265.401 1.237 10 30 CDEERP C=CC[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000662771204 413470259 /nfs/dbraw/zinc/47/02/59/413470259.db2.gz VJDSSDFCHANGBA-GUTXKFCHSA-N 2 0 263.385 1.038 10 30 CDEERP C=CC[C@@]1(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CCC[NH2+]1 ZINC000662783272 413492602 /nfs/dbraw/zinc/49/26/02/413492602.db2.gz DHSDXTLQHYTCKT-INIZCTEOSA-N 2 0 271.364 1.927 10 30 CDEERP C=CC[C@@]1(C(=O)NC2CC([NH+]3CCCCC3)C2)CCC[NH2+]1 ZINC000662793328 413513249 /nfs/dbraw/zinc/51/32/49/413513249.db2.gz KMOXHPSXSDQNRU-DQPZFDDXSA-N 2 0 291.439 1.818 10 30 CDEERP C=CC[C@@]1(C(=O)NCC2([NH3+])CCCC2)CCC[NH2+]1 ZINC000662864066 413625857 /nfs/dbraw/zinc/62/58/57/413625857.db2.gz HYYYXJZDAXDZDS-AWEZNQCLSA-N 2 0 251.374 1.072 10 30 CDEERP C[N@H+](Cc1cc(C#CC[NH3+])cs1)[C@@H]1CCSC1 ZINC000043688897 175095856 /nfs/dbraw/zinc/09/58/56/175095856.db2.gz PVGQPLPDRWOZOO-GFCCVEGCSA-N 2 0 266.435 1.996 10 30 CDEERP N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044530264 175195145 /nfs/dbraw/zinc/19/51/45/175195145.db2.gz YDHVVQASQVIKSM-LLVKDONJSA-N 2 0 292.408 1.619 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC(C)C ZINC001666562970 1173151921 /nfs/dbraw/zinc/15/19/21/1173151921.db2.gz FLFSDTRVXQMRPW-HOTGVXAUSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001666655913 1173168120 /nfs/dbraw/zinc/16/81/20/1173168120.db2.gz DVKXTWPEFSTYNC-WBVHZDCISA-N 2 0 293.455 1.780 10 30 CDEERP CO[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](OC)C2)C1 ZINC000341878430 263362574 /nfs/dbraw/zinc/36/25/74/263362574.db2.gz UKKRVOSORZZIEO-HOTGVXAUSA-N 2 0 280.412 1.211 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001667502828 1173276748 /nfs/dbraw/zinc/27/67/48/1173276748.db2.gz KLGRZRALOCAEGF-INIZCTEOSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001267142760 1159136237 /nfs/dbraw/zinc/13/62/37/1159136237.db2.gz VYMRNXUBIOQDSM-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP [NH2+]=C(NCc1cccnc1-n1ccnc1)NCC1CCC1 ZINC000170912436 329072313 /nfs/dbraw/zinc/07/23/13/329072313.db2.gz JMNHSGJNGFZTCW-UHFFFAOYSA-N 2 0 284.367 1.472 10 30 CDEERP C[NH+]=C(NCc1ccco1)NC1CC([NH+]2CCCCC2)C1 ZINC000262404388 330008438 /nfs/dbraw/zinc/00/84/38/330008438.db2.gz RKPYGYJQLHHBRS-UHFFFAOYSA-N 2 0 290.411 1.962 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691476585 1159335365 /nfs/dbraw/zinc/33/53/65/1159335365.db2.gz MXIMQLCYIRGJGH-INIZCTEOSA-N 2 0 299.434 1.823 10 30 CDEERP C=CCCC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001699641470 1176540460 /nfs/dbraw/zinc/54/04/60/1176540460.db2.gz CGBVCTQTLKOWAE-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001672537488 1159751870 /nfs/dbraw/zinc/75/18/70/1159751870.db2.gz IKVGGUYIOQHMBL-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001268083976 1159783272 /nfs/dbraw/zinc/78/32/72/1159783272.db2.gz DGJDQDPLSPDUCW-KBPBESRZSA-N 2 0 269.433 1.729 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001483512103 1160932467 /nfs/dbraw/zinc/93/24/67/1160932467.db2.gz OYQDMICSVDVQDU-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001731616534 1182480830 /nfs/dbraw/zinc/48/08/30/1182480830.db2.gz NHUOMVBIAFVSJD-RDBSUJKOSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001733880135 1183556808 /nfs/dbraw/zinc/55/68/08/1183556808.db2.gz XKCDNTRXMIZXTI-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C[NH+](C)CC1CC[NH+](CC[C@@H](C#N)NC2CC2)CC1 ZINC000062436823 524049952 /nfs/dbraw/zinc/04/99/52/524049952.db2.gz RQOCBCGIVWAEIA-HNNXBMFYSA-N 2 0 264.417 1.294 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001698557849 1174845319 /nfs/dbraw/zinc/84/53/19/1174845319.db2.gz ODJREDAMVLBKSZ-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000764504213 575916741 /nfs/dbraw/zinc/91/67/41/575916741.db2.gz AITQRIKTKQGRBO-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C=CC[C@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000758002679 577066497 /nfs/dbraw/zinc/06/64/97/577066497.db2.gz GUOCJNIKMJYFDN-MRXNPFEDSA-N 2 0 289.423 1.465 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001689298462 1175141054 /nfs/dbraw/zinc/14/10/54/1175141054.db2.gz DINZMZDMVBYFIX-KFWWJZLASA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001690165477 1175393178 /nfs/dbraw/zinc/39/31/78/1175393178.db2.gz ZVINGVUBNGKXDC-AEGPPILISA-N 2 0 279.428 1.387 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001690295522 1175430974 /nfs/dbraw/zinc/43/09/74/1175430974.db2.gz ZBDUGYLRFGSGDV-KLHDSHLOSA-N 2 0 291.439 1.367 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941220810 613580866 /nfs/dbraw/zinc/58/08/66/613580866.db2.gz IDPXFIKZEPWZTD-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941220809 613599335 /nfs/dbraw/zinc/59/93/35/613599335.db2.gz IDPXFIKZEPWZTD-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166908 613780285 /nfs/dbraw/zinc/78/02/85/613780285.db2.gz LOTCAPGKRVDFJO-AWEZNQCLSA-N 2 0 291.439 1.485 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000900794499 623492757 /nfs/dbraw/zinc/49/27/57/623492757.db2.gz XFJSLQSSLYZIMS-OAHLLOKOSA-N 2 0 279.428 1.439 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000901134341 623892836 /nfs/dbraw/zinc/89/28/36/623892836.db2.gz GOSRCYDNZWMJTL-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CC)C1CC[NH+](C)CC1 ZINC000908914833 628414057 /nfs/dbraw/zinc/41/40/57/628414057.db2.gz ZQXBFEQAQKAROC-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000912602559 630094142 /nfs/dbraw/zinc/09/41/42/630094142.db2.gz VULMGRIWKDVVDH-CHWSQXEVSA-N 2 0 265.401 1.093 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000876751703 630562422 /nfs/dbraw/zinc/56/24/22/630562422.db2.gz VTIBXVCMLBZNBS-ONGXEEELSA-N 2 0 259.781 1.055 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000876772224 630564896 /nfs/dbraw/zinc/56/48/96/630564896.db2.gz JXPHWUNRWAHTCF-CHWSQXEVSA-N 2 0 287.835 1.789 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000876772227 630564979 /nfs/dbraw/zinc/56/49/79/630564979.db2.gz JXPHWUNRWAHTCF-STQMWFEESA-N 2 0 287.835 1.789 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+](CC)CCC)CC1 ZINC000921181220 632892428 /nfs/dbraw/zinc/89/24/28/632892428.db2.gz GNYMNUYKEKTUKU-UHFFFAOYSA-N 2 0 294.443 1.115 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001691968116 1158506430 /nfs/dbraw/zinc/50/64/30/1158506430.db2.gz BPYOTVTZJJGSSD-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C[C@@H](C)CC)CC1 ZINC001772517092 1158551795 /nfs/dbraw/zinc/55/17/95/1158551795.db2.gz JHCRPTPRNYDPDK-GJZGRUSLSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000877180531 695223476 /nfs/dbraw/zinc/22/34/76/695223476.db2.gz ZBLBYUQJHCNXTJ-GMTAPVOTSA-N 2 0 259.781 1.090 10 30 CDEERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C#CC2CC[NH2+]CC2)C[C@H]1C ZINC000852870404 695286323 /nfs/dbraw/zinc/28/63/23/695286323.db2.gz NPBCNNZZAGZGLP-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000876748377 695391584 /nfs/dbraw/zinc/39/15/84/695391584.db2.gz ABHZONNUMDEJNW-VXGBXAGGSA-N 2 0 271.792 1.153 10 30 CDEERP CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000789804283 695489308 /nfs/dbraw/zinc/48/93/08/695489308.db2.gz MDJMBWYEPYFVJK-CABCVRRESA-N 2 0 282.428 1.850 10 30 CDEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001691347966 1159030217 /nfs/dbraw/zinc/03/02/17/1159030217.db2.gz VJHYFVOJEAKIIR-PMPSAXMXSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923504229 695693753 /nfs/dbraw/zinc/69/37/53/695693753.db2.gz VMADBJCXANEHHD-CABCVRRESA-N 2 0 293.455 1.779 10 30 CDEERP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1C#N ZINC000925836738 696008843 /nfs/dbraw/zinc/00/88/43/696008843.db2.gz CLEJIFDKIUAVNJ-APHBMKBZSA-N 2 0 273.380 1.709 10 30 CDEERP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(CC#N)CC1)[NH2+]2 ZINC000925609077 696150360 /nfs/dbraw/zinc/15/03/60/696150360.db2.gz OLDZZMXNOMIQTF-MHEUCROKSA-N 2 0 262.401 1.093 10 30 CDEERP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001283173575 1158836747 /nfs/dbraw/zinc/83/67/47/1158836747.db2.gz MHPRRHYAFPCCCS-HOCLYGCPSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001699021130 1159207107 /nfs/dbraw/zinc/20/71/07/1159207107.db2.gz OOQFMPNKEKOXFS-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001268564512 1159971661 /nfs/dbraw/zinc/97/16/61/1159971661.db2.gz UTQLPRDNWIFRGL-ARJAWSKDSA-N 2 0 263.385 1.063 10 30 CDEERP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001700475285 1160678408 /nfs/dbraw/zinc/67/84/08/1160678408.db2.gz WDFONIJJAOFDRF-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP CCNC(NC[C@H]1CC[N@@H+]1C1CCCC1)=[NH+]CC ZINC000864355961 1164528792 /nfs/dbraw/zinc/52/87/92/1164528792.db2.gz LPAVRDOFICRTRB-CYBMUJFWSA-N 2 0 252.406 1.578 10 30 CDEERP N#Cc1ccc2c(c1)C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C2 ZINC000872238363 1165400782 /nfs/dbraw/zinc/40/07/82/1165400782.db2.gz GMAZVNTUXYRXEJ-SJORKVTESA-N 2 0 285.391 1.072 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)CC[N@H+]2CC[C@@H](F)C2)CC1 ZINC001616329934 1165565313 /nfs/dbraw/zinc/56/53/13/1165565313.db2.gz BLBADWIVKXMDJX-CYBMUJFWSA-N 2 0 283.391 1.187 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001566508079 1168316618 /nfs/dbraw/zinc/31/66/18/1168316618.db2.gz RKKOXHWUZUCSPT-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001567135756 1168590275 /nfs/dbraw/zinc/59/02/75/1168590275.db2.gz ORVGVBGKYALYLA-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001567154271 1168600085 /nfs/dbraw/zinc/60/00/85/1168600085.db2.gz CJRXEDXIHMTVKH-MRXNPFEDSA-N 2 0 299.418 1.433 10 30 CDEERP C=CC[NH2+][C@H]1CC[C@H](NC(=O)CCCn2ccnc2)CC1 ZINC001568114804 1169139059 /nfs/dbraw/zinc/13/90/59/1169139059.db2.gz OZKDOLWXMABBLS-SHTZXODSSA-N 2 0 290.411 1.866 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001569381482 1169832780 /nfs/dbraw/zinc/83/27/80/1169832780.db2.gz QVHXFHVHUNPMHM-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001569860559 1170020654 /nfs/dbraw/zinc/02/06/54/1170020654.db2.gz WIYLGBYNJQNKJB-MUJYYYPQSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001570126574 1170088057 /nfs/dbraw/zinc/08/80/57/1170088057.db2.gz VLHMFIIQMKVBFN-UHFFFAOYSA-N 2 0 279.428 1.677 10 30 CDEERP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001570186226 1170105021 /nfs/dbraw/zinc/10/50/21/1170105021.db2.gz ZETMKQZCLMTBSS-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH2+]C1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001662113462 1172484858 /nfs/dbraw/zinc/48/48/58/1172484858.db2.gz OXBQHNWECLVSNA-NRXISQOPSA-N 2 0 279.428 1.223 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001664227809 1172827463 /nfs/dbraw/zinc/82/74/63/1172827463.db2.gz WZUOQPAICKROOA-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001665336906 1172983902 /nfs/dbraw/zinc/98/39/02/1172983902.db2.gz LXWKJGXDQFCNIQ-UHFFFAOYSA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001669200763 1173516831 /nfs/dbraw/zinc/51/68/31/1173516831.db2.gz IMWIJOLVZRSVIX-VOTSOKGWSA-N 2 0 299.418 1.647 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC=C)C2)CC1 ZINC001674612833 1173968700 /nfs/dbraw/zinc/96/87/00/1173968700.db2.gz ZQTJLDJKYIPLEP-UHFFFAOYSA-N 2 0 289.423 1.002 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001691790271 1175627819 /nfs/dbraw/zinc/62/78/19/1175627819.db2.gz NTNXXLKXVQPMHR-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001691860117 1175638616 /nfs/dbraw/zinc/63/86/16/1175638616.db2.gz CWKUGZZDPKBKDN-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001692195479 1175698693 /nfs/dbraw/zinc/69/86/93/1175698693.db2.gz LCVVPRLUQRVTCY-CZUORRHYSA-N 2 0 291.439 1.483 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001698654801 1175887771 /nfs/dbraw/zinc/88/77/71/1175887771.db2.gz XHZZEVHVHGLCLT-BBRMVZONSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001698844739 1175960574 /nfs/dbraw/zinc/96/05/74/1175960574.db2.gz FBJKRUKKELWCOG-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001698945229 1175991353 /nfs/dbraw/zinc/99/13/53/1175991353.db2.gz GNWRHTBBDGHQFO-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001698988020 1176013590 /nfs/dbraw/zinc/01/35/90/1176013590.db2.gz MGUCJROAJKBALZ-LSDHHAIUSA-N 2 0 279.428 1.130 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001699141789 1176110589 /nfs/dbraw/zinc/11/05/89/1176110589.db2.gz KZFQRGDCCFTZFP-OLZOCXBDSA-N 2 0 278.400 1.649 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001699773109 1176617173 /nfs/dbraw/zinc/61/71/73/1176617173.db2.gz HETRJHQFQSAYFR-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001699853185 1176657219 /nfs/dbraw/zinc/65/72/19/1176657219.db2.gz HYKDTRYICTYPRN-RDJZCZTQSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001700155821 1176775932 /nfs/dbraw/zinc/77/59/32/1176775932.db2.gz OVRFVFOXIJMKNY-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001700468220 1176956225 /nfs/dbraw/zinc/95/62/25/1176956225.db2.gz XSINPOUMZYPOQY-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001700520864 1176992764 /nfs/dbraw/zinc/99/27/64/1176992764.db2.gz RADHVOVAULHNID-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001700641049 1177050450 /nfs/dbraw/zinc/05/04/50/1177050450.db2.gz KQOCBJVEWXWMDH-WKILWMFISA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001700905002 1177189887 /nfs/dbraw/zinc/18/98/87/1177189887.db2.gz CLHYTKOJQHFBAE-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001707067096 1177938707 /nfs/dbraw/zinc/93/87/07/1177938707.db2.gz ZUXIZIYEJJIPOE-XHSDSOJGSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001707276697 1177988274 /nfs/dbraw/zinc/98/82/74/1177988274.db2.gz RJSMLXISCVRYKI-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001707450783 1178052542 /nfs/dbraw/zinc/05/25/42/1178052542.db2.gz HIUQGOZJFDPWOO-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001713199686 1178426084 /nfs/dbraw/zinc/42/60/84/1178426084.db2.gz LKZBFLXVVMTBKS-OAGGEKHMSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001713343812 1178511228 /nfs/dbraw/zinc/51/12/28/1178511228.db2.gz BMGFJXHYDZICOP-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713378741 1178529629 /nfs/dbraw/zinc/52/96/29/1178529629.db2.gz IZFVMMMCAQARTG-UONOGXRCSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001713758997 1178742380 /nfs/dbraw/zinc/74/23/80/1178742380.db2.gz ITZDVNBTNFHHJH-GJZGRUSLSA-N 2 0 279.428 1.295 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001714140362 1178988669 /nfs/dbraw/zinc/98/86/69/1178988669.db2.gz HLHAEYIGURVIGC-UHFFFAOYSA-N 2 0 267.417 1.533 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001714142669 1178989903 /nfs/dbraw/zinc/98/99/03/1178989903.db2.gz XYOBMRAANQVEAN-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714391993 1179120770 /nfs/dbraw/zinc/12/07/70/1179120770.db2.gz YPIALRVMSSHMFZ-HOCLYGCPSA-N 2 0 293.455 1.636 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001714880151 1179434941 /nfs/dbraw/zinc/43/49/41/1179434941.db2.gz YHJVQHHSAOKCKK-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001714905912 1179446896 /nfs/dbraw/zinc/44/68/96/1179446896.db2.gz BCFBYRDZARICRJ-GJZGRUSLSA-N 2 0 279.428 1.295 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714931502 1179460403 /nfs/dbraw/zinc/46/04/03/1179460403.db2.gz ARYGNAQLFQTGMG-CVEARBPZSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715040477 1179522089 /nfs/dbraw/zinc/52/20/89/1179522089.db2.gz QCCVYHVCJJRUPW-MRXNPFEDSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001715179999 1179571389 /nfs/dbraw/zinc/57/13/89/1179571389.db2.gz SWUVRLKZMUBXAY-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715317612 1179621078 /nfs/dbraw/zinc/62/10/78/1179621078.db2.gz UXHCEGJPUPUOQQ-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001715476865 1179677180 /nfs/dbraw/zinc/67/71/80/1179677180.db2.gz PRQDQLFYMYEXPN-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001715916318 1179911578 /nfs/dbraw/zinc/91/15/78/1179911578.db2.gz WHJPQMMUDLLXRK-LZNQSLFOSA-N 2 0 277.412 1.146 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716350241 1180163942 /nfs/dbraw/zinc/16/39/42/1180163942.db2.gz DDKUZZBHCRKLOM-XHPSBEMXSA-N 2 0 279.428 1.699 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001716695588 1180374259 /nfs/dbraw/zinc/37/42/59/1180374259.db2.gz HUNWKWQPDIGDEB-HNNXBMFYSA-N 2 0 291.439 1.511 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001716884544 1180453635 /nfs/dbraw/zinc/45/36/35/1180453635.db2.gz XZXJPTBMLGQJRI-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001717454368 1180677894 /nfs/dbraw/zinc/67/78/94/1180677894.db2.gz YTIPQKMWILHDGB-UHFFFAOYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001717854904 1180895607 /nfs/dbraw/zinc/89/56/07/1180895607.db2.gz ZWUAWYDIHDGPKX-KGLIPLIRSA-N 2 0 279.428 1.626 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001723310326 1181536088 /nfs/dbraw/zinc/53/60/88/1181536088.db2.gz CJKSTUNAJAEDCU-LSDHHAIUSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1CC ZINC001723384343 1181546220 /nfs/dbraw/zinc/54/62/20/1181546220.db2.gz ICWRCNOISDWKLJ-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001723748936 1181600455 /nfs/dbraw/zinc/60/04/55/1181600455.db2.gz WHDQUCJJBPNJSY-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001724758578 1181739809 /nfs/dbraw/zinc/73/98/09/1181739809.db2.gz FYHYPBOAWZVOBW-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001725127980 1181876520 /nfs/dbraw/zinc/87/65/20/1181876520.db2.gz LADSYIPSNTZFRD-UONOGXRCSA-N 2 0 287.407 1.478 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001725369033 1181977841 /nfs/dbraw/zinc/97/78/41/1181977841.db2.gz MSAPOBISLXKMOC-HDJSIYSDSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH+](CC)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001731308690 1182310473 /nfs/dbraw/zinc/31/04/73/1182310473.db2.gz DTTYXALBFBLCOO-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001731640135 1182496182 /nfs/dbraw/zinc/49/61/82/1182496182.db2.gz LJPDRGUAEJCDDH-UONOGXRCSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001732049355 1182741532 /nfs/dbraw/zinc/74/15/32/1182741532.db2.gz QIXMULFILUVUBJ-GJZGRUSLSA-N 2 0 297.418 1.128 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732221946 1182866332 /nfs/dbraw/zinc/86/63/32/1182866332.db2.gz ILLGOZKQRJXJNB-JKSUJKDBSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001732533461 1182999177 /nfs/dbraw/zinc/99/91/77/1182999177.db2.gz SDKCESBQSSZXAY-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001732908305 1183179425 /nfs/dbraw/zinc/17/94/25/1183179425.db2.gz CRNZFDYAEGKXFI-SWJNODNISA-N 2 0 289.423 1.289 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001733012795 1183237603 /nfs/dbraw/zinc/23/76/03/1183237603.db2.gz FEKFLLXVXWPJRS-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001733605115 1183478317 /nfs/dbraw/zinc/47/83/17/1183478317.db2.gz FLWNCWXILUPPSO-JKSUJKDBSA-N 2 0 293.455 1.826 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001733669497 1183493132 /nfs/dbraw/zinc/49/31/32/1183493132.db2.gz BTEXTDKQWBRCSE-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001734039293 1183629989 /nfs/dbraw/zinc/62/99/89/1183629989.db2.gz KAYXXOBCKQDSSV-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001734045382 1183632723 /nfs/dbraw/zinc/63/27/23/1183632723.db2.gz SKVVYEJVOOXTRF-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001734350246 1183743032 /nfs/dbraw/zinc/74/30/32/1183743032.db2.gz GDXWNPQLJYKDRK-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001734398559 1183762778 /nfs/dbraw/zinc/76/27/78/1183762778.db2.gz IBSZFSNCMXMKFE-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001734559810 1183826681 /nfs/dbraw/zinc/82/66/81/1183826681.db2.gz AMOTZHVAQSHASX-AWEZNQCLSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000829775231 723751469 /nfs/dbraw/zinc/75/14/69/723751469.db2.gz ZQBAOSFMBROWCY-CABCVRRESA-N 2 0 250.386 1.178 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000876970339 723987671 /nfs/dbraw/zinc/98/76/71/723987671.db2.gz PCCUTCMTSXYVKC-CHWSQXEVSA-N 2 0 287.835 1.693 10 30 CDEERP C=CC[C@@]1(C(=O)N2C3CCC2(C[NH3+])CC3)CCC[NH2+]1 ZINC000877184502 724257273 /nfs/dbraw/zinc/25/72/73/724257273.db2.gz PEUFTACKYWPGIO-ZALBZXLWSA-N 2 0 263.385 1.167 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000876540079 724617507 /nfs/dbraw/zinc/61/75/07/724617507.db2.gz FFCYGYMJQRQSSD-LBPRGKRZSA-N 2 0 273.808 1.304 10 30 CDEERP C#CC[C@@H](COC)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000716912262 724698523 /nfs/dbraw/zinc/69/85/23/724698523.db2.gz CYCYHSNJEJIIRB-HNNXBMFYSA-N 2 0 273.380 1.678 10 30 CDEERP CC[NH+](CC)CCCNC(=[NH2+])NCCc1cccs1 ZINC000303717909 723991373 /nfs/dbraw/zinc/99/13/73/723991373.db2.gz UMVYXSZTTSIDNJ-UHFFFAOYSA-N 2 0 282.457 1.927 10 30 CDEERP C#CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856592206 725362402 /nfs/dbraw/zinc/36/24/02/725362402.db2.gz GIXYTNAGLQACEH-MRXNPFEDSA-N 2 0 273.380 1.620 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000876867043 725945688 /nfs/dbraw/zinc/94/56/88/725945688.db2.gz PCXNKXRWLWXZEI-LBPRGKRZSA-N 2 0 265.744 1.698 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001566793511 1168425198 /nfs/dbraw/zinc/42/51/98/1168425198.db2.gz SKRYIJCAAWLGNG-HDJSIYSDSA-N 2 0 279.428 1.674 10 30 CDEERP C#CC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001566878170 1168452383 /nfs/dbraw/zinc/45/23/83/1168452383.db2.gz NDJNCELXJUGNMM-OAHLLOKOSA-N 2 0 293.455 1.426 10 30 CDEERP C#CC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001566878169 1168454160 /nfs/dbraw/zinc/45/41/60/1168454160.db2.gz NDJNCELXJUGNMM-HNNXBMFYSA-N 2 0 293.455 1.426 10 30 CDEERP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001566925763 1168471517 /nfs/dbraw/zinc/47/15/17/1168471517.db2.gz OYYBDLZWFVLUCH-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001272300253 912728921 /nfs/dbraw/zinc/72/89/21/912728921.db2.gz FLSXCMBAPZLQGE-JKSUJKDBSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001567324677 1168680424 /nfs/dbraw/zinc/68/04/24/1168680424.db2.gz YAKXTHYCXWMNHR-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@H+](C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001266347605 894485909 /nfs/dbraw/zinc/48/59/09/894485909.db2.gz OEGWIDKWNAZYBV-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001266348293 894488164 /nfs/dbraw/zinc/48/81/64/894488164.db2.gz YVUVCFLYLQZXOW-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266467786 894994334 /nfs/dbraw/zinc/99/43/34/894994334.db2.gz DAWKZHMGQGNCTM-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267185276 897057278 /nfs/dbraw/zinc/05/72/78/897057278.db2.gz LWRMZXZFVZBCEP-SQWLQELKSA-N 2 0 293.455 1.729 10 30 CDEERP C=C(C)C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001267513997 898195089 /nfs/dbraw/zinc/19/50/89/898195089.db2.gz HZKHPJDQPWLMFO-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001267558298 898355595 /nfs/dbraw/zinc/35/55/95/898355595.db2.gz WDCSZYVKCWOSLW-CVEARBPZSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001481044543 898673355 /nfs/dbraw/zinc/67/33/55/898673355.db2.gz QZRYINVTYRRLGX-OAHLLOKOSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001481045170 898676317 /nfs/dbraw/zinc/67/63/17/898676317.db2.gz HWOGVJHGWMLTTB-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001267619279 899028716 /nfs/dbraw/zinc/02/87/16/899028716.db2.gz FQLHCXVJUSULRS-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267687536 899281557 /nfs/dbraw/zinc/28/15/57/899281557.db2.gz HGYWYLLQWLYMOX-DZGCQCFKSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001268011132 900279996 /nfs/dbraw/zinc/27/99/96/900279996.db2.gz RZXVQQRWHLMKDI-AWEZNQCLSA-N 2 0 279.428 1.390 10 30 CDEERP C#CC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001567748633 1168948672 /nfs/dbraw/zinc/94/86/72/1168948672.db2.gz NBOPWKWLMRKFRR-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001268175104 901528488 /nfs/dbraw/zinc/52/84/88/901528488.db2.gz DITRYHQGJQWQKI-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001567749901 1168952213 /nfs/dbraw/zinc/95/22/13/1168952213.db2.gz UFJIQGHUAUMYAD-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268473055 902264948 /nfs/dbraw/zinc/26/49/48/902264948.db2.gz ASGUGYHATYNOFQ-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001268673619 902935267 /nfs/dbraw/zinc/93/52/67/902935267.db2.gz IOHBTMODKWURHV-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)CN1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001269350476 903725359 /nfs/dbraw/zinc/72/53/59/903725359.db2.gz IZEVQJXSKZJQSR-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCN1CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001269356339 903729255 /nfs/dbraw/zinc/72/92/55/903729255.db2.gz QBDPHKUSFFBRCQ-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001269607153 903976004 /nfs/dbraw/zinc/97/60/04/903976004.db2.gz WBYLUQHCQWGBKD-DOTOQJQBSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001269876227 904173937 /nfs/dbraw/zinc/17/39/37/904173937.db2.gz QEPPKYCVNCSHHC-AWEZNQCLSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001270293552 904510488 /nfs/dbraw/zinc/51/04/88/904510488.db2.gz VZDHFPUSQCWLHG-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001271425633 906331919 /nfs/dbraw/zinc/33/19/19/906331919.db2.gz ISBLZMCTZHKYIY-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001271610578 906543983 /nfs/dbraw/zinc/54/39/83/906543983.db2.gz XFRAIXCROCARSJ-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001482678862 908247246 /nfs/dbraw/zinc/24/72/46/908247246.db2.gz MOVMZJGKOFLRHE-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH+]1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CCC)C1 ZINC001567944369 1169085126 /nfs/dbraw/zinc/08/51/26/1169085126.db2.gz SDZXFVJCMFVUFY-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)CCCn1ccnc1C ZINC001272131971 908610141 /nfs/dbraw/zinc/61/01/41/908610141.db2.gz TUDNEEQDEJYATA-UHFFFAOYSA-N 2 0 292.427 1.938 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001483790357 915068996 /nfs/dbraw/zinc/06/89/96/915068996.db2.gz GEECHSFUTTYXCX-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001484096194 915430286 /nfs/dbraw/zinc/43/02/86/915430286.db2.gz JPKUGCCAFABRRA-INIZCTEOSA-N 2 0 288.395 1.194 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001484123056 915445672 /nfs/dbraw/zinc/44/56/72/915445672.db2.gz XLCZMWASFUKLCQ-NVXWUHKLSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[N@@H+](C)CCCN(C)C(=O)Cn1ccnc1C ZINC001273591427 921788713 /nfs/dbraw/zinc/78/87/13/921788713.db2.gz QYSORCVQYAXSCO-UHFFFAOYSA-N 2 0 278.400 1.548 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001484649911 915994590 /nfs/dbraw/zinc/99/45/90/915994590.db2.gz SHCANDIWDYXFGT-UHFFFAOYSA-N 2 0 273.808 1.319 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001484891478 916238730 /nfs/dbraw/zinc/23/87/30/916238730.db2.gz HIPUOPXUTKMKIO-GJZGRUSLSA-N 2 0 289.423 1.075 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001484923133 916279708 /nfs/dbraw/zinc/27/97/08/916279708.db2.gz FLSOZGICYQVXEX-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001485076076 916473309 /nfs/dbraw/zinc/47/33/09/916473309.db2.gz KNJAOQFHVUKOOG-OAHLLOKOSA-N 2 0 279.428 1.581 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001485110579 916535076 /nfs/dbraw/zinc/53/50/76/916535076.db2.gz OAAYQSTZPKZQRZ-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001486219048 920830460 /nfs/dbraw/zinc/83/04/60/920830460.db2.gz QMNIBDFMQPWZOD-UONOGXRCSA-N 2 0 290.411 1.711 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001486248041 920839796 /nfs/dbraw/zinc/83/97/96/920839796.db2.gz RDXVMSWJFWQTAF-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001486520981 921093334 /nfs/dbraw/zinc/09/33/34/921093334.db2.gz LZGWSDKFHCPOAM-UHFFFAOYSA-N 2 0 277.412 1.407 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001491457187 936919949 /nfs/dbraw/zinc/91/99/49/936919949.db2.gz OBLZJWKPRKKCFI-HIFRSBDPSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001488664709 926642640 /nfs/dbraw/zinc/64/26/40/926642640.db2.gz VGIZJGQATYNRSB-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001488744537 926695165 /nfs/dbraw/zinc/69/51/65/926695165.db2.gz VHBSTIVUPLJNDZ-ZNMIVQPWSA-N 2 0 279.428 1.080 10 30 CDEERP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001490216305 927025648 /nfs/dbraw/zinc/02/56/48/927025648.db2.gz MIPZXUZMKSQOJN-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001490256079 927061305 /nfs/dbraw/zinc/06/13/05/927061305.db2.gz LAHQYBKRLVGZIT-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001490668426 927275616 /nfs/dbraw/zinc/27/56/16/927275616.db2.gz ORFVQZHYPKUNQM-AWEZNQCLSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001490699054 927306331 /nfs/dbraw/zinc/30/63/31/927306331.db2.gz BSRBYYWHEXIXBK-OAHLLOKOSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001490699053 927306754 /nfs/dbraw/zinc/30/67/54/927306754.db2.gz BSRBYYWHEXIXBK-HNNXBMFYSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001568495934 1169330924 /nfs/dbraw/zinc/33/09/24/1169330924.db2.gz BHRYQSQMVGZGNE-CHWSQXEVSA-N 2 0 276.384 1.100 10 30 CDEERP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001493108370 930438327 /nfs/dbraw/zinc/43/83/27/930438327.db2.gz PZQRQZDPCIUDGW-LSDHHAIUSA-N 2 0 297.418 1.270 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275405522 931775495 /nfs/dbraw/zinc/77/54/95/931775495.db2.gz VMFYGSVHZOHXID-KGLIPLIRSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CCCC[NH+]1C ZINC001568551627 1169363907 /nfs/dbraw/zinc/36/39/07/1169363907.db2.gz MMNUVKGKQBCCLZ-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001276052483 932477501 /nfs/dbraw/zinc/47/75/01/932477501.db2.gz JCRZZUGSXGVDRM-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001490857687 934570922 /nfs/dbraw/zinc/57/09/22/934570922.db2.gz UUIGPLYQRDWOCR-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NC(C)(C)C[N@@H+](C)CCC ZINC001122160418 937909426 /nfs/dbraw/zinc/90/94/26/937909426.db2.gz OFZQXSAFUQLWMJ-CYBMUJFWSA-N 2 0 269.433 1.907 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001276604494 940413763 /nfs/dbraw/zinc/41/37/63/940413763.db2.gz WRPYKYUIEJXOTE-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001276649289 940599332 /nfs/dbraw/zinc/59/93/32/940599332.db2.gz YLQIHAVQGJDJFZ-HNNXBMFYSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001277149103 942053514 /nfs/dbraw/zinc/05/35/14/942053514.db2.gz ZGCAAKXITDLKKK-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001277195014 942162366 /nfs/dbraw/zinc/16/23/66/942162366.db2.gz JXGHCJUDRYMQKM-CABCVRRESA-N 2 0 289.423 1.265 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317160859 942400137 /nfs/dbraw/zinc/40/01/37/942400137.db2.gz CDXITKRFCFFAOV-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001280884271 942502665 /nfs/dbraw/zinc/50/26/65/942502665.db2.gz XXLSAETUADACHF-GJZGRUSLSA-N 2 0 279.428 1.273 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001281017837 942527087 /nfs/dbraw/zinc/52/70/87/942527087.db2.gz UQFFZCUNHBMKGV-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001281956966 942637724 /nfs/dbraw/zinc/63/77/24/942637724.db2.gz NRDZHRDMMREPNQ-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001282399077 942706936 /nfs/dbraw/zinc/70/69/36/942706936.db2.gz QSPIDCYMGGMAHC-GOEBONIOSA-N 2 0 291.439 1.463 10 30 CDEERP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001282677537 942737562 /nfs/dbraw/zinc/73/75/62/942737562.db2.gz BILPKTAEQMYLMH-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001282928934 942781156 /nfs/dbraw/zinc/78/11/56/942781156.db2.gz MVKYRZNIDDODBW-LSDHHAIUSA-N 2 0 297.443 1.108 10 30 CDEERP C=CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001282977367 942795918 /nfs/dbraw/zinc/79/59/18/942795918.db2.gz IBFDSVISXSARRA-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001283938411 943032822 /nfs/dbraw/zinc/03/28/22/943032822.db2.gz IEJQKCFPIKIJGY-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284018312 943051458 /nfs/dbraw/zinc/05/14/58/943051458.db2.gz SPKSBHASTLTIRZ-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)CCC)CC1 ZINC001265200783 944266898 /nfs/dbraw/zinc/26/68/98/944266898.db2.gz YGHPJQMMHGBWSS-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001265708311 944476361 /nfs/dbraw/zinc/47/63/61/944476361.db2.gz MKXKGUPVTFMWOE-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001265832976 944532280 /nfs/dbraw/zinc/53/22/80/944532280.db2.gz UODQMCFKNPEUGQ-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001265910597 944569651 /nfs/dbraw/zinc/56/96/51/944569651.db2.gz GSQYTUDKPAWGBP-KBPBESRZSA-N 2 0 285.407 1.433 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001266053993 944656706 /nfs/dbraw/zinc/65/67/06/944656706.db2.gz DSJXMYBZYIWNRJ-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001278072822 944705762 /nfs/dbraw/zinc/70/57/62/944705762.db2.gz ZRJPUDADGCIGBS-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CCC)CC1 ZINC001278177565 945031585 /nfs/dbraw/zinc/03/15/85/945031585.db2.gz TWRNQRCTGBZVDM-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001479252394 971276006 /nfs/dbraw/zinc/27/60/06/971276006.db2.gz LXHFXLFATVFVLH-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001479831258 971439499 /nfs/dbraw/zinc/43/94/99/971439499.db2.gz DKWBQORDFKYYQG-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001479954838 971508566 /nfs/dbraw/zinc/50/85/66/971508566.db2.gz CWQHHUWFQKONFH-ZDUSSCGKSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001480463268 971741397 /nfs/dbraw/zinc/74/13/97/971741397.db2.gz BUPRXVVJKRSFPA-QLFBSQMISA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001493109752 971951943 /nfs/dbraw/zinc/95/19/43/971951943.db2.gz HSUCWXYBBTZHRC-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001326760386 954531625 /nfs/dbraw/zinc/53/16/25/954531625.db2.gz ANKXHQIRCGCYIH-ZIAGYGMSSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCC1 ZINC001326929364 954625026 /nfs/dbraw/zinc/62/50/26/954625026.db2.gz WHLSIMLAHJHAGK-UHFFFAOYSA-N 2 0 291.439 1.514 10 30 CDEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001328016921 955160299 /nfs/dbraw/zinc/16/02/99/955160299.db2.gz FPUBMVJHCLIXES-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001421822734 955545201 /nfs/dbraw/zinc/54/52/01/955545201.db2.gz IJGVBMBCUYQGDM-ZDUSSCGKSA-N 2 0 287.835 1.661 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001328927638 955559941 /nfs/dbraw/zinc/55/99/41/955559941.db2.gz QVPMEJHWWDOKNN-UHFFFAOYSA-N 2 0 299.418 1.479 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001329044484 955645842 /nfs/dbraw/zinc/64/58/42/955645842.db2.gz FNTSRLDMVFAXEC-NEPJUHHUSA-N 2 0 293.436 1.539 10 30 CDEERP C#CCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001492303815 955787127 /nfs/dbraw/zinc/78/71/27/955787127.db2.gz PPWSMJXWPVJILA-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C[C@@H](C#N)OCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001422442977 956005761 /nfs/dbraw/zinc/00/57/61/956005761.db2.gz RTOWHPHMWTZPIE-HNNXBMFYSA-N 2 0 295.427 1.228 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001317348821 956209491 /nfs/dbraw/zinc/20/94/91/956209491.db2.gz CPPQGRINRCSJGK-LSDHHAIUSA-N 2 0 291.439 1.511 10 30 CDEERP C#CC[N@H+]1CCC[C@H]1CNC(=O)CN(C)Cc1ccccc1 ZINC001317513186 956769594 /nfs/dbraw/zinc/76/95/94/956769594.db2.gz IJNCQQKBSTWPSI-KRWDZBQOSA-N 2 0 299.418 1.332 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC001328279808 956843977 /nfs/dbraw/zinc/84/39/77/956843977.db2.gz PXACPVSBGQPCQT-LSDHHAIUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001331293163 956950335 /nfs/dbraw/zinc/95/03/35/956950335.db2.gz AQAUNMLMFREAOL-HUUCEWRRSA-N 2 0 279.428 1.483 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001316874739 957085438 /nfs/dbraw/zinc/08/54/38/957085438.db2.gz CNRGKEDMRSNOLO-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317084780 957259068 /nfs/dbraw/zinc/25/90/68/957259068.db2.gz XSKXRZMKFYOIQQ-HDJSIYSDSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001331944611 957354586 /nfs/dbraw/zinc/35/45/86/957354586.db2.gz SAOCXEURFJGODF-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001317286128 957405018 /nfs/dbraw/zinc/40/50/18/957405018.db2.gz FANKKGYNUZZRDA-CQSZACIVSA-N 2 0 267.417 1.533 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001317336415 957427784 /nfs/dbraw/zinc/42/77/84/957427784.db2.gz IIGXYULTRRHUGQ-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CCC)CC1 ZINC001317416310 957461627 /nfs/dbraw/zinc/46/16/27/957461627.db2.gz UCPIRWMPVBRFPK-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001317524740 957528713 /nfs/dbraw/zinc/52/87/13/957528713.db2.gz BMHYJTPRFUMMAK-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001317524738 957529662 /nfs/dbraw/zinc/52/96/62/957529662.db2.gz BMHYJTPRFUMMAK-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001317877331 957706585 /nfs/dbraw/zinc/70/65/85/957706585.db2.gz WWYIDRHQYXFWFN-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH+]1CCC(C2(NC(=O)C[N@@H+](C)CCC)CC2)CC1 ZINC001333181366 958133227 /nfs/dbraw/zinc/13/32/27/958133227.db2.gz YPTFUPYUOQPXNK-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367707983 958236698 /nfs/dbraw/zinc/23/66/98/958236698.db2.gz VLYMFLMWMRVIPB-NEPJUHHUSA-N 2 0 273.808 1.175 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494917471 972336952 /nfs/dbraw/zinc/33/69/52/972336952.db2.gz MBAIWIODLHCOKI-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCC1 ZINC001319362087 958516415 /nfs/dbraw/zinc/51/64/15/958516415.db2.gz PSCYLWLFHLXSGM-UHFFFAOYSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001320147118 958969097 /nfs/dbraw/zinc/96/90/97/958969097.db2.gz NSJRJLVEDRYWRJ-DZGCQCFKSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001368670435 959026910 /nfs/dbraw/zinc/02/69/10/959026910.db2.gz SXCHOOWWCPFTKL-AAEUAGOBSA-N 2 0 287.835 1.516 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001321334523 959726875 /nfs/dbraw/zinc/72/68/75/959726875.db2.gz AWJBHBONZQWOEI-JTUDCUDASA-N 2 0 291.439 1.392 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001322287355 960169349 /nfs/dbraw/zinc/16/93/49/960169349.db2.gz YVCBRYSUULLMGW-RDJZCZTQSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001322306143 960176627 /nfs/dbraw/zinc/17/66/27/960176627.db2.gz IHXVMIIFWVCKLY-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001495430317 972498431 /nfs/dbraw/zinc/49/84/31/972498431.db2.gz JTNOMOXBNIKMEV-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001324082151 961158015 /nfs/dbraw/zinc/15/80/15/961158015.db2.gz REGQCOKQNLAKQZ-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001438427894 963445306 /nfs/dbraw/zinc/44/53/06/963445306.db2.gz DULJPOQPUWIJKS-WFASDCNBSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439782211 963858217 /nfs/dbraw/zinc/85/82/17/963858217.db2.gz CTUGBQPFMUQZSK-STQMWFEESA-N 2 0 285.819 1.271 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001480474117 967951193 /nfs/dbraw/zinc/95/11/93/967951193.db2.gz HNCGNEYBLCBPBY-LBPRGKRZSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001495939936 972711079 /nfs/dbraw/zinc/71/10/79/972711079.db2.gz SEEQYEXMFGQGHU-UHFFFAOYSA-N 2 0 267.417 1.533 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001496057236 972780100 /nfs/dbraw/zinc/78/01/00/972780100.db2.gz XGSBYFGBHCQZKJ-UONOGXRCSA-N 2 0 267.417 1.482 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001496158801 972822311 /nfs/dbraw/zinc/82/23/11/972822311.db2.gz TYVZZUIVPFMMRY-KGLIPLIRSA-N 2 0 267.417 1.177 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001496358662 972898065 /nfs/dbraw/zinc/89/80/65/972898065.db2.gz CKLBJPMIKJGNIO-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001497863869 973553180 /nfs/dbraw/zinc/55/31/80/973553180.db2.gz CLYQHGBVMIGQMB-CQSZACIVSA-N 2 0 289.423 1.685 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001498325495 973827766 /nfs/dbraw/zinc/82/77/66/973827766.db2.gz PZCUYGUNNYTVEZ-LBPRGKRZSA-N 2 0 286.379 1.879 10 30 CDEERP C=CCCC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001498860522 974084855 /nfs/dbraw/zinc/08/48/55/974084855.db2.gz RTESLJVFGDZYLN-OAHLLOKOSA-N 2 0 291.439 1.533 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001499458819 974256911 /nfs/dbraw/zinc/25/69/11/974256911.db2.gz PGJBDRXHAHOMMW-UHFFFAOYSA-N 2 0 279.428 1.677 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001499611369 974274395 /nfs/dbraw/zinc/27/43/95/974274395.db2.gz YFFROSPZSSDMTE-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C2 ZINC001501170599 974545037 /nfs/dbraw/zinc/54/50/37/974545037.db2.gz ZXMZZAABHDDJCZ-MUJYYYPQSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001501610886 974605779 /nfs/dbraw/zinc/60/57/79/974605779.db2.gz FRWSCYZBBRPNKS-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001502810016 974788038 /nfs/dbraw/zinc/78/80/38/974788038.db2.gz SPTIXTRXSXAJDJ-HUUCEWRRSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001503015772 974809850 /nfs/dbraw/zinc/80/98/50/974809850.db2.gz WQVJKYLCCYTMLV-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001505410600 974863997 /nfs/dbraw/zinc/86/39/97/974863997.db2.gz FOEWNSDCYJAIPS-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001505529818 974901093 /nfs/dbraw/zinc/90/10/93/974901093.db2.gz OYSVCNMQHYMKIX-UHFFFAOYSA-N 2 0 277.412 1.143 10 30 CDEERP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001506550948 975177695 /nfs/dbraw/zinc/17/76/95/975177695.db2.gz APKIJKRFQYBGKJ-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001506650703 975196357 /nfs/dbraw/zinc/19/63/57/975196357.db2.gz AAZIRHRZAOGJND-ZBFHGGJFSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001507322361 975416198 /nfs/dbraw/zinc/41/61/98/975416198.db2.gz SHXRMGYUJWMFBP-UONOGXRCSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001378619628 975419115 /nfs/dbraw/zinc/41/91/15/975419115.db2.gz ANVVIYJPCPLKIP-DOMZBBRYSA-N 2 0 299.846 1.567 10 30 CDEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)CCCC[NH+](C)C)CC1 ZINC001508066640 975599416 /nfs/dbraw/zinc/59/94/16/975599416.db2.gz SHRTZSCBKGRUTG-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001382300462 977240932 /nfs/dbraw/zinc/24/09/32/977240932.db2.gz BTUVGUKGXMPLMM-CHWSQXEVSA-N 2 0 287.835 1.658 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001674496342 1173954411 /nfs/dbraw/zinc/95/44/11/1173954411.db2.gz WTSLMGAISQNDEY-GJZGRUSLSA-N 2 0 279.428 1.129 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001675349524 1174105357 /nfs/dbraw/zinc/10/53/57/1174105357.db2.gz UUURSMLZRBAKOO-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001675522243 1174124229 /nfs/dbraw/zinc/12/42/29/1174124229.db2.gz KQTYOLWXWLUYFQ-APIJFGDWSA-N 2 0 297.418 1.146 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001676222426 1174194124 /nfs/dbraw/zinc/19/41/24/1174194124.db2.gz QSWQSXHIBFZGOO-OAHLLOKOSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001570530696 1170182276 /nfs/dbraw/zinc/18/22/76/1170182276.db2.gz PDFUGBIMQARPIX-RBSFLKMASA-N 2 0 279.428 1.435 10 30 CDEERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)[C@H]2CCC[C@@H]21 ZINC000586789963 342469122 /nfs/dbraw/zinc/46/91/22/342469122.db2.gz VBQGLNXOPZSLQC-PMPSAXMXSA-N 2 0 276.428 1.437 10 30 CDEERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C#N)cc1F ZINC000591570729 342637132 /nfs/dbraw/zinc/63/71/32/342637132.db2.gz HLCAEHVUONQFDS-CYBMUJFWSA-N 2 0 265.332 1.541 10 30 CDEERP CCC([NH3+])(CC)CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594428127 342897445 /nfs/dbraw/zinc/89/74/45/342897445.db2.gz ZOTZENZUAUAEJU-LLVKDONJSA-N 2 0 254.378 1.031 10 30 CDEERP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600729789 342245597 /nfs/dbraw/zinc/24/55/97/342245597.db2.gz HXZRZLCTQPMNQH-GJZGRUSLSA-N 2 0 279.428 1.609 10 30 CDEERP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594424670 342903955 /nfs/dbraw/zinc/90/39/55/342903955.db2.gz HXBPEZQRTQSDAJ-JSGCOSHPSA-N 2 0 268.405 1.277 10 30 CDEERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(C#N)c(F)c1 ZINC000600711584 349877077 /nfs/dbraw/zinc/87/70/77/349877077.db2.gz SIPGTXQIRKDITG-LLVKDONJSA-N 2 0 265.332 1.713 10 30 CDEERP CC(C)(C#N)C[C@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000598723330 343884901 /nfs/dbraw/zinc/88/49/01/343884901.db2.gz GQKQPUJEHADVTE-NRXISQOPSA-N 2 0 279.428 1.894 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001660631431 1172244930 /nfs/dbraw/zinc/24/49/30/1172244930.db2.gz GOURUBKDVFKNFQ-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)C(C)C ZINC000638068065 367969014 /nfs/dbraw/zinc/96/90/14/367969014.db2.gz GISVPSZMGYVICB-CVEARBPZSA-N 2 0 291.439 1.849 10 30 CDEERP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001661280111 1172362521 /nfs/dbraw/zinc/36/25/21/1172362521.db2.gz NDVOBMGUEXQRDK-GASCZTMLSA-N 2 0 279.428 1.578 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001661437019 1172390970 /nfs/dbraw/zinc/39/09/70/1172390970.db2.gz WUAYIOUKPGBKKV-YHUYYLMFSA-N 2 0 291.439 1.816 10 30 CDEERP COC[C@@H](CCC[NH3+])[NH2+]CCOc1ccc(C#N)cc1 ZINC000422990669 374366339 /nfs/dbraw/zinc/36/63/39/374366339.db2.gz OFZIZQDOMNXWBM-CQSZACIVSA-N 2 0 277.368 1.281 10 30 CDEERP N#CCc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000574692178 335040192 /nfs/dbraw/zinc/04/01/92/335040192.db2.gz STFSXNKOZVNBNV-RCCFBDPRSA-N 2 0 299.418 1.999 10 30 CDEERP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001662839178 1172603338 /nfs/dbraw/zinc/60/33/38/1172603338.db2.gz ORKBTGVXFTWCLI-BZUAXINKSA-N 2 0 291.439 1.273 10 30 CDEERP C=CCCn1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)nn1 ZINC000655941645 412953909 /nfs/dbraw/zinc/95/39/09/412953909.db2.gz YGGMMELWZAOGSX-UHFFFAOYSA-N 2 0 275.400 1.430 10 30 CDEERP C=CCCn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nn1 ZINC000655941415 412954354 /nfs/dbraw/zinc/95/43/54/412954354.db2.gz TUDGKKAWFJIBRI-CABCVRRESA-N 2 0 289.427 1.676 10 30 CDEERP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001662919551 1172614832 /nfs/dbraw/zinc/61/48/32/1172614832.db2.gz XAQWYLXIPUFQLV-GDBMZVCRSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001662918500 1172615352 /nfs/dbraw/zinc/61/53/52/1172615352.db2.gz DLBRLAZBKBPOIF-UKRRQHHQSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CC(C)C)CC1 ZINC001663013885 1172629000 /nfs/dbraw/zinc/62/90/00/1172629000.db2.gz HGKIOXOROAOJKR-OAHLLOKOSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCC[NH2+]1 ZINC000662778054 413482303 /nfs/dbraw/zinc/48/23/03/413482303.db2.gz CIXARAVSQRVUHG-DZKIICNBSA-N 2 0 279.428 1.566 10 30 CDEERP C=CC[C@@]1(C(=O)NCC2CC[NH+](C3CC3)CC2)CCC[NH2+]1 ZINC000662810019 413528427 /nfs/dbraw/zinc/52/84/27/413528427.db2.gz LWYXLURKMDDXOT-KRWDZBQOSA-N 2 0 291.439 1.675 10 30 CDEERP [NH3+]CC#Cc1csc(C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000043689007 175095849 /nfs/dbraw/zinc/09/58/49/175095849.db2.gz CVCVSGBMUCGMLO-CYBMUJFWSA-N 2 0 264.394 1.405 10 30 CDEERP C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000044518011 175191234 /nfs/dbraw/zinc/19/12/34/175191234.db2.gz FGKYTGLWPPXGDD-MRXNPFEDSA-N 2 0 273.380 1.523 10 30 CDEERP CC[C@H](C)[NH+]1CCN(Cc2ccccc2C#CC[NH3+])CC1 ZINC000055069304 175568337 /nfs/dbraw/zinc/56/83/37/175568337.db2.gz ORBKKCFTDJPXKY-INIZCTEOSA-N 2 0 285.435 1.913 10 30 CDEERP CN(Cc1ccc(C#CC[NH3+])s1)C[C@H]1CC[N@H+](C)C1 ZINC000071190469 176067128 /nfs/dbraw/zinc/06/71/28/176067128.db2.gz FWHLWTFPCCLAGU-ZDUSSCGKSA-N 2 0 277.437 1.442 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001667203897 1173244873 /nfs/dbraw/zinc/24/48/73/1173244873.db2.gz MQPQIMPCAABEHO-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001667508244 1173278985 /nfs/dbraw/zinc/27/89/85/1173278985.db2.gz HKCSGFBXOZDYNL-LSDHHAIUSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001667663865 1173308179 /nfs/dbraw/zinc/30/81/79/1173308179.db2.gz CWXGIKXJHXODDS-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001669380201 1173542943 /nfs/dbraw/zinc/54/29/43/1173542943.db2.gz BSNLVOKODMEJBV-ILXRZTDVSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001672209491 1173752798 /nfs/dbraw/zinc/75/27/98/1173752798.db2.gz OZHBTBJZVPFARO-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001672319907 1173764776 /nfs/dbraw/zinc/76/47/76/1173764776.db2.gz BKXVMXGPQMXKKW-KGLIPLIRSA-N 2 0 267.417 1.198 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267054912 1159101757 /nfs/dbraw/zinc/10/17/57/1159101757.db2.gz HLURDGCBMKEVOC-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262444822 330013540 /nfs/dbraw/zinc/01/35/40/330013540.db2.gz IKEMADTVISKPQP-UONOGXRCSA-N 2 0 278.444 1.921 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@H](COC)C1 ZINC000262486522 330016925 /nfs/dbraw/zinc/01/69/25/330016925.db2.gz SSRVNSSNMAJAPT-KBPBESRZSA-N 2 0 282.432 1.014 10 30 CDEERP [NH2+]=C(NCc1ccc2c[nH+]cn2c1)N1CCSCC1 ZINC000263051623 330040773 /nfs/dbraw/zinc/04/07/73/330040773.db2.gz DMBZNYLMKXFFCE-UHFFFAOYSA-N 2 0 275.381 1.198 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000424297255 330336358 /nfs/dbraw/zinc/33/63/58/330336358.db2.gz QAEQSRUDKAENBD-QPSCCSFWSA-N 2 0 252.402 1.897 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732366250 1159785806 /nfs/dbraw/zinc/78/58/06/1159785806.db2.gz VWLTTXKTTPSLBB-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001481857314 1159950777 /nfs/dbraw/zinc/95/07/77/1159950777.db2.gz UUZJLAAUWGGONN-HOTGVXAUSA-N 2 0 293.455 1.757 10 30 CDEERP C=CC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001707420810 1178036672 /nfs/dbraw/zinc/03/66/72/1178036672.db2.gz BUMVEKWRAZVASG-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001717497660 1180710949 /nfs/dbraw/zinc/71/09/49/1180710949.db2.gz HJGXSHFKXUUMSH-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001733052567 1183266200 /nfs/dbraw/zinc/26/62/00/1183266200.db2.gz DPIJLVBGHAGJFT-GJZGRUSLSA-N 2 0 279.428 1.319 10 30 CDEERP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001689059463 1175090296 /nfs/dbraw/zinc/09/02/96/1175090296.db2.gz ZUZKZXYNAFYNIS-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001690114303 1175380500 /nfs/dbraw/zinc/38/05/00/1175380500.db2.gz MPBOZDJROHUHPY-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940753044 613228649 /nfs/dbraw/zinc/22/86/49/613228649.db2.gz INHMLQSQMQRKMR-RBSFLKMASA-N 2 0 291.439 1.177 10 30 CDEERP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842627 613229086 /nfs/dbraw/zinc/22/90/86/613229086.db2.gz KUDDVCGKVBZOPH-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941221622 613522603 /nfs/dbraw/zinc/52/26/03/613522603.db2.gz YXJGOJLJZIENRC-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925704716 617777115 /nfs/dbraw/zinc/77/71/15/617777115.db2.gz JOQZZFDUERKEDU-AICCOOGYSA-N 2 0 264.413 1.944 10 30 CDEERP C#CC[NH+]1CCC(Nc2cc[nH+]cc2C2CC2)CC1 ZINC000895812029 619856757 /nfs/dbraw/zinc/85/67/57/619856757.db2.gz YYASOUHREGZHHA-UHFFFAOYSA-N 2 0 255.365 1.890 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCC[N@@H+](C)C(C)C ZINC000900186520 622782462 /nfs/dbraw/zinc/78/24/62/622782462.db2.gz WGEOWBIFGLKWBG-UHFFFAOYSA-N 2 0 255.406 1.341 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000900322199 622890896 /nfs/dbraw/zinc/89/08/96/622890896.db2.gz HPAJFYYVLGRLFK-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+](C)CCCC ZINC000900671918 623358285 /nfs/dbraw/zinc/35/82/85/623358285.db2.gz GLPAOIZBRSILDZ-UHFFFAOYSA-N 2 0 255.406 1.342 10 30 CDEERP C=CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903151769 625877456 /nfs/dbraw/zinc/87/74/56/625877456.db2.gz KERIEWYIQOPHJX-IKKMQULASA-N 2 0 250.386 1.671 10 30 CDEERP C=CC[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903505616 626009566 /nfs/dbraw/zinc/00/95/66/626009566.db2.gz FGCJDDAOUCBKNF-BMFZPTHFSA-N 2 0 263.429 1.852 10 30 CDEERP COCC[N@@H+]1CCC[C@@H]1CNC(NC(C)(C)C)=[NH+]C(C)C ZINC000912509816 630049195 /nfs/dbraw/zinc/04/91/95/630049195.db2.gz SMGQOWGRTAOVIZ-CQSZACIVSA-N 2 0 298.475 1.839 10 30 CDEERP C#CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266533245 1158599338 /nfs/dbraw/zinc/59/93/38/1158599338.db2.gz GMWOLUBMKFVSPZ-AWEZNQCLSA-N 2 0 279.428 1.036 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001691040458 1158668939 /nfs/dbraw/zinc/66/89/39/1158668939.db2.gz LVVILKOSDUDNQN-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[NH+]1CCC(C)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001724306457 1159792023 /nfs/dbraw/zinc/79/20/23/1159792023.db2.gz FWLXQUYEOOYMME-UHFFFAOYSA-N 2 0 291.439 1.324 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691807184 1160196683 /nfs/dbraw/zinc/19/66/83/1160196683.db2.gz IQRZAHPCYJRCLC-HDJSIYSDSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001700735376 1160798706 /nfs/dbraw/zinc/79/87/06/1160798706.db2.gz BHZMZRPUIXZTGA-HZPDHXFCSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568274606 1168101464 /nfs/dbraw/zinc/10/14/64/1168101464.db2.gz XSXUECJUZWKIKI-SOUVJXGZSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001567135757 1168590522 /nfs/dbraw/zinc/59/05/22/1168590522.db2.gz ORVGVBGKYALYLA-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001647383993 1168633567 /nfs/dbraw/zinc/63/35/67/1168633567.db2.gz LDKMMQLIHHBFBK-OCCSQVGLSA-N 2 0 285.819 1.449 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001567861043 1169023948 /nfs/dbraw/zinc/02/39/48/1169023948.db2.gz HNEMREHBKFGMAR-KKUMJFAQSA-N 2 0 279.428 1.578 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568497538 1169333040 /nfs/dbraw/zinc/33/30/40/1169333040.db2.gz HZVTUZSVADFSFI-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001569690055 1169966749 /nfs/dbraw/zinc/96/67/49/1169966749.db2.gz JFQUYEIMJZYHIK-GOEBONIOSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001570192549 1170106848 /nfs/dbraw/zinc/10/68/48/1170106848.db2.gz KOFXXGGUNWXMBN-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001570385063 1170148292 /nfs/dbraw/zinc/14/82/92/1170148292.db2.gz XZUHCTNMDPWFEB-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001661073906 1172331407 /nfs/dbraw/zinc/33/14/07/1172331407.db2.gz VBZLQQXYSHLNBZ-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001661792989 1172448248 /nfs/dbraw/zinc/44/82/48/1172448248.db2.gz JYOYVNXPBUMCOD-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001662325357 1172530418 /nfs/dbraw/zinc/53/04/18/1172530418.db2.gz PZWKWSJKGJYSEY-KGLIPLIRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001662940590 1172618064 /nfs/dbraw/zinc/61/80/64/1172618064.db2.gz UJOVKLRSPFQWQN-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001666606295 1173161369 /nfs/dbraw/zinc/16/13/69/1173161369.db2.gz YJGAUIWGSWMJAQ-HZPDHXFCSA-N 2 0 293.455 1.474 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCC1 ZINC001666781794 1173184843 /nfs/dbraw/zinc/18/48/43/1173184843.db2.gz BMGNDMPHFWRUPE-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668833784 1173471281 /nfs/dbraw/zinc/47/12/81/1173471281.db2.gz KJMDYTBLXDVWDP-AVFOFMLLSA-N 2 0 293.455 1.943 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001674551336 1173961983 /nfs/dbraw/zinc/96/19/83/1173961983.db2.gz OGUGXVMZZQOSKM-NRXISQOPSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001676481507 1174231392 /nfs/dbraw/zinc/23/13/92/1174231392.db2.gz SNLNQRPOVZECAM-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001690164686 1175391579 /nfs/dbraw/zinc/39/15/79/1175391579.db2.gz LHRUOZCBWBDOLZ-CVEARBPZSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001690295524 1175430904 /nfs/dbraw/zinc/43/09/04/1175430904.db2.gz ZBDUGYLRFGSGDV-YHUYYLMFSA-N 2 0 291.439 1.367 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001690881099 1175599393 /nfs/dbraw/zinc/59/93/93/1175599393.db2.gz JILJRCMQDHIOBB-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001698564727 1175847028 /nfs/dbraw/zinc/84/70/28/1175847028.db2.gz WREZLBVDVYJKBA-AWEZNQCLSA-N 2 0 265.401 1.189 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001698775763 1175927485 /nfs/dbraw/zinc/92/74/85/1175927485.db2.gz SCKWJYUUIMFEPN-CQSZACIVSA-N 2 0 267.417 1.246 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699098444 1176092000 /nfs/dbraw/zinc/09/20/00/1176092000.db2.gz DJBMTUKJSVVOEX-GJZGRUSLSA-N 2 0 281.444 1.920 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699182229 1176130828 /nfs/dbraw/zinc/13/08/28/1176130828.db2.gz ZJIOKXRPGYRULR-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001699214310 1176143918 /nfs/dbraw/zinc/14/39/18/1176143918.db2.gz JQWJGUXBUBCVES-UHFFFAOYSA-N 2 0 285.819 1.273 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699426898 1176389801 /nfs/dbraw/zinc/38/98/01/1176389801.db2.gz FGNXNSYTEDDTCW-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001699794281 1176624872 /nfs/dbraw/zinc/62/48/72/1176624872.db2.gz ZSLRZHKAPDHNEM-HZPDHXFCSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001699931550 1176686713 /nfs/dbraw/zinc/68/67/13/1176686713.db2.gz DMGCSFSAZGJZOG-ZIAGYGMSSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCC1 ZINC001700142107 1176767911 /nfs/dbraw/zinc/76/79/11/1176767911.db2.gz OJWAFNOERDVHIS-UHFFFAOYSA-N 2 0 253.390 1.143 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001700637373 1177048777 /nfs/dbraw/zinc/04/87/77/1177048777.db2.gz JWKRHTMEPHCKHY-SHTZXODSSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001700644630 1177053841 /nfs/dbraw/zinc/05/38/41/1177053841.db2.gz YLIRQQAXCRZWGQ-SHTZXODSSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001700822082 1177151129 /nfs/dbraw/zinc/15/11/29/1177151129.db2.gz IRWSQPLTIMXUKK-CABCVRRESA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001701024886 1177243725 /nfs/dbraw/zinc/24/37/25/1177243725.db2.gz JDANDFJZAGPBJL-UHFFFAOYSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001713636053 1178691026 /nfs/dbraw/zinc/69/10/26/1178691026.db2.gz VIVBJLHCDDEGRJ-UHFFFAOYSA-N 2 0 287.407 1.086 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001713657117 1178699590 /nfs/dbraw/zinc/69/95/90/1178699590.db2.gz YLKGATUILKSJBM-GFCCVEGCSA-N 2 0 275.824 1.373 10 30 CDEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001713679430 1178706731 /nfs/dbraw/zinc/70/67/31/1178706731.db2.gz QGFBEGXBVMSHPA-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001713897135 1178828908 /nfs/dbraw/zinc/82/89/08/1178828908.db2.gz OKMBKBLUXDPYAQ-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001713925865 1178851537 /nfs/dbraw/zinc/85/15/37/1178851537.db2.gz PCVVCELZFKINEQ-GASCZTMLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001713926905 1178854126 /nfs/dbraw/zinc/85/41/26/1178854126.db2.gz AYEOTISHIOQYTI-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001714024107 1178932339 /nfs/dbraw/zinc/93/23/39/1178932339.db2.gz BYFICPWSDFAFFA-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001714107529 1178975923 /nfs/dbraw/zinc/97/59/23/1178975923.db2.gz RTXGJRZTFJARBE-ZDUSSCGKSA-N 2 0 267.417 1.082 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001714250304 1179046885 /nfs/dbraw/zinc/04/68/85/1179046885.db2.gz CNTZSCYSAUOXQY-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001714377785 1179112853 /nfs/dbraw/zinc/11/28/53/1179112853.db2.gz BXUGZMMWCYZCLK-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714573144 1179229078 /nfs/dbraw/zinc/22/90/78/1179229078.db2.gz UKYCJXWDDFIVMW-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001714584298 1179240795 /nfs/dbraw/zinc/24/07/95/1179240795.db2.gz FQPLAJVSWPQRLA-UHFFFAOYSA-N 2 0 265.401 1.239 10 30 CDEERP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001714918735 1179451027 /nfs/dbraw/zinc/45/10/27/1179451027.db2.gz SIBURVZQUUWKBJ-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001715214008 1179578871 /nfs/dbraw/zinc/57/88/71/1179578871.db2.gz QOTOGTUXBHKKSZ-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001715264675 1179602168 /nfs/dbraw/zinc/60/21/68/1179602168.db2.gz PESHDYGRGWRART-AWEZNQCLSA-N 2 0 297.443 1.015 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001715319075 1179620922 /nfs/dbraw/zinc/62/09/22/1179620922.db2.gz FUZMPHKNYASEDE-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001715496013 1179682814 /nfs/dbraw/zinc/68/28/14/1179682814.db2.gz WBWRUOHKMUVQGV-ZIAGYGMSSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001715981680 1179961546 /nfs/dbraw/zinc/96/15/46/1179961546.db2.gz ZROASZCBIJGJCE-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001716329941 1180156267 /nfs/dbraw/zinc/15/62/67/1180156267.db2.gz MLANCYPFIPSETG-YOVCOIKASA-N 2 0 279.428 1.697 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001716479119 1180243206 /nfs/dbraw/zinc/24/32/06/1180243206.db2.gz ZCUBTXXURPNHAH-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001716519925 1180264253 /nfs/dbraw/zinc/26/42/53/1180264253.db2.gz IEFJSIUIWKWHJB-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001716880093 1180451884 /nfs/dbraw/zinc/45/18/84/1180451884.db2.gz FVXVSTVFQKVWJR-HNNXBMFYSA-N 2 0 277.412 1.096 10 30 CDEERP CC#CC[NH+]1CCC(C)(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001716889368 1180454949 /nfs/dbraw/zinc/45/49/49/1180454949.db2.gz HFRHIAYBEDOWNN-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001716963055 1180482646 /nfs/dbraw/zinc/48/26/46/1180482646.db2.gz JEYAPQZYTBWARJ-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001716975292 1180488274 /nfs/dbraw/zinc/48/82/74/1180488274.db2.gz LCOQKBSWWLSIMA-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001717456523 1180678974 /nfs/dbraw/zinc/67/89/74/1180678974.db2.gz AFFZEXWSEKWKIE-OAHLLOKOSA-N 2 0 293.455 1.426 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001717559086 1180740544 /nfs/dbraw/zinc/74/05/44/1180740544.db2.gz DITAKWILPRJOFV-OCCSQVGLSA-N 2 0 267.417 1.339 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001717645801 1180771984 /nfs/dbraw/zinc/77/19/84/1180771984.db2.gz MPQCYQDFRWLFLO-MGPQQGTHSA-N 2 0 265.401 1.141 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001717883861 1180912654 /nfs/dbraw/zinc/91/26/54/1180912654.db2.gz FBSLQUKAJNBGET-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001717966954 1180950736 /nfs/dbraw/zinc/95/07/36/1180950736.db2.gz UNQUUGSBGRQWHV-HUUCEWRRSA-N 2 0 295.471 1.716 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001717996746 1180963367 /nfs/dbraw/zinc/96/33/67/1180963367.db2.gz QQUSOCQOOACFRO-NFOMZHRRSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001723124063 1181520000 /nfs/dbraw/zinc/52/00/00/1181520000.db2.gz RNVUNIKEMCCBDD-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001725497137 1182024639 /nfs/dbraw/zinc/02/46/39/1182024639.db2.gz VPXMJDGEUOUUPD-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[N@H+](C)CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001731251042 1182275181 /nfs/dbraw/zinc/27/51/81/1182275181.db2.gz FWQYERFGAMKBPG-UHFFFAOYSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001731536160 1182438784 /nfs/dbraw/zinc/43/87/84/1182438784.db2.gz LPIDGUYETZTZRA-CABCVRRESA-N 2 0 299.434 1.823 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001732187963 1182841504 /nfs/dbraw/zinc/84/15/04/1182841504.db2.gz WPVDWSMLLYBLOP-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001732209984 1182858608 /nfs/dbraw/zinc/85/86/08/1182858608.db2.gz YZFSAXADXWGMHA-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+]CCC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001732302194 1182899049 /nfs/dbraw/zinc/89/90/49/1182899049.db2.gz VUHRZVDQHCAUPP-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)CCC)CC2 ZINC001732331698 1182908355 /nfs/dbraw/zinc/90/83/55/1182908355.db2.gz QZXOJWWSDZIEKQ-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732366242 1182928834 /nfs/dbraw/zinc/92/88/34/1182928834.db2.gz VWLTTXKTTPSLBB-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001732940722 1183191269 /nfs/dbraw/zinc/19/12/69/1183191269.db2.gz SCFNTXYITSGEKV-XTBPLBNGSA-N 2 0 299.846 1.874 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001733224826 1183351100 /nfs/dbraw/zinc/35/11/00/1183351100.db2.gz DBOZPTALIQYYFS-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001733226127 1183351512 /nfs/dbraw/zinc/35/15/12/1183351512.db2.gz PDUNXULTIHNTRG-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001733223857 1183352584 /nfs/dbraw/zinc/35/25/84/1183352584.db2.gz PFXTZRZIDLWQMH-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001733360455 1183409058 /nfs/dbraw/zinc/40/90/58/1183409058.db2.gz UFWMIAFZXZRHMJ-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001733409285 1183424390 /nfs/dbraw/zinc/42/43/90/1183424390.db2.gz BTMJBNMZAQHFLI-WBVHZDCISA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001733650739 1183489632 /nfs/dbraw/zinc/48/96/32/1183489632.db2.gz DBSTXHQCKXEACN-CABCVRRESA-N 2 0 281.444 1.587 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001733726469 1183510422 /nfs/dbraw/zinc/51/04/22/1183510422.db2.gz OYWXRQYQMITEGG-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001734019329 1183615726 /nfs/dbraw/zinc/61/57/26/1183615726.db2.gz CSWDWDWHOFFPIM-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001734345776 1183742163 /nfs/dbraw/zinc/74/21/63/1183742163.db2.gz WQMRZANYSKWZPJ-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001734601746 1183841237 /nfs/dbraw/zinc/84/12/37/1183841237.db2.gz YJAVOLWVLNVGMQ-QQFBHYJXSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000876505461 726885036 /nfs/dbraw/zinc/88/50/36/726885036.db2.gz WDDIYSUJIGMITI-SNVBAGLBSA-N 2 0 259.781 1.234 10 30 CDEERP C#CCCCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000878769493 727027694 /nfs/dbraw/zinc/02/76/94/727027694.db2.gz PIXHLBVVPAFFLI-UHFFFAOYSA-N 2 0 264.413 1.977 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000852864814 727040527 /nfs/dbraw/zinc/04/05/27/727040527.db2.gz IUBOLSKQABNXPF-UHFFFAOYSA-N 2 0 295.346 1.209 10 30 CDEERP CCNC(NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)=[NH+]CC ZINC000303368311 727294643 /nfs/dbraw/zinc/29/46/43/727294643.db2.gz ISYGRFDSWZHMRB-OLZOCXBDSA-N 2 0 254.422 1.682 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000876939566 727398752 /nfs/dbraw/zinc/39/87/52/727398752.db2.gz HVRCDARDLPIZBR-LBPRGKRZSA-N 2 0 273.808 1.257 10 30 CDEERP C=C1CC(C)(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000870016934 727846916 /nfs/dbraw/zinc/84/69/16/727846916.db2.gz BOIHUNZOBNVLKI-HUUCEWRRSA-N 2 0 293.455 1.541 10 30 CDEERP C[N@@H+]1C[C@@H]2CN(C[C@@H](O)c3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933740413 728322831 /nfs/dbraw/zinc/32/28/31/728322831.db2.gz SRXOTQOMZWCUBK-ZACQAIPSSA-N 2 0 285.391 1.475 10 30 CDEERP C=CC[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923386735 728359143 /nfs/dbraw/zinc/35/91/43/728359143.db2.gz RDLWOCOXPABSEJ-KGLIPLIRSA-N 2 0 250.386 1.653 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001565971563 1168207388 /nfs/dbraw/zinc/20/73/88/1168207388.db2.gz DMVVTJRHNJRZNI-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1CC ZINC001566025172 1168216612 /nfs/dbraw/zinc/21/66/12/1168216612.db2.gz GSLDXWOAJQPHKO-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001566844857 1168442109 /nfs/dbraw/zinc/44/21/09/1168442109.db2.gz WUAYIOUKPGBKKV-FZKCQIBNSA-N 2 0 291.439 1.816 10 30 CDEERP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001566929943 1168471410 /nfs/dbraw/zinc/47/14/10/1168471410.db2.gz MNLGRUQIVUEYHV-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567054331 1168536824 /nfs/dbraw/zinc/53/68/24/1168536824.db2.gz PSQVLJJGCPWOIP-CJNGLKHVSA-N 2 0 299.434 1.869 10 30 CDEERP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001567201778 1168616402 /nfs/dbraw/zinc/61/64/02/1168616402.db2.gz HXRVYSOVCZAJPB-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567403637 1168738519 /nfs/dbraw/zinc/73/85/19/1168738519.db2.gz PLPWMYYVYDCLKF-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001266348292 894488227 /nfs/dbraw/zinc/48/82/27/894488227.db2.gz YVUVCFLYLQZXOW-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001266350515 894505282 /nfs/dbraw/zinc/50/52/82/894505282.db2.gz VEXOKCZYDDAKDJ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001266562184 895373248 /nfs/dbraw/zinc/37/32/48/895373248.db2.gz POPAUSSXSPDNSF-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266743386 895954716 /nfs/dbraw/zinc/95/47/16/895954716.db2.gz GVPOKXGXPOVWQW-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266770421 896014204 /nfs/dbraw/zinc/01/42/04/896014204.db2.gz VWOQEKNWCLQQHI-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266801432 896072085 /nfs/dbraw/zinc/07/20/85/896072085.db2.gz NMZSJMUMYFHIDH-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001267044507 896625766 /nfs/dbraw/zinc/62/57/66/896625766.db2.gz SIDAMPVVUJETBE-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267053168 896642413 /nfs/dbraw/zinc/64/24/13/896642413.db2.gz LBLUUCGUCBJGKZ-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH+]1CCC[C@H]1CCCNC(=O)CC[N@@H+](C)CC ZINC001267176862 897015083 /nfs/dbraw/zinc/01/50/83/897015083.db2.gz MXMGJBKBTZIWOR-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001480938927 897809970 /nfs/dbraw/zinc/80/99/70/897809970.db2.gz OOHUWQNCLDUQSR-CQSZACIVSA-N 2 0 269.433 1.587 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267456430 897931333 /nfs/dbraw/zinc/93/13/33/897931333.db2.gz XDOLKLNRMAVRET-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001480983168 898427289 /nfs/dbraw/zinc/42/72/89/898427289.db2.gz RIUUTDOXUVLIIO-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001567630057 1168897857 /nfs/dbraw/zinc/89/78/57/1168897857.db2.gz KFXRLEYVGSDDRA-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267646764 899153368 /nfs/dbraw/zinc/15/33/68/899153368.db2.gz RSPXTRVDXOYJHM-HOTGVXAUSA-N 2 0 291.439 1.273 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001267681577 899263972 /nfs/dbraw/zinc/26/39/72/899263972.db2.gz BGRWOXGPELBFHJ-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267992719 900212719 /nfs/dbraw/zinc/21/27/19/900212719.db2.gz VMGYGBRJGAXTDN-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001567699345 1168927417 /nfs/dbraw/zinc/92/74/17/1168927417.db2.gz JPSLRJDARYSJSQ-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001481354343 900483243 /nfs/dbraw/zinc/48/32/43/900483243.db2.gz PCEGYFIFTRCFPF-UHFFFAOYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001268190711 901546084 /nfs/dbraw/zinc/54/60/84/901546084.db2.gz FEMMAZLBVSIAEC-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001481880841 902259007 /nfs/dbraw/zinc/25/90/07/902259007.db2.gz HSQKZEIDEKUFAP-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001481882535 902262049 /nfs/dbraw/zinc/26/20/49/902262049.db2.gz SFEBJMSEVDYIAA-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001268734291 903057584 /nfs/dbraw/zinc/05/75/84/903057584.db2.gz TZMBCKGDRCWJHC-JHJVBQTASA-N 2 0 276.384 1.526 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001268775021 903111961 /nfs/dbraw/zinc/11/19/61/903111961.db2.gz ZYXLGUZEIBDRDE-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001269623716 903989271 /nfs/dbraw/zinc/98/92/71/903989271.db2.gz ZYVSXFBUWZXHIK-ZBFHGGJFSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CC)CC1 ZINC001270345474 904549292 /nfs/dbraw/zinc/54/92/92/904549292.db2.gz DFHDFCCTXIQIOK-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001270516627 904691628 /nfs/dbraw/zinc/69/16/28/904691628.db2.gz GFBVKXFQBOKJMS-CZUORRHYSA-N 2 0 299.434 1.727 10 30 CDEERP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001270624378 904834758 /nfs/dbraw/zinc/83/47/58/904834758.db2.gz PEJBHQVWIJVFFL-ZBFHGGJFSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCOCC1 ZINC001271064559 905603304 /nfs/dbraw/zinc/60/33/04/905603304.db2.gz MNUYTIXRQGHIEQ-CQSZACIVSA-N 2 0 297.443 1.014 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001482460775 905695958 /nfs/dbraw/zinc/69/59/58/905695958.db2.gz DUPKNPHWMJWMEQ-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482877070 908455580 /nfs/dbraw/zinc/45/55/80/908455580.db2.gz NAXKZQJEUSMIGT-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001483376636 911010304 /nfs/dbraw/zinc/01/03/04/911010304.db2.gz KBROUFZHXNOHNZ-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001483908435 915204193 /nfs/dbraw/zinc/20/41/93/915204193.db2.gz KFRXFGFHLRYCPJ-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483929428 915205952 /nfs/dbraw/zinc/20/59/52/915205952.db2.gz KKHYRXWHNIEUAV-JKSUJKDBSA-N 2 0 291.439 1.485 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001483952490 915233770 /nfs/dbraw/zinc/23/37/70/915233770.db2.gz XHGOXSJOAGVMMH-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001484927038 916272000 /nfs/dbraw/zinc/27/20/00/916272000.db2.gz GSTNRELISMOPDL-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001485060039 916460302 /nfs/dbraw/zinc/46/03/02/916460302.db2.gz NBPTVIWMQWJPFP-CVEARBPZSA-N 2 0 293.455 1.519 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001485076933 916476398 /nfs/dbraw/zinc/47/63/98/916476398.db2.gz LNJBSWSUCGGEHG-HOTGVXAUSA-N 2 0 293.455 1.519 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001485096403 916508106 /nfs/dbraw/zinc/50/81/06/916508106.db2.gz ZVGXUEUNWQHFPR-JXQTWKCFSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001485340978 916856966 /nfs/dbraw/zinc/85/69/66/916856966.db2.gz AJJHWCAHCXRIQQ-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001273523712 920103419 /nfs/dbraw/zinc/10/34/19/920103419.db2.gz CZYFNIVCEYGMML-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)CCCn1ccnc1 ZINC001485963935 920609120 /nfs/dbraw/zinc/60/91/20/920609120.db2.gz SZBLOGIZJCPYDY-CQSZACIVSA-N 2 0 276.384 1.123 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001486127941 920759004 /nfs/dbraw/zinc/75/90/04/920759004.db2.gz HZOXOYOOYGBMGE-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001568303604 1169234085 /nfs/dbraw/zinc/23/40/85/1169234085.db2.gz BMXNYOGDHYBVCO-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001486424399 920995027 /nfs/dbraw/zinc/99/50/27/920995027.db2.gz SKFKIIFGHINCBI-KGLIPLIRSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001491154866 936866078 /nfs/dbraw/zinc/86/60/78/936866078.db2.gz WZPUGIXWGKFFHL-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001568463327 1169299506 /nfs/dbraw/zinc/29/95/06/1169299506.db2.gz ZEMBXVHMOUADTI-CQSZACIVSA-N 2 0 281.444 1.328 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001319917179 931491009 /nfs/dbraw/zinc/49/10/09/931491009.db2.gz KJBQQQKUNXCXLZ-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001276320675 935008613 /nfs/dbraw/zinc/00/86/13/935008613.db2.gz VBCZPELJQLBGSQ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001276610745 940430103 /nfs/dbraw/zinc/43/01/03/940430103.db2.gz DEPAEFCHBNUPTC-HUUCEWRRSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001276910242 941690324 /nfs/dbraw/zinc/69/03/24/941690324.db2.gz XPKMNHLRUUMPOF-JYJNAYRXSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC001524268625 970833578 /nfs/dbraw/zinc/83/35/78/970833578.db2.gz XPXVZKNPMXRIJG-QWRGUYRKSA-N 2 0 259.781 1.057 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001277007910 941808129 /nfs/dbraw/zinc/80/81/29/941808129.db2.gz HVPKRCXSHSDQLT-SHTZXODSSA-N 2 0 291.439 1.675 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCOCC1 ZINC001281280992 942556608 /nfs/dbraw/zinc/55/66/08/942556608.db2.gz YQKRAORTFVDXKT-AWEZNQCLSA-N 2 0 297.443 1.158 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001281928081 942631774 /nfs/dbraw/zinc/63/17/74/942631774.db2.gz IXCQPEUHDYMRCU-GJZGRUSLSA-N 2 0 277.412 1.027 10 30 CDEERP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001277474764 942744425 /nfs/dbraw/zinc/74/44/25/942744425.db2.gz TYQADTLNVMMNMU-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C#CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001283296471 942872520 /nfs/dbraw/zinc/87/25/20/942872520.db2.gz JOBCUHKIQJKZDT-OAHLLOKOSA-N 2 0 277.412 1.027 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001316631936 943135404 /nfs/dbraw/zinc/13/54/04/943135404.db2.gz BESNLSWWXKCWRE-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC001284653828 943234606 /nfs/dbraw/zinc/23/46/06/943234606.db2.gz VNTICSZSWNKGAG-ZDUSSCGKSA-N 2 0 269.433 1.633 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001277777248 943510674 /nfs/dbraw/zinc/51/06/74/943510674.db2.gz WBCLWMAPRLTIMK-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001277866905 943901609 /nfs/dbraw/zinc/90/16/09/943901609.db2.gz ZRDNYMOZYQEHDK-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001263820696 943988476 /nfs/dbraw/zinc/98/84/76/943988476.db2.gz FGHCFPMECYOERF-CQSZACIVSA-N 2 0 265.401 1.191 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001264363553 944111549 /nfs/dbraw/zinc/11/15/49/944111549.db2.gz RBRHSVXQIYTYSG-UONOGXRCSA-N 2 0 267.417 1.435 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001264371082 944113690 /nfs/dbraw/zinc/11/36/90/944113690.db2.gz PCRNPOHEYLVEAS-LSDHHAIUSA-N 2 0 281.444 1.826 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001265147813 944247967 /nfs/dbraw/zinc/24/79/67/944247967.db2.gz LHPFKAXDCKIZOI-GASCZTMLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001265416408 944376809 /nfs/dbraw/zinc/37/68/09/944376809.db2.gz ZISHEVBOLAZUID-HRCADAONSA-N 2 0 291.439 1.580 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001265743635 944486354 /nfs/dbraw/zinc/48/63/54/944486354.db2.gz YBTWHVZJIBXMEY-UHFFFAOYSA-N 2 0 293.455 1.759 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001265793788 944511519 /nfs/dbraw/zinc/51/15/19/944511519.db2.gz AMLVVKGULZEMFF-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001265869774 944550324 /nfs/dbraw/zinc/55/03/24/944550324.db2.gz BJZAJFRIPPELFN-CQSZACIVSA-N 2 0 267.417 1.533 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001265979657 944610677 /nfs/dbraw/zinc/61/06/77/944610677.db2.gz QELASHDNZFRJII-QLFBSQMISA-N 2 0 279.428 1.341 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265982640 944612880 /nfs/dbraw/zinc/61/28/80/944612880.db2.gz IVNVBAZVYNEAOI-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266042618 944650274 /nfs/dbraw/zinc/65/02/74/944650274.db2.gz JCRQVSDPEPKQPF-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001278450081 948199997 /nfs/dbraw/zinc/19/99/97/948199997.db2.gz BAFXJEYANWIIMD-IIAWOOMASA-N 2 0 277.412 1.073 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001480050300 971555969 /nfs/dbraw/zinc/55/59/69/971555969.db2.gz IJUQYZMIODAYHZ-INIZCTEOSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480174706 971614325 /nfs/dbraw/zinc/61/43/25/971614325.db2.gz YQKTVYFOOJIIGH-SHTZXODSSA-N 2 0 277.412 1.123 10 30 CDEERP C=CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001324620692 953478305 /nfs/dbraw/zinc/47/83/05/953478305.db2.gz TVXSIDVGAHXDIX-HNNXBMFYSA-N 2 0 265.401 1.237 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001325434307 953901528 /nfs/dbraw/zinc/90/15/28/953901528.db2.gz AGMGUNAZLNLIHF-HUUCEWRRSA-N 2 0 295.471 1.977 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CCC1 ZINC001326899940 954607002 /nfs/dbraw/zinc/60/70/02/954607002.db2.gz RADRZPUJDMIDRJ-OAHLLOKOSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001491732902 955398802 /nfs/dbraw/zinc/39/88/02/955398802.db2.gz RASWTLXPZYMBML-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001491857230 955472987 /nfs/dbraw/zinc/47/29/87/955472987.db2.gz YJOXAHCJEWYBGO-JKSUJKDBSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001492128721 955640865 /nfs/dbraw/zinc/64/08/65/955640865.db2.gz CUHDOULOSRMGPQ-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001329044485 955646655 /nfs/dbraw/zinc/64/66/55/955646655.db2.gz FNTSRLDMVFAXEC-NWDGAFQWSA-N 2 0 293.436 1.539 10 30 CDEERP C=CC[NH2+][C@@H](CCN(C)C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001329749379 956095569 /nfs/dbraw/zinc/09/55/69/956095569.db2.gz GVMFXQDAXREAOL-INIZCTEOSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)C12CC[NH+](CC1)C2 ZINC001329892159 956166121 /nfs/dbraw/zinc/16/61/21/956166121.db2.gz JDHUHPNSAWLMEE-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCOCC[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001331038845 956782540 /nfs/dbraw/zinc/78/25/40/956782540.db2.gz LMTSSQUBEWBAOS-UHFFFAOYSA-N 2 0 297.443 1.064 10 30 CDEERP C=CCC[NH+](C)CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001316870082 957081367 /nfs/dbraw/zinc/08/13/67/957081367.db2.gz MASWKVXBUYYBAY-GASCZTMLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001424038544 957095837 /nfs/dbraw/zinc/09/58/37/957095837.db2.gz GWSRHWZBOXQLAI-AAEUAGOBSA-N 2 0 287.835 1.375 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001317034236 957217655 /nfs/dbraw/zinc/21/76/55/957217655.db2.gz LPYCVFMJBRTICO-JKSUJKDBSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317092487 957265152 /nfs/dbraw/zinc/26/51/52/957265152.db2.gz BTVVQVPFQKGRFI-HDJSIYSDSA-N 2 0 267.417 1.530 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001317464078 957495188 /nfs/dbraw/zinc/49/51/88/957495188.db2.gz RCHNZZPLLDEZRP-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001317491625 957509826 /nfs/dbraw/zinc/50/98/26/957509826.db2.gz DHIHJNBWUIAOHV-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001317540837 957536687 /nfs/dbraw/zinc/53/66/87/957536687.db2.gz MKJFLEDEIPNTFC-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001494666227 972282933 /nfs/dbraw/zinc/28/29/33/972282933.db2.gz DCLOWLJUNYKSTB-KBPBESRZSA-N 2 0 265.401 1.189 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001318830502 958277456 /nfs/dbraw/zinc/27/74/56/958277456.db2.gz GYXHWOMPLGEJAG-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001319831418 958742549 /nfs/dbraw/zinc/74/25/49/958742549.db2.gz JQBXTFOQADDCRM-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001320929186 959463701 /nfs/dbraw/zinc/46/37/01/959463701.db2.gz QTPIJHDBICVDNF-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001569329085 1169768138 /nfs/dbraw/zinc/76/81/38/1169768138.db2.gz FSLDUAQIBGGFNW-JKSUJKDBSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001322442576 960221902 /nfs/dbraw/zinc/22/19/02/960221902.db2.gz MVGIIAZDTOHADK-GFCCVEGCSA-N 2 0 273.808 1.271 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001324100237 961166278 /nfs/dbraw/zinc/16/62/78/961166278.db2.gz WVRUFBKABIJVDT-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001324286072 961287293 /nfs/dbraw/zinc/28/72/93/961287293.db2.gz NSTQUXZNPXDJPD-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2C[C@H]([NH3+])C23CCC3)CCC[NH2+]1 ZINC001341555589 963461789 /nfs/dbraw/zinc/46/17/89/963461789.db2.gz WADMAJDVZQYWOA-SLEUVZQESA-N 2 0 263.385 1.071 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC001342276369 963696510 /nfs/dbraw/zinc/69/65/10/963696510.db2.gz UGVVSBLHHHYYAQ-UONOGXRCSA-N 2 0 269.433 1.763 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001343015952 963885260 /nfs/dbraw/zinc/88/52/60/963885260.db2.gz XOMUIKUBIIGXFO-MBNYWOFBSA-N 2 0 251.374 1.010 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)CC[NH2+]C(C)(C)C ZINC001448869655 967287489 /nfs/dbraw/zinc/28/74/89/967287489.db2.gz BHUAALOKXMCLRY-UHFFFAOYSA-N 2 0 269.433 1.731 10 30 CDEERP CNC(NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)=[NH+]C ZINC000849046041 969433216 /nfs/dbraw/zinc/43/32/16/969433216.db2.gz NGISIQQJFIMKMI-KGLIPLIRSA-N 2 0 260.385 1.127 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001569646138 1169950308 /nfs/dbraw/zinc/95/03/08/1169950308.db2.gz DUNKPRDOZFCAQW-OAHLLOKOSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001495807985 972643575 /nfs/dbraw/zinc/64/35/75/972643575.db2.gz HNIUYXYEHVLLMH-ZDUSSCGKSA-N 2 0 253.390 1.000 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569650736 1169954148 /nfs/dbraw/zinc/95/41/48/1169954148.db2.gz HBEDEQCZJUGZTP-MRXNPFEDSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001497414302 973336023 /nfs/dbraw/zinc/33/60/23/973336023.db2.gz LBJGCFQDLVTTRO-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001498118552 973692650 /nfs/dbraw/zinc/69/26/50/973692650.db2.gz RMSNPFPMQBUDMB-XJKSGUPXSA-N 2 0 297.418 1.317 10 30 CDEERP C=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001498367339 973863220 /nfs/dbraw/zinc/86/32/20/973863220.db2.gz VQEGAAVFSNOFED-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001376727374 974745603 /nfs/dbraw/zinc/74/56/03/974745603.db2.gz BSYBZQQPAIXHHF-QJPTWQEYSA-N 2 0 273.808 1.173 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001377008764 974851287 /nfs/dbraw/zinc/85/12/87/974851287.db2.gz CUFIFKKWISDADE-RYUDHWBXSA-N 2 0 273.808 1.318 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001505647055 974949708 /nfs/dbraw/zinc/94/97/08/974949708.db2.gz ZGUTVCCDKYMQHS-UONOGXRCSA-N 2 0 279.428 1.674 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001506027198 975091438 /nfs/dbraw/zinc/09/14/38/975091438.db2.gz HBMSIKHDPGELDB-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@H+]1C[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001506741398 975215247 /nfs/dbraw/zinc/21/52/47/975215247.db2.gz GIFWZIZLCLHRHS-KGLIPLIRSA-N 2 0 299.434 1.679 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001506853229 975234746 /nfs/dbraw/zinc/23/47/46/975234746.db2.gz TUWJDXWJCDSEPF-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001676481506 1174231963 /nfs/dbraw/zinc/23/19/63/1174231963.db2.gz SNLNQRPOVZECAM-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001676489151 1174232365 /nfs/dbraw/zinc/23/23/65/1174232365.db2.gz YRAUASQNROSTFG-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001676766694 1174269185 /nfs/dbraw/zinc/26/91/85/1174269185.db2.gz HNGPJCYCWIFUMS-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001569915599 1170036634 /nfs/dbraw/zinc/03/66/34/1170036634.db2.gz SOZKKZMYYRWEAT-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001570843629 1170298491 /nfs/dbraw/zinc/29/84/91/1170298491.db2.gz LWNIVPPAEPGIKV-UKRRQHHQSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001571536272 1170469363 /nfs/dbraw/zinc/46/93/63/1170469363.db2.gz MUQOZNCFQPEDRI-KBPBESRZSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001571614643 1170497154 /nfs/dbraw/zinc/49/71/54/1170497154.db2.gz OKMADCCCDYXYAT-UHFFFAOYSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000651701916 398154608 /nfs/dbraw/zinc/15/46/08/398154608.db2.gz FMCJYWRVZQIQMV-BZUAXINKSA-N 2 0 265.445 1.957 10 30 CDEERP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000651706484 398156178 /nfs/dbraw/zinc/15/61/78/398156178.db2.gz CBTALJXHVIVTDE-XHSDSOJGSA-N 2 0 265.445 1.957 10 30 CDEERP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594428128 342897467 /nfs/dbraw/zinc/89/74/67/342897467.db2.gz ZOTZENZUAUAEJU-NSHDSACASA-N 2 0 254.378 1.031 10 30 CDEERP C[NH+](C)CC1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594435133 342898988 /nfs/dbraw/zinc/89/89/88/342898988.db2.gz AZKYVAZLQFLXJN-YMAMQOFZSA-N 2 0 294.443 1.634 10 30 CDEERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437768 342906017 /nfs/dbraw/zinc/90/60/17/342906017.db2.gz PFICNWILOPWIGX-QLFBSQMISA-N 2 0 292.427 1.340 10 30 CDEERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594438768 342906374 /nfs/dbraw/zinc/90/63/74/342906374.db2.gz WWJPEXCPXPSLGY-ZIAGYGMSSA-N 2 0 280.416 1.340 10 30 CDEERP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]1CCC(C)CC1 ZINC000594438242 342906428 /nfs/dbraw/zinc/90/64/28/342906428.db2.gz NNVCCVGKOYZDBR-CABCVRRESA-N 2 0 294.443 1.634 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000594441939 342907678 /nfs/dbraw/zinc/90/76/78/342907678.db2.gz YWQRJCQAQPXRPV-AWEZNQCLSA-N 2 0 280.416 1.390 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000594442029 342907726 /nfs/dbraw/zinc/90/77/26/342907726.db2.gz ZSMGOFSBMHEIJG-GJZGRUSLSA-N 2 0 292.427 1.484 10 30 CDEERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594425061 342904320 /nfs/dbraw/zinc/90/43/20/342904320.db2.gz JMKUMOHMRKAISE-STQMWFEESA-N 2 0 268.405 1.229 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000595958736 343196030 /nfs/dbraw/zinc/19/60/30/343196030.db2.gz GYXAPQNJWJMQJB-KKUMJFAQSA-N 2 0 292.427 1.531 10 30 CDEERP CNC(=[NH2+])NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000153557417 361358760 /nfs/dbraw/zinc/35/87/60/361358760.db2.gz RFPJFIMGWYTQFR-OAHLLOKOSA-N 2 0 260.385 1.575 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001662642135 1172573634 /nfs/dbraw/zinc/57/36/34/1172573634.db2.gz ZWYNZWMCWLERMI-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[N@@H+](C)CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001664893939 1172923440 /nfs/dbraw/zinc/92/34/40/1172923440.db2.gz KZPAPCZQUKQIBT-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)CCC[NH2+]1 ZINC000662776066 413477027 /nfs/dbraw/zinc/47/70/27/413477027.db2.gz UGSHGLWSONGVBR-GZBFAFLISA-N 2 0 265.401 1.271 10 30 CDEERP C=CC[C@@H](CO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657435926 414333056 /nfs/dbraw/zinc/33/30/56/414333056.db2.gz QQEZIWCAJFNNOH-LBPRGKRZSA-N 2 0 258.325 1.294 10 30 CDEERP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C#CC[NH3+])C1 ZINC000044560315 175204228 /nfs/dbraw/zinc/20/42/28/175204228.db2.gz VPDNOELEDHJQEM-AWEZNQCLSA-N 2 0 285.391 1.068 10 30 CDEERP C[NH+](C)CC1CC[NH+](CCCC[C@](C)(N)C#N)CC1 ZINC000045315801 175357681 /nfs/dbraw/zinc/35/76/81/175357681.db2.gz MAWJVYXQQPDJER-HNNXBMFYSA-N 2 0 266.433 1.671 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001665828135 1173069208 /nfs/dbraw/zinc/06/92/08/1173069208.db2.gz JUGPXMSLBOLHBJ-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148523 176044179 /nfs/dbraw/zinc/04/41/79/176044179.db2.gz FZSZWEPJOPPQAL-AWEZNQCLSA-N 2 0 272.396 1.456 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001667032688 1173225791 /nfs/dbraw/zinc/22/57/91/1173225791.db2.gz DLMDWFQXTVJHNT-KGLIPLIRSA-N 2 0 269.433 1.585 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001669955824 1173638362 /nfs/dbraw/zinc/63/83/62/1173638362.db2.gz KTIMYKNMMXUOLB-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001671437203 1173682744 /nfs/dbraw/zinc/68/27/44/1173682744.db2.gz NIOWAOGCUXBMML-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001673929720 1173899765 /nfs/dbraw/zinc/89/97/65/1173899765.db2.gz WIQCMDHMHFWTSI-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001698855576 1159116615 /nfs/dbraw/zinc/11/66/15/1159116615.db2.gz HDDIAHSYZHJNRB-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C[NH+]=C(N[C@H]1CC1(C)C)NC1CC[NH+](C(C)C)CC1 ZINC000262204986 330004134 /nfs/dbraw/zinc/00/41/34/330004134.db2.gz IUHQPDYQEKDSPV-ZDUSSCGKSA-N 2 0 266.433 1.823 10 30 CDEERP [NH2+]=C(NC1CC([NH+]2CCCCC2)C1)NC1CCCC1 ZINC000262350823 330007509 /nfs/dbraw/zinc/00/75/09/330007509.db2.gz IOAJABVKGJLGFX-UHFFFAOYSA-N 2 0 264.417 1.850 10 30 CDEERP [NH2+]=C(NCC1CCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000262483401 330016970 /nfs/dbraw/zinc/01/69/70/330016970.db2.gz RYTWKGVIOSXCHJ-UHFFFAOYSA-N 2 0 264.417 1.708 10 30 CDEERP CC(C)C[N@@H+]1CCCC[C@@H]1CNC1=[NH+]CCN1C ZINC000262658989 330024935 /nfs/dbraw/zinc/02/49/35/330024935.db2.gz MKSXABSMLCJBHK-CYBMUJFWSA-N 2 0 252.406 1.388 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001691482090 1159376180 /nfs/dbraw/zinc/37/61/80/1159376180.db2.gz ZKRVOTSRVZAZCD-ZQDZILKHSA-N 2 0 279.428 1.530 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482331149 1160155239 /nfs/dbraw/zinc/15/52/39/1160155239.db2.gz OCGXZCIINCBVOX-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP CCN[C@@](C)(C#N)C[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068612662 520128405 /nfs/dbraw/zinc/12/84/05/520128405.db2.gz PJVOFFRQDHQPQZ-GDBMZVCRSA-N 2 0 280.460 1.930 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691670128 1161485602 /nfs/dbraw/zinc/48/56/02/1161485602.db2.gz IGVVLMFFXORJEZ-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[N@H+](C)CCNC(=O)CCCC[NH+]1CCCC1 ZINC001713478420 1178594200 /nfs/dbraw/zinc/59/42/00/1178594200.db2.gz BANQPTZEXDAMNO-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001725189339 1181915651 /nfs/dbraw/zinc/91/56/51/1181915651.db2.gz JKDKLUHSOUVLPT-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001731960556 1182700504 /nfs/dbraw/zinc/70/05/04/1182700504.db2.gz DPGSFCXEQIKXKW-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333417916 526440414 /nfs/dbraw/zinc/44/04/14/526440414.db2.gz SDHVZQIJRSJLGT-AWEZNQCLSA-N 2 0 280.416 1.078 10 30 CDEERP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001690197959 1175400689 /nfs/dbraw/zinc/40/06/89/1175400689.db2.gz YUVCWHOCTMMKES-MRXNPFEDSA-N 2 0 293.455 1.522 10 30 CDEERP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166909 613741141 /nfs/dbraw/zinc/74/11/41/613741141.db2.gz LOTCAPGKRVDFJO-CQSZACIVSA-N 2 0 291.439 1.485 10 30 CDEERP C=CC1CC[NH+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903893295 626134648 /nfs/dbraw/zinc/13/46/48/626134648.db2.gz UOYRVHNMBLZFKY-OAHLLOKOSA-N 2 0 276.428 1.744 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000907378342 627628003 /nfs/dbraw/zinc/62/80/03/627628003.db2.gz ZAFVPTLDVILAAC-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCN(C(=O)NCC[NH+](CC)CC)C1CC[NH+](C)CC1 ZINC000913831242 630816166 /nfs/dbraw/zinc/81/61/66/630816166.db2.gz SJVRYPRNWBOXOD-UHFFFAOYSA-N 2 0 294.443 1.067 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000914068860 631003607 /nfs/dbraw/zinc/00/36/07/631003607.db2.gz QSSWWUIOTBTMIB-CQSZACIVSA-N 2 0 294.443 1.114 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001271093447 1160244612 /nfs/dbraw/zinc/24/46/12/1160244612.db2.gz OENZZAAMPRYCPO-UONOGXRCSA-N 2 0 269.433 1.585 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001566809177 1168430574 /nfs/dbraw/zinc/43/05/74/1168430574.db2.gz KLULXPBMYCOQGC-FPCVCCKLSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001566852970 1168445074 /nfs/dbraw/zinc/44/50/74/1168445074.db2.gz NHYUWTWNHLUNBS-OKILXGFUSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001568113012 1169138351 /nfs/dbraw/zinc/13/83/51/1169138351.db2.gz RVNXGYYGOHIPMZ-SHTZXODSSA-N 2 0 289.423 1.123 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001569420872 1169874144 /nfs/dbraw/zinc/87/41/44/1169874144.db2.gz DFDHULJFAKIFKL-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001569867048 1170022664 /nfs/dbraw/zinc/02/26/64/1170022664.db2.gz LDEANBCRUSOGLD-BZUAXINKSA-N 2 0 291.439 1.084 10 30 CDEERP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001570530166 1170181710 /nfs/dbraw/zinc/18/17/10/1170181710.db2.gz FTZMWBZSJHDTKU-OWCLPIDISA-N 2 0 293.455 1.826 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001656241086 1171798145 /nfs/dbraw/zinc/79/81/45/1171798145.db2.gz MVXUJCLZYRGYNO-VGWMRTNUSA-N 2 0 293.455 1.920 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001662335549 1172532840 /nfs/dbraw/zinc/53/28/40/1172532840.db2.gz ZYKKVYFDZLEJGB-CYBMUJFWSA-N 2 0 267.417 1.082 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC=C(C)C)CC1 ZINC001662426323 1172548033 /nfs/dbraw/zinc/54/80/33/1172548033.db2.gz XBEYJDWYSUPIBJ-HNNXBMFYSA-N 2 0 291.439 1.392 10 30 CDEERP C#CC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001674353490 1173936410 /nfs/dbraw/zinc/93/64/10/1173936410.db2.gz OCMZJPHOPDBVSD-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001676667346 1174253041 /nfs/dbraw/zinc/25/30/41/1174253041.db2.gz DEIOPZDBYBMSAL-LSDHHAIUSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001691760494 1174724610 /nfs/dbraw/zinc/72/46/10/1174724610.db2.gz ZLASDUKYOGJVOD-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001690253574 1175411535 /nfs/dbraw/zinc/41/15/35/1175411535.db2.gz DDMRWNAAKCOXFY-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001690584148 1175512185 /nfs/dbraw/zinc/51/21/85/1175512185.db2.gz GOFSOWLOLHDYNW-KBPBESRZSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001692111925 1175678533 /nfs/dbraw/zinc/67/85/33/1175678533.db2.gz DQQIPIRMXBOCOB-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001692325581 1175736818 /nfs/dbraw/zinc/73/68/18/1175736818.db2.gz GTCFLZIANQAYBU-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001698655102 1175888383 /nfs/dbraw/zinc/88/83/83/1175888383.db2.gz ZYVSXFBUWZXHIK-GOEBONIOSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+]C[C@@](C)(NC(=O)CCC[NH+]1CCCC1)C1CC1 ZINC001698654017 1175888400 /nfs/dbraw/zinc/88/84/00/1175888400.db2.gz RWDKRYJFZTUTCB-QGZVFWFLSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001698802964 1175939558 /nfs/dbraw/zinc/93/95/58/1175939558.db2.gz LOLZFGJNEZDMNH-GASCZTMLSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001699188794 1176133364 /nfs/dbraw/zinc/13/33/64/1176133364.db2.gz PSSHAGZIKKJJQT-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001699315673 1176217411 /nfs/dbraw/zinc/21/74/11/1176217411.db2.gz USDOTRHQHAEOPL-WAYWQWQTSA-N 2 0 277.412 1.004 10 30 CDEERP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001699876437 1176665857 /nfs/dbraw/zinc/66/58/57/1176665857.db2.gz GOFJPMKZVGWINJ-RDJZCZTQSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001700364164 1176875919 /nfs/dbraw/zinc/87/59/19/1176875919.db2.gz OYQHRNLJNODZDC-OAHLLOKOSA-N 2 0 291.439 1.581 10 30 CDEERP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001700575691 1177024304 /nfs/dbraw/zinc/02/43/04/1177024304.db2.gz HXLPPTVAIGIVBU-CQSZACIVSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001700888962 1177179892 /nfs/dbraw/zinc/17/98/92/1177179892.db2.gz RUYJZPASHCZLDB-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001700993378 1177230069 /nfs/dbraw/zinc/23/00/69/1177230069.db2.gz SGZYUIABPQPINY-QWHCGFSZSA-N 2 0 269.433 1.633 10 30 CDEERP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001713388673 1178533168 /nfs/dbraw/zinc/53/31/68/1178533168.db2.gz CNQHLLBQTMNTDK-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713896514 1178827883 /nfs/dbraw/zinc/82/78/83/1178827883.db2.gz CWMBEXUOUMPGOO-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001714006741 1178922735 /nfs/dbraw/zinc/92/27/35/1178922735.db2.gz BAVOVFDWSFLDRW-OKILXGFUSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CC=C)CC1 ZINC001714125634 1178984027 /nfs/dbraw/zinc/98/40/27/1178984027.db2.gz ZMRTXWQIAUNASX-HNNXBMFYSA-N 2 0 277.412 1.002 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001714713533 1179353035 /nfs/dbraw/zinc/35/30/35/1179353035.db2.gz APCVPDOXXHYBTG-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001715205727 1179576638 /nfs/dbraw/zinc/57/66/38/1179576638.db2.gz QCNOSKIPSDLERV-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001715257381 1179598435 /nfs/dbraw/zinc/59/84/35/1179598435.db2.gz OJNJGUQOGKJOSU-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001715312346 1179618595 /nfs/dbraw/zinc/61/85/95/1179618595.db2.gz SABFGWIDVMTWDT-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001715337392 1179631657 /nfs/dbraw/zinc/63/16/57/1179631657.db2.gz IAPQABNDMVRYPK-UONOGXRCSA-N 2 0 285.407 1.126 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715975365 1179956963 /nfs/dbraw/zinc/95/69/63/1179956963.db2.gz AYCGFSJMWUDVIY-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716008705 1179979646 /nfs/dbraw/zinc/97/96/46/1179979646.db2.gz JBNGZIFMXGQXRG-HNNXBMFYSA-N 2 0 281.444 1.923 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001716067082 1180028444 /nfs/dbraw/zinc/02/84/44/1180028444.db2.gz KZSUMXJBPSXTFW-HOTGVXAUSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001716223829 1180110490 /nfs/dbraw/zinc/11/04/90/1180110490.db2.gz FSKMWNLJEDNESG-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001716501285 1180256150 /nfs/dbraw/zinc/25/61/50/1180256150.db2.gz CLWXHAKEIRIMJP-AWEZNQCLSA-N 2 0 297.443 1.110 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001716691310 1180372629 /nfs/dbraw/zinc/37/26/29/1180372629.db2.gz GXXSHLRNMWXTDS-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001716874276 1180449106 /nfs/dbraw/zinc/44/91/06/1180449106.db2.gz KSLQMEIBVYEQGJ-WBVHZDCISA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001717092942 1180529412 /nfs/dbraw/zinc/52/94/12/1180529412.db2.gz HIXZOHOUQDDERP-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001717126127 1180538516 /nfs/dbraw/zinc/53/85/16/1180538516.db2.gz WGVWYCPRCZDWNJ-JYJNAYRXSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001717186831 1180563892 /nfs/dbraw/zinc/56/38/92/1180563892.db2.gz TZFCIKRVOYCYBW-HNNXBMFYSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001717309850 1180614351 /nfs/dbraw/zinc/61/43/51/1180614351.db2.gz VJAOXAZCYBGBGE-AWEZNQCLSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001717415636 1180660887 /nfs/dbraw/zinc/66/08/87/1180660887.db2.gz LVDXQYNFYSMAJY-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001717757847 1180834050 /nfs/dbraw/zinc/83/40/50/1180834050.db2.gz RIRZIJYMDRSAGH-AWEZNQCLSA-N 2 0 269.433 1.729 10 30 CDEERP CC#CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001717843183 1180887839 /nfs/dbraw/zinc/88/78/39/1180887839.db2.gz WHOPXAFJRGGZHG-RDJZCZTQSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717879664 1180909366 /nfs/dbraw/zinc/90/93/66/1180909366.db2.gz RYPDGHIXATZQJK-KGLIPLIRSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001723689649 1181592630 /nfs/dbraw/zinc/59/26/30/1181592630.db2.gz AEKJQFMOTCAZPJ-KRWDZBQOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001725051921 1181834984 /nfs/dbraw/zinc/83/49/84/1181834984.db2.gz DZYIMDSHXUJAFU-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725148251 1181882544 /nfs/dbraw/zinc/88/25/44/1181882544.db2.gz ZLUQHTOAVVVSEX-OAHLLOKOSA-N 2 0 293.455 1.426 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001725680819 1182095952 /nfs/dbraw/zinc/09/59/52/1182095952.db2.gz WQMTVSNLZJDNEX-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001725684955 1182097386 /nfs/dbraw/zinc/09/73/86/1182097386.db2.gz ZAIGGWIWSYHLET-UONOGXRCSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C(C)(C)C ZINC001725740344 1182118060 /nfs/dbraw/zinc/11/80/60/1182118060.db2.gz PHKBNTGHYCIHMR-YRGRVCCFSA-N 2 0 288.395 1.267 10 30 CDEERP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001731535492 1182439933 /nfs/dbraw/zinc/43/99/33/1182439933.db2.gz GHJAVZFCPHOQHR-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001731729097 1182536675 /nfs/dbraw/zinc/53/66/75/1182536675.db2.gz HKRKHXOTINQQGQ-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001731833593 1182616097 /nfs/dbraw/zinc/61/60/97/1182616097.db2.gz HRZLBPFWJUXKSD-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001731961456 1182701628 /nfs/dbraw/zinc/70/16/28/1182701628.db2.gz PLHVFHMWGRXMBK-UONOGXRCSA-N 2 0 299.846 1.804 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001732004700 1182721855 /nfs/dbraw/zinc/72/18/55/1182721855.db2.gz VLPAOURBIHFEAN-CQSZACIVSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)CCC)C1 ZINC001732187187 1182842027 /nfs/dbraw/zinc/84/20/27/1182842027.db2.gz YJSAWCPMEZTUAI-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732344207 1182917327 /nfs/dbraw/zinc/91/73/27/1182917327.db2.gz ULQLRGNGCWBDIQ-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001732405275 1182946626 /nfs/dbraw/zinc/94/66/26/1182946626.db2.gz KOQLBUMVOJLVNB-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001732550630 1183004024 /nfs/dbraw/zinc/00/40/24/1183004024.db2.gz AMDNVUGHGCUIKR-MRXNPFEDSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001732724803 1183094688 /nfs/dbraw/zinc/09/46/88/1183094688.db2.gz VGMFZLLXGWINJF-LBPRGKRZSA-N 2 0 287.835 1.565 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001733106313 1183293074 /nfs/dbraw/zinc/29/30/74/1183293074.db2.gz DNLFJYKPWRYELU-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001733136528 1183304097 /nfs/dbraw/zinc/30/40/97/1183304097.db2.gz XERKJHQVOFATTO-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001733248005 1183369010 /nfs/dbraw/zinc/36/90/10/1183369010.db2.gz VFFUJUKGKYZKSU-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCC[NH+]1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001733317776 1183394720 /nfs/dbraw/zinc/39/47/20/1183394720.db2.gz RKBXPRIXSFBAKN-UHFFFAOYSA-N 2 0 279.428 1.581 10 30 CDEERP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](C(C)C)CC1 ZINC001733374209 1183412091 /nfs/dbraw/zinc/41/20/91/1183412091.db2.gz XYSPPQWRIWKFMO-UHFFFAOYSA-N 2 0 293.455 1.663 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001733930937 1183572602 /nfs/dbraw/zinc/57/26/02/1183572602.db2.gz ZULNISCQQPOJSI-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001733943358 1183578540 /nfs/dbraw/zinc/57/85/40/1183578540.db2.gz JIKGKWSSWBONHW-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877249310 728769072 /nfs/dbraw/zinc/76/90/72/728769072.db2.gz ITCLSNBMTJPUQP-WOPDTQHZSA-N 2 0 271.792 1.009 10 30 CDEERP N#Cc1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923450425 728891602 /nfs/dbraw/zinc/89/16/02/728891602.db2.gz HFNPROJFTIHMCS-INIZCTEOSA-N 2 0 285.391 1.888 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246225 728399642 /nfs/dbraw/zinc/39/96/42/728399642.db2.gz RXROXQDPLVFRGP-USZNOCQGSA-N 2 0 271.792 1.103 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000876713597 728543846 /nfs/dbraw/zinc/54/38/46/728543846.db2.gz RMHYSZUOJNVARD-CHWSQXEVSA-N 2 0 287.835 1.837 10 30 CDEERP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NC1CCCCC1 ZINC000304831328 728567639 /nfs/dbraw/zinc/56/76/39/728567639.db2.gz KOEROWPBCBICCC-AWEZNQCLSA-N 2 0 284.448 1.580 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000876526136 728588891 /nfs/dbraw/zinc/58/88/91/728588891.db2.gz SUAILNUHLAAHJB-QWRGUYRKSA-N 2 0 259.781 1.057 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000928658725 729054512 /nfs/dbraw/zinc/05/45/12/729054512.db2.gz ZURIDXKBPOXAQA-QLFBSQMISA-N 2 0 291.439 1.462 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000876794478 729138272 /nfs/dbraw/zinc/13/82/72/729138272.db2.gz AHPYHPSIXVJABV-GFCCVEGCSA-N 2 0 283.759 1.433 10 30 CDEERP CC[NH+](CC)C[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852870469 729884021 /nfs/dbraw/zinc/88/40/21/729884021.db2.gz UHJLJOKUMCSFTO-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000876741998 729963829 /nfs/dbraw/zinc/96/38/29/729963829.db2.gz QBDHWRAZCLYPLG-CHWSQXEVSA-N 2 0 287.835 1.693 10 30 CDEERP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858335127 730044973 /nfs/dbraw/zinc/04/49/73/730044973.db2.gz VXMAXGQFTIBHHW-ZIAGYGMSSA-N 2 0 252.402 1.877 10 30 CDEERP C#CCCCCCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930903519 730353510 /nfs/dbraw/zinc/35/35/10/730353510.db2.gz MTOGGYAVZWWFDO-INIZCTEOSA-N 2 0 266.429 1.959 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001274165558 1166578786 /nfs/dbraw/zinc/57/87/86/1166578786.db2.gz ZDBMXZVTNCYOMN-ONEGZZNKSA-N 2 0 277.412 1.453 10 30 CDEERP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)CCC ZINC001707057171 1167072909 /nfs/dbraw/zinc/07/29/09/1167072909.db2.gz YMRKTGLQIPQLAT-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1CC ZINC001569342115 1167556741 /nfs/dbraw/zinc/55/67/41/1167556741.db2.gz FRFXKKDQPRRCFG-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001566714261 1168034176 /nfs/dbraw/zinc/03/41/76/1168034176.db2.gz JGNDZOQRKWVAED-LSDHHAIUSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001646799156 1168139667 /nfs/dbraw/zinc/13/96/67/1168139667.db2.gz MZVGNKGRQIVOSO-NQBHXWOUSA-N 2 0 271.792 1.105 10 30 CDEERP C#CCC[NH+]1CCC([C@H](C)NC(=O)Cc2ncc[nH]2)CC1 ZINC001279164508 913412090 /nfs/dbraw/zinc/41/20/90/913412090.db2.gz QSHYHVZCNHDMKB-ZDUSSCGKSA-N 2 0 288.395 1.192 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266439690 894907847 /nfs/dbraw/zinc/90/78/47/894907847.db2.gz UOAUFWLUAZHHMA-UKRRQHHQSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266555297 895344225 /nfs/dbraw/zinc/34/42/25/895344225.db2.gz VLJCSQGQWOFWDF-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCC=C)C2)CC1 ZINC001266640666 895663347 /nfs/dbraw/zinc/66/33/47/895663347.db2.gz YEJVWAWVWJSWMI-WKILWMFISA-N 2 0 289.423 1.145 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCC1CC[NH+](CCC)CC1 ZINC001143391509 895867341 /nfs/dbraw/zinc/86/73/41/895867341.db2.gz HDNBVSBOHYKIKA-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266813867 896103571 /nfs/dbraw/zinc/10/35/71/896103571.db2.gz DUEOMAYSXKIYSG-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266986861 896502234 /nfs/dbraw/zinc/50/22/34/896502234.db2.gz DHYAGNDNACMXLP-OLZOCXBDSA-N 2 0 255.406 1.243 10 30 CDEERP C=C(C)C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001267323331 897590415 /nfs/dbraw/zinc/59/04/15/897590415.db2.gz XEIIONXOAOYOQA-AWEZNQCLSA-N 2 0 265.401 1.237 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001267373092 897750059 /nfs/dbraw/zinc/75/00/59/897750059.db2.gz MPSZPPFQELLZLP-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001267408561 897875770 /nfs/dbraw/zinc/87/57/70/897875770.db2.gz IYBBMYAHWYFUOM-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267777386 899699736 /nfs/dbraw/zinc/69/97/36/899699736.db2.gz QOKPICPJGSIITG-KBPBESRZSA-N 2 0 267.417 1.435 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267937130 900008874 /nfs/dbraw/zinc/00/88/74/900008874.db2.gz IDLVQBZVJZXOFL-ZIAGYGMSSA-N 2 0 285.407 1.433 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001267970405 900121436 /nfs/dbraw/zinc/12/14/36/900121436.db2.gz QOWDIIDESNSYKR-OAHLLOKOSA-N 2 0 291.439 1.629 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001267987828 900202855 /nfs/dbraw/zinc/20/28/55/900202855.db2.gz ZJOXCKJVHSURAW-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001268293130 901770108 /nfs/dbraw/zinc/77/01/08/901770108.db2.gz YKMGGBAZTYJTPR-UONOGXRCSA-N 2 0 265.401 1.143 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=C)C)CC1 ZINC001282240975 901772752 /nfs/dbraw/zinc/77/27/52/901772752.db2.gz HQUKWYWVXMOCNT-GJZGRUSLSA-N 2 0 291.439 1.391 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001481696724 901824219 /nfs/dbraw/zinc/82/42/19/901824219.db2.gz QTJWNKRDKAUAMH-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001268547972 902547273 /nfs/dbraw/zinc/54/72/73/902547273.db2.gz IZRDWGZQXZQPSQ-WSNITJDQSA-N 2 0 299.846 1.875 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001482065330 902583291 /nfs/dbraw/zinc/58/32/91/902583291.db2.gz ZFIYUHUTVRMGGO-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001268742420 903066187 /nfs/dbraw/zinc/06/61/87/903066187.db2.gz HPTDKMVKAMYUKG-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269135591 903463840 /nfs/dbraw/zinc/46/38/40/903463840.db2.gz NSQWSSMPFCUIAG-AWEZNQCLSA-N 2 0 277.412 1.143 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1CC ZINC001269180802 903510415 /nfs/dbraw/zinc/51/04/15/903510415.db2.gz FNTRHKFSSOXMCU-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001269623715 903990302 /nfs/dbraw/zinc/99/03/02/903990302.db2.gz ZYVSXFBUWZXHIK-GDBMZVCRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001482245061 904134566 /nfs/dbraw/zinc/13/45/66/904134566.db2.gz QLHOOIUWFRTYFU-UHFFFAOYSA-N 2 0 265.401 1.049 10 30 CDEERP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)CCC)CC2 ZINC001482246716 904156681 /nfs/dbraw/zinc/15/66/81/904156681.db2.gz QAFSWOBLHIKPRS-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001270421136 904624590 /nfs/dbraw/zinc/62/45/90/904624590.db2.gz AETJUCVVLNMWII-HOTGVXAUSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001505625401 908088784 /nfs/dbraw/zinc/08/87/84/908088784.db2.gz JRRZQCNJGYAWIQ-KGLIPLIRSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273017801 921565466 /nfs/dbraw/zinc/56/54/66/921565466.db2.gz RWQUTDMWRAOSDA-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483392554 911046717 /nfs/dbraw/zinc/04/67/17/911046717.db2.gz ABDLPZFJWHKJIJ-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001568147640 1169148137 /nfs/dbraw/zinc/14/81/37/1169148137.db2.gz LCTDDJMLHLWXLK-HZPDHXFCSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H](C)C1 ZINC001483914723 915187950 /nfs/dbraw/zinc/18/79/50/915187950.db2.gz ARODHTMVTKVPAQ-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001484145589 915458928 /nfs/dbraw/zinc/45/89/28/915458928.db2.gz CWJWVGTZCWYFQL-OAHLLOKOSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001484414945 915740480 /nfs/dbraw/zinc/74/04/80/915740480.db2.gz HRSFHTDJEQVQIY-GASCZTMLSA-N 2 0 279.428 1.293 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001484526087 915855958 /nfs/dbraw/zinc/85/59/58/915855958.db2.gz WEAZUWJCTHKCLD-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001485168408 916606071 /nfs/dbraw/zinc/60/60/71/916606071.db2.gz JDCMFVWLDWTGCQ-QWHCGFSZSA-N 2 0 298.390 1.762 10 30 CDEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001495457249 936833370 /nfs/dbraw/zinc/83/33/70/936833370.db2.gz BGWDCYWDEFGUOR-RBSFLKMASA-N 2 0 281.444 1.920 10 30 CDEERP CC#CC[NH2+]C1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001491360431 936898189 /nfs/dbraw/zinc/89/81/89/936898189.db2.gz ICJJAXJIHHCVAO-UHFFFAOYSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273298044 925759788 /nfs/dbraw/zinc/75/97/88/925759788.db2.gz HFWHLIPPYWITKT-LBPRGKRZSA-N 2 0 273.808 1.271 10 30 CDEERP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001488664711 926643579 /nfs/dbraw/zinc/64/35/79/926643579.db2.gz VGIZJGQATYNRSB-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001490596096 927249637 /nfs/dbraw/zinc/24/96/37/927249637.db2.gz UKYUGONJPMRBMJ-OAHLLOKOSA-N 2 0 289.423 1.075 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001490660631 927291019 /nfs/dbraw/zinc/29/10/19/927291019.db2.gz HGLIRFMHMYXXGQ-HOTGVXAUSA-N 2 0 293.455 1.920 10 30 CDEERP C#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]21 ZINC001568516605 1169343671 /nfs/dbraw/zinc/34/36/71/1169343671.db2.gz ZOUOITDZJIQANF-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+]1CCCC ZINC001136464944 931072797 /nfs/dbraw/zinc/07/27/97/931072797.db2.gz ADOREEKEXBRCMN-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001274741056 931564361 /nfs/dbraw/zinc/56/43/61/931564361.db2.gz HKRKHXOTINQQGQ-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001275214865 931701185 /nfs/dbraw/zinc/70/11/85/931701185.db2.gz KKDVPYYIVLQAPP-UONOGXRCSA-N 2 0 267.417 1.387 10 30 CDEERP C#CCCCCCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930903521 933471012 /nfs/dbraw/zinc/47/10/12/933471012.db2.gz MTOGGYAVZWWFDO-MRXNPFEDSA-N 2 0 266.429 1.959 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001282140353 942668236 /nfs/dbraw/zinc/66/82/36/942668236.db2.gz ILYACMIYLITMHJ-OLZOCXBDSA-N 2 0 267.417 1.530 10 30 CDEERP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001282400875 942707387 /nfs/dbraw/zinc/70/73/87/942707387.db2.gz CHHBOCHGIBZYEJ-KGLIPLIRSA-N 2 0 267.417 1.032 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001284600128 943221247 /nfs/dbraw/zinc/22/12/47/943221247.db2.gz ZYHHLTBMFYLMEX-KBPBESRZSA-N 2 0 281.444 1.326 10 30 CDEERP C#CCC[C@H](O)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC001474692210 971034131 /nfs/dbraw/zinc/03/41/31/971034131.db2.gz AACAMLWCEGJVBX-INIZCTEOSA-N 2 0 266.429 1.861 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001265359169 944359462 /nfs/dbraw/zinc/35/94/62/944359462.db2.gz YSFBZQDVFFYVCH-GJZGRUSLSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001265674050 944465729 /nfs/dbraw/zinc/46/57/29/944465729.db2.gz QMMANGADUYIVNM-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001265793789 944511251 /nfs/dbraw/zinc/51/12/51/944511251.db2.gz AMLVVKGULZEMFF-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001266117709 944693787 /nfs/dbraw/zinc/69/37/87/944693787.db2.gz ZCHJSNVNCJBOMJ-OAHLLOKOSA-N 2 0 289.423 1.028 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266153180 944718568 /nfs/dbraw/zinc/71/85/68/944718568.db2.gz ZTWVNFAZHOIRQQ-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)C[C@@H](C)n1ccnc1)C1CC1 ZINC001266162175 944726043 /nfs/dbraw/zinc/72/60/43/944726043.db2.gz TWZJNJXSVAHSPB-CQSZACIVSA-N 2 0 288.395 1.438 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001266182602 944739452 /nfs/dbraw/zinc/73/94/52/944739452.db2.gz LZSVQBQNQGJKMI-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC001262571284 946722655 /nfs/dbraw/zinc/72/26/55/946722655.db2.gz QIIWPPQQNKWAMS-ZDUSSCGKSA-N 2 0 280.416 1.016 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001331936491 947607598 /nfs/dbraw/zinc/60/75/98/947607598.db2.gz CCNJOWNMLWXWAK-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C ZINC001279022782 948610350 /nfs/dbraw/zinc/61/03/50/948610350.db2.gz YCMYDSXVTNBZPT-HNNXBMFYSA-N 2 0 295.471 1.862 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001279038194 948635176 /nfs/dbraw/zinc/63/51/76/948635176.db2.gz FUBKXYNHSFCDCC-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001479969039 971517118 /nfs/dbraw/zinc/51/71/18/971517118.db2.gz RRYJQFZHGBWBKA-AWEZNQCLSA-N 2 0 277.412 1.239 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001569058487 1169622213 /nfs/dbraw/zinc/62/22/13/1169622213.db2.gz GRVUNCIWSOMEGI-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001480660258 971828264 /nfs/dbraw/zinc/82/82/64/971828264.db2.gz CZMTUWGXTPRROS-XHSDSOJGSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001325458221 953912784 /nfs/dbraw/zinc/91/27/84/953912784.db2.gz VHRZOBBASWCVET-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001325898346 954129276 /nfs/dbraw/zinc/12/92/76/954129276.db2.gz LNULZRGIFUMVEJ-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC1 ZINC001326913226 954614529 /nfs/dbraw/zinc/61/45/29/954614529.db2.gz ILDLXZJHWRPHCH-CYBMUJFWSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001491751331 955404537 /nfs/dbraw/zinc/40/45/37/955404537.db2.gz BONPSDVBUFNRGX-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001491765566 955409548 /nfs/dbraw/zinc/40/95/48/955409548.db2.gz BEGJPQWGURSOPJ-AWEZNQCLSA-N 2 0 277.412 1.239 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001492303462 955786016 /nfs/dbraw/zinc/78/60/16/955786016.db2.gz JSVBAJLZFMNZHC-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001493897181 972134647 /nfs/dbraw/zinc/13/46/47/972134647.db2.gz OSDUPAWYMXPWTM-MRXNPFEDSA-N 2 0 287.407 1.409 10 30 CDEERP C=CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001329765674 956104013 /nfs/dbraw/zinc/10/40/13/956104013.db2.gz QIUPHAZXYIWODZ-CVEARBPZSA-N 2 0 295.471 1.977 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001569246533 1169735267 /nfs/dbraw/zinc/73/52/67/1169735267.db2.gz FYIRRSMIHQUWMA-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001316809281 957030475 /nfs/dbraw/zinc/03/04/75/957030475.db2.gz BJPMJXCOOGHPBX-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001331529633 957122489 /nfs/dbraw/zinc/12/24/89/957122489.db2.gz LTCBLAPSUZXXGH-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001317014157 957203291 /nfs/dbraw/zinc/20/32/91/957203291.db2.gz BPBSPPPSQDYJLN-HUUCEWRRSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001569269850 1169741460 /nfs/dbraw/zinc/74/14/60/1169741460.db2.gz FWEPOFJDHMSBPE-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317081426 957256713 /nfs/dbraw/zinc/25/67/13/957256713.db2.gz PIZQKTCDDMWCIE-JYJNAYRXSA-N 2 0 293.455 1.920 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001317159212 957311937 /nfs/dbraw/zinc/31/19/37/957311937.db2.gz YILMETNTKKWZOE-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001317196350 957336142 /nfs/dbraw/zinc/33/61/42/957336142.db2.gz AIWCMDOYSAYKJA-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317360651 957437123 /nfs/dbraw/zinc/43/71/23/957437123.db2.gz QUBSXYLVMCDGRX-HUUCEWRRSA-N 2 0 289.423 1.123 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001317403881 957455632 /nfs/dbraw/zinc/45/56/32/957455632.db2.gz HKCMQEVWEQBPGG-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001332197610 957474982 /nfs/dbraw/zinc/47/49/82/957474982.db2.gz DHLUKRFWFDNUNJ-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001317840265 957689452 /nfs/dbraw/zinc/68/94/52/957689452.db2.gz PGTRDPRHPKTPKT-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001317840264 957690662 /nfs/dbraw/zinc/69/06/62/957690662.db2.gz PGTRDPRHPKTPKT-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317855968 957698091 /nfs/dbraw/zinc/69/80/91/957698091.db2.gz ZPMARSSHYSZURB-CABCVRRESA-N 2 0 281.444 1.683 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)CC1CC[NH+](C)CC1 ZINC001318580406 958181005 /nfs/dbraw/zinc/18/10/05/958181005.db2.gz CTRNJGXLCMKNQJ-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+]C[C@@](C)(NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001318714744 958244597 /nfs/dbraw/zinc/24/45/97/958244597.db2.gz SADUOXYWIQRIRH-WMLDXEAASA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001319389710 958528594 /nfs/dbraw/zinc/52/85/94/958528594.db2.gz PYKJWNBYGJAVQM-UHFFFAOYSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001368108603 958641232 /nfs/dbraw/zinc/64/12/32/958641232.db2.gz QKFYBJCPKBXERK-OCCSQVGLSA-N 2 0 299.846 1.661 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001319916970 958786717 /nfs/dbraw/zinc/78/67/17/958786717.db2.gz IXHYUYBXALRVEH-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001319968702 958821247 /nfs/dbraw/zinc/82/12/47/958821247.db2.gz PTARHKVZMDTBSD-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001368449886 958857756 /nfs/dbraw/zinc/85/77/56/958857756.db2.gz IBBYYVGTSJIJIR-CQSZACIVSA-N 2 0 299.846 1.805 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320414740 959156099 /nfs/dbraw/zinc/15/60/99/959156099.db2.gz LBQTZVMURUQXNM-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001495210825 972437574 /nfs/dbraw/zinc/43/75/74/972437574.db2.gz SPCWNWWADROZNT-UHFFFAOYSA-N 2 0 279.428 1.677 10 30 CDEERP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001322305601 960177387 /nfs/dbraw/zinc/17/73/87/960177387.db2.gz FPAULZLEQMLUNM-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001322649293 960287346 /nfs/dbraw/zinc/28/73/46/960287346.db2.gz UDUHPJOATWQNNF-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001324088157 961158568 /nfs/dbraw/zinc/15/85/68/961158568.db2.gz KWCKHLPCXFRKLK-HUUCEWRRSA-N 2 0 289.423 1.075 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC001342556273 963763965 /nfs/dbraw/zinc/76/39/65/963763965.db2.gz RRPIBPZVSATWFD-DBIOUOCHSA-N 2 0 259.781 1.054 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001344652731 964391546 /nfs/dbraw/zinc/39/15/46/964391546.db2.gz QFUXYXIGBZPGHE-JHJVBQTASA-N 2 0 253.390 1.032 10 30 CDEERP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001346136992 964949161 /nfs/dbraw/zinc/94/91/61/964949161.db2.gz SBUVYCXGQOXYKQ-IKGGRYGDSA-N 2 0 295.471 1.319 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001479962482 966346474 /nfs/dbraw/zinc/34/64/74/966346474.db2.gz VVXDYQNQDIHDMN-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001446172148 966474886 /nfs/dbraw/zinc/47/48/86/966474886.db2.gz KZKBRYCLNZFKAO-QWHCGFSZSA-N 2 0 299.846 1.708 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001467728544 970096097 /nfs/dbraw/zinc/09/60/97/970096097.db2.gz KVKAGJYJDPBVFP-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C[C@@H](CC[NH+](C)C)C(=O)N(CCC#N)CCC[NH+](C)C ZINC001361681233 970415166 /nfs/dbraw/zinc/41/51/66/970415166.db2.gz HQJOBSNJYDXBPL-AWEZNQCLSA-N 2 0 282.432 1.268 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001496277799 972869536 /nfs/dbraw/zinc/86/95/36/972869536.db2.gz CNTTVRWHVYAYIN-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001496596721 972982447 /nfs/dbraw/zinc/98/24/47/972982447.db2.gz WBWRUOHKMUVQGV-KBPBESRZSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)CCC[NH+]1CCCC1)C(C)C ZINC001496639881 973004472 /nfs/dbraw/zinc/00/44/72/973004472.db2.gz UQRQTYYWOKBKAY-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001496916536 973143924 /nfs/dbraw/zinc/14/39/24/973143924.db2.gz ITEPMDPAPXYVOE-JKSUJKDBSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001498105439 973684388 /nfs/dbraw/zinc/68/43/88/973684388.db2.gz APNYCMVZUOKMJM-UONOGXRCSA-N 2 0 269.433 1.633 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001498314848 973824622 /nfs/dbraw/zinc/82/46/22/973824622.db2.gz WCVPMFSGMCGTMG-GFCCVEGCSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001498484355 973944045 /nfs/dbraw/zinc/94/40/45/973944045.db2.gz JBKZYIOZYQJALA-CABCVRRESA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001498549855 973980819 /nfs/dbraw/zinc/98/08/19/973980819.db2.gz KIYHWVZHYQIGDN-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001501618485 974608462 /nfs/dbraw/zinc/60/84/62/974608462.db2.gz LMDNGVZLRWGMJZ-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001502547781 974749447 /nfs/dbraw/zinc/74/94/47/974749447.db2.gz FAXIAFCHILXHGA-KRWDZBQOSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001505693867 974966829 /nfs/dbraw/zinc/96/68/29/974966829.db2.gz GMKZADXTJYWBMS-KBPBESRZSA-N 2 0 281.444 1.470 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001506667261 975201398 /nfs/dbraw/zinc/20/13/98/975201398.db2.gz RBKYCVGUZHRZCL-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001506906983 975254935 /nfs/dbraw/zinc/25/49/35/975254935.db2.gz NPAHNWXSBGESGP-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001507355120 975428546 /nfs/dbraw/zinc/42/85/46/975428546.db2.gz KOGBTEJFLMIDRA-HLLBOEOZSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH+]1CC=C(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001508227113 975645577 /nfs/dbraw/zinc/64/55/77/975645577.db2.gz HMVGZMUUEXPSQA-HNNXBMFYSA-N 2 0 277.412 1.263 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001390718713 976453870 /nfs/dbraw/zinc/45/38/70/976453870.db2.gz YWSQBBSUMXITAA-CHWSQXEVSA-N 2 0 287.835 1.565 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001676695782 1174257067 /nfs/dbraw/zinc/25/70/67/1174257067.db2.gz ZGYWQDBNRCIVBY-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001570376950 1170146424 /nfs/dbraw/zinc/14/64/24/1170146424.db2.gz NTBMUGRDERHMJI-UHFFFAOYSA-N 2 0 289.423 1.219 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001571124966 1170337421 /nfs/dbraw/zinc/33/74/21/1170337421.db2.gz DQNCWPJMXLNIQQ-HDJSIYSDSA-N 2 0 279.428 1.531 10 30 CDEERP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)CC1(C#N)CC1 ZINC000599300071 343999016 /nfs/dbraw/zinc/99/90/16/343999016.db2.gz MGOSJEXGNRECJE-CABCVRRESA-N 2 0 279.428 1.847 10 30 CDEERP N#Cc1cnccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000592494257 342696763 /nfs/dbraw/zinc/69/67/63/342696763.db2.gz OIEKELLMSPEWGH-KGLIPLIRSA-N 2 0 270.380 1.775 10 30 CDEERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CCCCC#N)C[C@@H]1C ZINC000594440096 342906957 /nfs/dbraw/zinc/90/69/57/342906957.db2.gz ZKSLXUYXQKWTSU-SOUVJXGZSA-N 2 0 294.443 1.729 10 30 CDEERP CC(C)(C#N)CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595868551 343176302 /nfs/dbraw/zinc/17/63/02/343176302.db2.gz PUMRJOVWVOFONK-HNNXBMFYSA-N 2 0 279.428 1.847 10 30 CDEERP C=CCSCC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000075122175 367339215 /nfs/dbraw/zinc/33/92/15/367339215.db2.gz ABEMKDMQPZIYRV-UHFFFAOYSA-N 2 0 299.484 1.390 10 30 CDEERP C=CCN1CC[C@H](N2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1=O ZINC000420381181 376344278 /nfs/dbraw/zinc/34/42/78/376344278.db2.gz CJKPURPCJVUJBQ-KKUMJFAQSA-N 2 0 277.412 1.237 10 30 CDEERP C=CCCn1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)nn1 ZINC000655939592 412953714 /nfs/dbraw/zinc/95/37/14/412953714.db2.gz QOJYSXPFVYDVNT-CYBMUJFWSA-N 2 0 263.389 1.415 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001663014560 1172628359 /nfs/dbraw/zinc/62/83/59/1172628359.db2.gz YVXRXDCMGORFCK-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC([NH2+]CC3CC3)CC2)CCC[NH2+]1 ZINC000662420964 412996135 /nfs/dbraw/zinc/99/61/35/412996135.db2.gz FHBIKJRKLHHQLP-KRWDZBQOSA-N 2 0 291.439 1.675 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662680157 413299890 /nfs/dbraw/zinc/29/98/90/413299890.db2.gz GLRYBMAETVXHGV-ZBFHGGJFSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCC[NH2+]1 ZINC000662719623 413378726 /nfs/dbraw/zinc/37/87/26/413378726.db2.gz HPMVEIGCDXPBNS-ZBFHGGJFSA-N 2 0 277.412 1.285 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000662729793 413391854 /nfs/dbraw/zinc/39/18/54/413391854.db2.gz XNKISAWNGCNFPD-DOTOQJQBSA-N 2 0 293.455 1.779 10 30 CDEERP C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000043583120 175070537 /nfs/dbraw/zinc/07/05/37/175070537.db2.gz DLNJJIOKXPLWSH-LBPRGKRZSA-N 2 0 291.370 1.206 10 30 CDEERP [NH3+]CC#Cc1csc(C[N@@H+]2CCCC[C@H]2CO)c1 ZINC000043689008 175095572 /nfs/dbraw/zinc/09/55/72/175095572.db2.gz CVCVSGBMUCGMLO-ZDUSSCGKSA-N 2 0 264.394 1.405 10 30 CDEERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(C#CC[NH3+])s1 ZINC000071192981 176074693 /nfs/dbraw/zinc/07/46/93/176074693.db2.gz YTQLIZKFZGZWSW-LBPRGKRZSA-N 2 0 291.420 1.082 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001667492799 1173274911 /nfs/dbraw/zinc/27/49/11/1173274911.db2.gz DDNBDPQPFBZBPV-HUUCEWRRSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001668324440 1173395873 /nfs/dbraw/zinc/39/58/73/1173395873.db2.gz BEVBYQAXABEDGA-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001669091233 1173502478 /nfs/dbraw/zinc/50/24/78/1173502478.db2.gz HTGIOTJIAGISTO-WAYWQWQTSA-N 2 0 287.407 1.810 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001672335183 1173767468 /nfs/dbraw/zinc/76/74/68/1173767468.db2.gz VLJFXNSXVKVELM-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001673898392 1173894918 /nfs/dbraw/zinc/89/49/18/1173894918.db2.gz POVTUOCQZJAONB-KGLIPLIRSA-N 2 0 279.428 1.341 10 30 CDEERP N#CCCOCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000338914378 327007448 /nfs/dbraw/zinc/00/74/48/327007448.db2.gz XUNNGYYCNXDLQS-UHFFFAOYSA-N 2 0 265.401 1.724 10 30 CDEERP C[NH+]=C(NC1CCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000262788395 330031500 /nfs/dbraw/zinc/03/15/00/330031500.db2.gz NFAVXPAQDOAOFS-UHFFFAOYSA-N 2 0 264.417 1.578 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001725509659 1159247170 /nfs/dbraw/zinc/24/71/70/1159247170.db2.gz NNMPPJMMEUAFPW-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001731809934 1159345570 /nfs/dbraw/zinc/34/55/70/1159345570.db2.gz WZXIBQKNWHQZJN-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001267994580 1159640259 /nfs/dbraw/zinc/64/02/59/1159640259.db2.gz SILXYYUQFNVNJR-HOTGVXAUSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482337232 1160158249 /nfs/dbraw/zinc/15/82/49/1160158249.db2.gz OLWPGUYORJTCEA-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[C@H](C)NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665758535 482443478 /nfs/dbraw/zinc/44/34/78/482443478.db2.gz IUHRWRPWSRZGIN-KBPBESRZSA-N 2 0 284.448 1.522 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001482664184 1160586200 /nfs/dbraw/zinc/58/62/00/1160586200.db2.gz SRKBTJJFLGRCDL-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH+]1CC=C(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001677621742 1174378200 /nfs/dbraw/zinc/37/82/00/1174378200.db2.gz WQSYFVUTMJFIBN-INIZCTEOSA-N 2 0 291.439 1.653 10 30 CDEERP C=C(C)CC[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001714561592 1179216726 /nfs/dbraw/zinc/21/67/26/1179216726.db2.gz TXIRUCJAYKJZNX-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001689821056 1175274187 /nfs/dbraw/zinc/27/41/87/1175274187.db2.gz MPZIEULEWOIBEX-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001689905969 1175302545 /nfs/dbraw/zinc/30/25/45/1175302545.db2.gz QUOCZWNIGYTQOS-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001690101829 1175376642 /nfs/dbraw/zinc/37/66/42/1175376642.db2.gz SEYYVBGHKAPWEV-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000900208538 622803622 /nfs/dbraw/zinc/80/36/22/622803622.db2.gz LBJIFRPDJQZTGP-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000900289527 622856685 /nfs/dbraw/zinc/85/66/85/622856685.db2.gz UBOUCIFPPXXMTA-CQSZACIVSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000900628421 623313818 /nfs/dbraw/zinc/31/38/18/623313818.db2.gz YYSCIBPEHYOWJU-CQSZACIVSA-N 2 0 265.401 1.095 10 30 CDEERP N#CC1CCC(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000903452219 626000928 /nfs/dbraw/zinc/00/09/28/626000928.db2.gz JINUDMDWVUPCRR-UYSNPLJNSA-N 2 0 276.428 1.296 10 30 CDEERP C=CCN1CCC([NH2+]C[C@](O)(CC)C(F)(F)F)CC1 ZINC000905093845 626635412 /nfs/dbraw/zinc/63/54/12/626635412.db2.gz CLWYJWVQIMDCHB-GFCCVEGCSA-N 2 0 280.334 1.930 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1[C@@H](CC[NH+](C)C)CCC[C@@H]1C ZINC000912650015 630127360 /nfs/dbraw/zinc/12/73/60/630127360.db2.gz HBYCVAXYCOITHK-LSDHHAIUSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000913759227 630745615 /nfs/dbraw/zinc/74/56/15/630745615.db2.gz KKLPPAGKARRRGT-UONOGXRCSA-N 2 0 265.401 1.047 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691246838 1158972668 /nfs/dbraw/zinc/97/26/68/1158972668.db2.gz AXDJUSXLKSLYTO-LSDHHAIUSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691410653 1159061666 /nfs/dbraw/zinc/06/16/66/1159061666.db2.gz RLFLIRCFWGXQPM-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266766687 1158813873 /nfs/dbraw/zinc/81/38/73/1158813873.db2.gz IPZKEMAKGAZLSG-CVEARBPZSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876958594 1165948287 /nfs/dbraw/zinc/94/82/87/1165948287.db2.gz IDLJLOBSLINPEG-GHMZBOCLSA-N 2 0 273.808 1.445 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001691734625 1166821284 /nfs/dbraw/zinc/82/12/84/1166821284.db2.gz MWHBCFABSLRNAZ-GASCZTMLSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001567709444 1168930666 /nfs/dbraw/zinc/93/06/66/1168930666.db2.gz ORJLEMSZXOCIHX-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001649465030 1169267767 /nfs/dbraw/zinc/26/77/67/1169267767.db2.gz LUAXHLCMXXAWCN-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001568858147 1169522614 /nfs/dbraw/zinc/52/26/14/1169522614.db2.gz IQPKBPDQQWBRJL-LFAOLKIESA-N 2 0 277.412 1.146 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001568969948 1169568414 /nfs/dbraw/zinc/56/84/14/1169568414.db2.gz RFTAGBRVXWPSFY-ZPIQOJFGSA-N 2 0 279.428 1.699 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001569305955 1169757664 /nfs/dbraw/zinc/75/76/64/1169757664.db2.gz DPPBBVNTTVKLML-HZPDHXFCSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001569724059 1169976223 /nfs/dbraw/zinc/97/62/23/1169976223.db2.gz OVIGWEDJCIQRTM-QGZVFWFLSA-N 2 0 293.455 1.570 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001570182063 1170105497 /nfs/dbraw/zinc/10/54/97/1170105497.db2.gz WABAVKIMHYSTPC-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001570532673 1170181382 /nfs/dbraw/zinc/18/13/82/1170181382.db2.gz LDAIWCIORWFPGT-HNNXBMFYSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001570851505 1170300556 /nfs/dbraw/zinc/30/05/56/1170300556.db2.gz CGILZXPIRJQTLB-KGLIPLIRSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001571463889 1170439325 /nfs/dbraw/zinc/43/93/25/1170439325.db2.gz CZUMHIQNOGEKCI-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001665641650 1173030269 /nfs/dbraw/zinc/03/02/69/1173030269.db2.gz FEKUOFSVYGENQE-CABCVRRESA-N 2 0 281.444 1.681 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001666546595 1173151132 /nfs/dbraw/zinc/15/11/32/1173151132.db2.gz KSYPZGWACKDBNI-ZFWWWQNUSA-N 2 0 279.428 1.246 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001672287693 1173763447 /nfs/dbraw/zinc/76/34/47/1173763447.db2.gz PNUOYHIEUZNJRI-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001676813611 1174277547 /nfs/dbraw/zinc/27/75/47/1174277547.db2.gz BAFXJEYANWIIMD-LZWOXQAQSA-N 2 0 277.412 1.073 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001690172122 1175394228 /nfs/dbraw/zinc/39/42/28/1175394228.db2.gz YFKUJCSJSOJQFO-OAHLLOKOSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001690584150 1175512381 /nfs/dbraw/zinc/51/23/81/1175512381.db2.gz GOFSOWLOLHDYNW-UONOGXRCSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001692323180 1175736448 /nfs/dbraw/zinc/73/64/48/1175736448.db2.gz CYQCQZUGVUFQKI-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001698578715 1175855274 /nfs/dbraw/zinc/85/52/74/1175855274.db2.gz VCLUPLXOGZQIIZ-CYBMUJFWSA-N 2 0 253.390 1.045 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001698601582 1175868039 /nfs/dbraw/zinc/86/80/39/1175868039.db2.gz RHINXNJHUBIHJR-CABCVRRESA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001699113591 1176099563 /nfs/dbraw/zinc/09/95/63/1176099563.db2.gz SFNOLWGDYSQDMW-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001700476042 1176966391 /nfs/dbraw/zinc/96/63/91/1176966391.db2.gz HTDHHTPQXQEHNU-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001700887622 1177180386 /nfs/dbraw/zinc/18/03/86/1177180386.db2.gz JXDAGXNSJNGJDA-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[N@H+](CC)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001713028018 1178314246 /nfs/dbraw/zinc/31/42/46/1178314246.db2.gz QAJTYYQOPOWUSX-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001713031370 1178318241 /nfs/dbraw/zinc/31/82/41/1178318241.db2.gz QHTVDBXNNFKDPJ-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001713086488 1178357680 /nfs/dbraw/zinc/35/76/80/1178357680.db2.gz RRACXMLGTXBBSK-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001713105213 1178368399 /nfs/dbraw/zinc/36/83/99/1178368399.db2.gz PSXAIUBBPROJTB-GJZGRUSLSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001713181943 1178415203 /nfs/dbraw/zinc/41/52/03/1178415203.db2.gz LHWWMYATULIMMT-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713208149 1178433169 /nfs/dbraw/zinc/43/31/69/1178433169.db2.gz CDQQNMIECUMOPY-XHSDSOJGSA-N 2 0 291.439 1.367 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001713245871 1178451626 /nfs/dbraw/zinc/45/16/26/1178451626.db2.gz JNGPQMGRUYZLKB-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001713415566 1178547264 /nfs/dbraw/zinc/54/72/64/1178547264.db2.gz CQYQTXQROSBUMS-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001713530685 1178629859 /nfs/dbraw/zinc/62/98/59/1178629859.db2.gz KNPOZRYRKYYWMR-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001714050942 1178947326 /nfs/dbraw/zinc/94/73/26/1178947326.db2.gz XFHAZMYPWCQRMQ-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001714106426 1178975642 /nfs/dbraw/zinc/97/56/42/1178975642.db2.gz LZAGKPUEWOEEOZ-BBRMVZONSA-N 2 0 299.434 1.869 10 30 CDEERP C#CC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001714108476 1178977676 /nfs/dbraw/zinc/97/76/76/1178977676.db2.gz PTSOPXCJOQTCNM-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714237056 1179037487 /nfs/dbraw/zinc/03/74/87/1179037487.db2.gz VKSSKIBSAFHARV-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001714278871 1179062411 /nfs/dbraw/zinc/06/24/11/1179062411.db2.gz PJJQXOWXQZTGCH-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001714667123 1179312864 /nfs/dbraw/zinc/31/28/64/1179312864.db2.gz WMBOPBVNHNUXOI-UHFFFAOYSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001714947970 1179471720 /nfs/dbraw/zinc/47/17/20/1179471720.db2.gz OROHDBLPFJLLOE-AWEZNQCLSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001715059943 1179534870 /nfs/dbraw/zinc/53/48/70/1179534870.db2.gz LNEMPSUCZFHIAO-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001715099663 1179551402 /nfs/dbraw/zinc/55/14/02/1179551402.db2.gz ADSRIINYIMZAKA-UHFFFAOYSA-N 2 0 289.423 1.124 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001715188732 1179573327 /nfs/dbraw/zinc/57/33/27/1179573327.db2.gz BLJNMCWQBLSWMW-WKILWMFISA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001715544069 1179710745 /nfs/dbraw/zinc/71/07/45/1179710745.db2.gz IXFQCCHSUGPNSD-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001716050831 1180021559 /nfs/dbraw/zinc/02/15/59/1180021559.db2.gz KAOZGVYALJLUTI-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001716154213 1180075356 /nfs/dbraw/zinc/07/53/56/1180075356.db2.gz VQKWPEZPJLZFJU-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001716179692 1180085203 /nfs/dbraw/zinc/08/52/03/1180085203.db2.gz ZBSZXXKEIBNXJJ-HZPDHXFCSA-N 2 0 293.455 1.757 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001716496631 1180252584 /nfs/dbraw/zinc/25/25/84/1180252584.db2.gz ZMMNFJTZQHJJKH-AWEZNQCLSA-N 2 0 283.460 1.977 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001716522181 1180264969 /nfs/dbraw/zinc/26/49/69/1180264969.db2.gz MYQUKLUPECMCBQ-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001716520326 1180265011 /nfs/dbraw/zinc/26/50/11/1180265011.db2.gz KUVNNLMHZIBHIO-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001716974204 1180486595 /nfs/dbraw/zinc/48/65/95/1180486595.db2.gz XGEAEKZMTJISEW-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001717010395 1180501763 /nfs/dbraw/zinc/50/17/63/1180501763.db2.gz BGAKXLOIHQPPNY-QLFBSQMISA-N 2 0 297.418 1.243 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001717443128 1180674800 /nfs/dbraw/zinc/67/48/00/1180674800.db2.gz TXKGKIDHDWHCER-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001717445057 1180676055 /nfs/dbraw/zinc/67/60/55/1180676055.db2.gz LKDSARXASNDSKQ-UYSNPLJNSA-N 2 0 291.439 1.463 10 30 CDEERP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001717557670 1180738654 /nfs/dbraw/zinc/73/86/54/1180738654.db2.gz XXDCRKBVVAKAPO-UKRRQHHQSA-N 2 0 279.428 1.032 10 30 CDEERP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001717588070 1180750227 /nfs/dbraw/zinc/75/02/27/1180750227.db2.gz SBRXSNCMNKPRPE-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[N@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001717705375 1180796661 /nfs/dbraw/zinc/79/66/61/1180796661.db2.gz MKGLVJHEEARRMW-UHFFFAOYSA-N 2 0 289.423 1.028 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001717739751 1180818431 /nfs/dbraw/zinc/81/84/31/1180818431.db2.gz ZTCVZMFNQDKWDR-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001717741489 1180820876 /nfs/dbraw/zinc/82/08/76/1180820876.db2.gz SITXALBVEWZONC-AWEZNQCLSA-N 2 0 283.460 1.977 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cncn2C)C1 ZINC001717825334 1180882545 /nfs/dbraw/zinc/88/25/45/1180882545.db2.gz FDJCMEZHPISOGN-KGLIPLIRSA-N 2 0 290.411 1.508 10 30 CDEERP CC#CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001717861602 1180897180 /nfs/dbraw/zinc/89/71/80/1180897180.db2.gz YSLBOQXVCIKQLV-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001724296992 1181660781 /nfs/dbraw/zinc/66/07/81/1181660781.db2.gz CRPLVWIYJXDFRK-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001725072338 1181845400 /nfs/dbraw/zinc/84/54/00/1181845400.db2.gz IIMVSUKHTJFVHT-SHARSMKWSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001725242508 1181935174 /nfs/dbraw/zinc/93/51/74/1181935174.db2.gz ONKATWGNGPXASK-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001731362973 1182336237 /nfs/dbraw/zinc/33/62/37/1182336237.db2.gz LTBFMADTCDLFGH-OAHLLOKOSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001731804443 1182596103 /nfs/dbraw/zinc/59/61/03/1182596103.db2.gz LAZUNGFXYSKLBY-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001732057422 1182742493 /nfs/dbraw/zinc/74/24/93/1182742493.db2.gz NFCPQTVXVCEDFD-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001732319019 1182904227 /nfs/dbraw/zinc/90/42/27/1182904227.db2.gz FNTWKIOJCLMBJT-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732854100 1183160206 /nfs/dbraw/zinc/16/02/06/1183160206.db2.gz WKVNQAGWVYILTR-MEWZEZIVSA-N 2 0 299.846 1.731 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001733341908 1183403603 /nfs/dbraw/zinc/40/36/03/1183403603.db2.gz KZYNBKDRCICJJM-HRCADAONSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001733446275 1183435434 /nfs/dbraw/zinc/43/54/34/1183435434.db2.gz UDBQMZJGSUOCQG-NVXWUHKLSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001733557272 1183466025 /nfs/dbraw/zinc/46/60/25/1183466025.db2.gz POMFOWZLLSXQQB-CABCVRRESA-N 2 0 279.428 1.036 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001733869525 1183554569 /nfs/dbraw/zinc/55/45/69/1183554569.db2.gz LQLLADTVJPAGIN-UHFFFAOYSA-N 2 0 291.439 1.466 10 30 CDEERP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001734146145 1183674577 /nfs/dbraw/zinc/67/45/77/1183674577.db2.gz OADJIZJLMQRGSG-CQSZACIVSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000876771545 730606564 /nfs/dbraw/zinc/60/65/64/730606564.db2.gz UELZZJJUSCNCCX-OLZOCXBDSA-N 2 0 285.819 1.401 10 30 CDEERP C[NH+](C)CC(C)(C)CNC(=[NH2+])NCCc1cccs1 ZINC000303707509 730889345 /nfs/dbraw/zinc/88/93/45/730889345.db2.gz MMZGLGDXFSHUDX-UHFFFAOYSA-N 2 0 282.457 1.783 10 30 CDEERP N#Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000872238360 730943408 /nfs/dbraw/zinc/94/34/08/730943408.db2.gz GMAZVNTUXYRXEJ-DLBZAZTESA-N 2 0 285.391 1.072 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000876787848 730996823 /nfs/dbraw/zinc/99/68/23/730996823.db2.gz WUVRMRBFOZPCOR-AVGNSLFASA-N 2 0 285.819 1.447 10 30 CDEERP N#Cc1ccccc1C[NH+]1CCC([C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC000169788994 731048844 /nfs/dbraw/zinc/04/88/44/731048844.db2.gz VVDDAMXSMZGYOS-ROUUACIJSA-N 2 0 299.418 1.598 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+](CC)C(C)C ZINC000876750903 731381037 /nfs/dbraw/zinc/38/10/37/731381037.db2.gz YWNGOMPIVVCPGA-NSHDSACASA-N 2 0 261.797 1.303 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000876728264 731447827 /nfs/dbraw/zinc/44/78/27/731447827.db2.gz ZKBZERYVXJKQSH-CYBMUJFWSA-N 2 0 285.819 1.447 10 30 CDEERP Cc1ccc(NC(=O)C#CC2CC[NH2+]CC2)c(C[NH+](C)C)c1 ZINC000852868797 732160801 /nfs/dbraw/zinc/16/08/01/732160801.db2.gz OGGSTKJRKLLHDH-UHFFFAOYSA-N 2 0 299.418 1.998 10 30 CDEERP C[C@]12C[NH2+]C[C@H]1CN(C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000703566839 732285642 /nfs/dbraw/zinc/28/56/42/732285642.db2.gz OWKBKWBPQZDLRF-HRCADAONSA-N 2 0 271.364 1.133 10 30 CDEERP C#CCCCCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000878317752 732384045 /nfs/dbraw/zinc/38/40/45/732384045.db2.gz UYBFNUPHIDIZSX-UHFFFAOYSA-N 2 0 265.445 1.749 10 30 CDEERP C=CC[C@@H](C)[NH+]1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000880254963 732851210 /nfs/dbraw/zinc/85/12/10/732851210.db2.gz UUQTYQDJOUQBLU-CQSZACIVSA-N 2 0 279.428 1.757 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000876535714 733010534 /nfs/dbraw/zinc/01/05/34/733010534.db2.gz JMFYJYHMWWXVBG-JQWIXIFHSA-N 2 0 261.797 1.336 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CCC[NH2+]1 ZINC000877259151 733011496 /nfs/dbraw/zinc/01/14/96/733011496.db2.gz ZJKMQCOQIVCPFV-IRXDYDNUSA-N 2 0 293.455 1.908 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001567177767 1168607011 /nfs/dbraw/zinc/60/70/11/1168607011.db2.gz WUGMQCCLOQWLRQ-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001567219597 1168626949 /nfs/dbraw/zinc/62/69/49/1168626949.db2.gz GWEPMIMFYITFIZ-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266245501 893901994 /nfs/dbraw/zinc/90/19/94/893901994.db2.gz CAZCNGLHQGJMSL-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266347790 894486850 /nfs/dbraw/zinc/48/68/50/894486850.db2.gz RIAWUWZZLOIXAK-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C[C@@H](C)n1ccnc1)C1CC1 ZINC001266431111 894843250 /nfs/dbraw/zinc/84/32/50/894843250.db2.gz KHFOIZJGAPHGDM-UKRRQHHQSA-N 2 0 288.395 1.342 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001266604037 895515605 /nfs/dbraw/zinc/51/56/05/895515605.db2.gz NROXNKUCWMSCQW-BZUAXINKSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001266724028 895921683 /nfs/dbraw/zinc/92/16/83/895921683.db2.gz ALLDOFHEGRHQBY-UHFFFAOYSA-N 2 0 273.808 1.271 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001266816771 896111650 /nfs/dbraw/zinc/11/16/50/896111650.db2.gz JEWXQHVFHBTNHP-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266986863 896501876 /nfs/dbraw/zinc/50/18/76/896501876.db2.gz DHYAGNDNACMXLP-STQMWFEESA-N 2 0 255.406 1.243 10 30 CDEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267107824 896812163 /nfs/dbraw/zinc/81/21/63/896812163.db2.gz KABMKNLWCXTFPU-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001267473715 898096998 /nfs/dbraw/zinc/09/69/98/898096998.db2.gz NRATXCLDTCHREX-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267557483 898354168 /nfs/dbraw/zinc/35/41/68/898354168.db2.gz GBCWVAYKLOXGFI-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267595353 898646108 /nfs/dbraw/zinc/64/61/08/898646108.db2.gz HTBXZNBUHSBMQA-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001267681576 899262960 /nfs/dbraw/zinc/26/29/60/899262960.db2.gz BGRWOXGPELBFHJ-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267989085 900205524 /nfs/dbraw/zinc/20/55/24/900205524.db2.gz FPMXINSLGQWPRT-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481438741 900668519 /nfs/dbraw/zinc/66/85/19/900668519.db2.gz IDBBVXDEMWBDEW-OAHLLOKOSA-N 2 0 289.423 1.076 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001268099291 901281805 /nfs/dbraw/zinc/28/18/05/901281805.db2.gz LSPLRCQADWZRTN-CQSZACIVSA-N 2 0 287.407 1.432 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268576048 902629822 /nfs/dbraw/zinc/62/98/22/902629822.db2.gz TYDGWJOIUWPSDY-AAOUONPWSA-N 2 0 271.792 1.095 10 30 CDEERP C=CCCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268802243 903142086 /nfs/dbraw/zinc/14/20/86/903142086.db2.gz ONRBTKPNWQQDSC-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001270121207 904378022 /nfs/dbraw/zinc/37/80/22/904378022.db2.gz KYLTYWDFLLEXIM-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001270558314 904728328 /nfs/dbraw/zinc/72/83/28/904728328.db2.gz CJSDVOICHNTDKS-HNNXBMFYSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001270839365 905123676 /nfs/dbraw/zinc/12/36/76/905123676.db2.gz JYZBKXAXLWJYPF-INIZCTEOSA-N 2 0 279.428 1.487 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271609503 906547816 /nfs/dbraw/zinc/54/78/16/906547816.db2.gz PKYBZXHQGYLKII-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001482605983 907871933 /nfs/dbraw/zinc/87/19/33/907871933.db2.gz IZXCDHBKOYKEHB-CQSZACIVSA-N 2 0 269.433 1.683 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001482684645 908279324 /nfs/dbraw/zinc/27/93/24/908279324.db2.gz QBVADBGZEVNOFU-GJZGRUSLSA-N 2 0 289.423 1.123 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001482848086 908425614 /nfs/dbraw/zinc/42/56/14/908425614.db2.gz LFVPWCGGNGXJBW-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001568041081 1169125840 /nfs/dbraw/zinc/12/58/40/1169125840.db2.gz PHVFUYIMSYFLQM-RDJZCZTQSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001483352107 910955685 /nfs/dbraw/zinc/95/56/85/910955685.db2.gz WNZXBTHLLIBJPU-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001485258629 916725177 /nfs/dbraw/zinc/72/51/77/916725177.db2.gz QLIPVOWJBGXUMZ-UHFFFAOYSA-N 2 0 293.455 1.426 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001485428113 916975843 /nfs/dbraw/zinc/97/58/43/916975843.db2.gz IFYXTRUDYUBFHM-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C(C)(C)C ZINC001486399731 920963978 /nfs/dbraw/zinc/96/39/78/920963978.db2.gz WZENMEPBFHGVJF-HNNXBMFYSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001491251115 936883405 /nfs/dbraw/zinc/88/34/05/936883405.db2.gz FDVIDUUAELSZKS-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001489132659 926803729 /nfs/dbraw/zinc/80/37/29/926803729.db2.gz LARKTIHFOGBPIX-ZNMIVQPWSA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001493063234 927033856 /nfs/dbraw/zinc/03/38/56/927033856.db2.gz NPQPGMVEKGPNTO-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001279185220 931218411 /nfs/dbraw/zinc/21/84/11/931218411.db2.gz ZGWUGXBFOZFDCA-GJZGRUSLSA-N 2 0 291.439 1.342 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001275583765 931894265 /nfs/dbraw/zinc/89/42/65/931894265.db2.gz YPKKSKVBHYAPJN-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)CCC ZINC001275732247 931984113 /nfs/dbraw/zinc/98/41/13/931984113.db2.gz DIVLHIXREXZOCA-UHFFFAOYSA-N 2 0 281.444 1.426 10 30 CDEERP C=CCCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001494856217 932125472 /nfs/dbraw/zinc/12/54/72/932125472.db2.gz RTCASAOPSRDABI-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276625385 940451584 /nfs/dbraw/zinc/45/15/84/940451584.db2.gz WXDJEMIORWYWAU-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001280094096 942416347 /nfs/dbraw/zinc/41/63/47/942416347.db2.gz HJVINSIDOIBFSQ-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001281928082 942632463 /nfs/dbraw/zinc/63/24/63/942632463.db2.gz IXCQPEUHDYMRCU-HUUCEWRRSA-N 2 0 277.412 1.027 10 30 CDEERP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001281967574 942638239 /nfs/dbraw/zinc/63/82/39/942638239.db2.gz ITBXGGMNKIVNBI-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001282735821 942746887 /nfs/dbraw/zinc/74/68/87/942746887.db2.gz VDARMMWMFSPEMO-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001284067110 943066778 /nfs/dbraw/zinc/06/67/78/943066778.db2.gz KOGBTEJFLMIDRA-ZOBUZTSGSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001284096018 943078014 /nfs/dbraw/zinc/07/80/14/943078014.db2.gz KUGZAOPZDCTPSD-QLFBSQMISA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001284131023 943083853 /nfs/dbraw/zinc/08/38/53/943083853.db2.gz YKXUEJXSOIYGRR-HIFRSBDPSA-N 2 0 279.428 1.626 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001284795184 943260637 /nfs/dbraw/zinc/26/06/37/943260637.db2.gz QVEAWWCXBITIQL-UHFFFAOYSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001284818983 943262361 /nfs/dbraw/zinc/26/23/61/943262361.db2.gz PTFCTILFNKQIGL-UHFFFAOYSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCOCC[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001474642700 971025667 /nfs/dbraw/zinc/02/56/67/971025667.db2.gz QVXMWZYUWPWCAV-UHFFFAOYSA-N 2 0 282.428 1.812 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001263849387 944002644 /nfs/dbraw/zinc/00/26/44/944002644.db2.gz HORMVHLWEWYOSP-HZSPNIEDSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[N@H+](C)CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001265070109 944220886 /nfs/dbraw/zinc/22/08/86/944220886.db2.gz RHXJXRLXWFVJSH-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001266094697 944676736 /nfs/dbraw/zinc/67/67/36/944676736.db2.gz YMICSEUCOGRYGW-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001266116491 944690900 /nfs/dbraw/zinc/69/09/00/944690900.db2.gz KZKYXQQCYZKPCZ-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001479301770 971293797 /nfs/dbraw/zinc/29/37/97/971293797.db2.gz BESNLSWWXKCWRE-OWCLPIDISA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001479390638 971317260 /nfs/dbraw/zinc/31/72/60/971317260.db2.gz UYXNESMKXJCMAC-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001278443870 948140139 /nfs/dbraw/zinc/14/01/39/948140139.db2.gz JTFVVGPSIJPWIZ-HNNXBMFYSA-N 2 0 265.401 1.239 10 30 CDEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480061736 971558638 /nfs/dbraw/zinc/55/86/38/971558638.db2.gz LWTAFROJKNDPJG-HUUCEWRRSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001480208938 971628766 /nfs/dbraw/zinc/62/87/66/971628766.db2.gz KBPDJUGEYRVLOE-QLFBSQMISA-N 2 0 277.412 1.121 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001493083569 971941782 /nfs/dbraw/zinc/94/17/82/971941782.db2.gz JQJJRWIPVHEBAX-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001324867818 953613405 /nfs/dbraw/zinc/61/34/05/953613405.db2.gz FQRDJTRRLDQNIG-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH+](CCNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001493380112 972038177 /nfs/dbraw/zinc/03/81/77/972038177.db2.gz MYDPVTBWBKBPNT-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001327276671 954809556 /nfs/dbraw/zinc/80/95/56/954809556.db2.gz DSCKZQWZHUKLBB-JKSUJKDBSA-N 2 0 293.455 1.520 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001316664267 955178072 /nfs/dbraw/zinc/17/80/72/955178072.db2.gz NKCMLELBUSPDCA-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001493592079 972086008 /nfs/dbraw/zinc/08/60/08/972086008.db2.gz RVTQANULPXGOIC-UONOGXRCSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001491804836 955443751 /nfs/dbraw/zinc/44/37/51/955443751.db2.gz LFVRLKKXGWFQFI-QLFBSQMISA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001491894197 955494524 /nfs/dbraw/zinc/49/45/24/955494524.db2.gz NAFAMSCZQRAVLA-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001328869584 955526853 /nfs/dbraw/zinc/52/68/53/955526853.db2.gz SBWOTYYTVWMDQU-UYSNPLJNSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001329197911 955750537 /nfs/dbraw/zinc/75/05/37/955750537.db2.gz WRIMZUHNHCBBAN-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](CCF)C(C)C ZINC001493860912 972128567 /nfs/dbraw/zinc/12/85/67/972128567.db2.gz XCWRRXVVKGPVHX-HNNXBMFYSA-N 2 0 297.418 1.270 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001422259898 955900806 /nfs/dbraw/zinc/90/08/06/955900806.db2.gz HRFDWAXJVNXFQZ-CHWSQXEVSA-N 2 0 287.835 1.565 10 30 CDEERP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001329515612 955960449 /nfs/dbraw/zinc/96/04/49/955960449.db2.gz PADBFONJLBBIHJ-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001331320861 956965828 /nfs/dbraw/zinc/96/58/28/956965828.db2.gz WAIIDYPQBFVRSF-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001316758526 957000590 /nfs/dbraw/zinc/00/05/90/957000590.db2.gz FPBLYYMHWILQNA-CVEARBPZSA-N 2 0 291.439 1.132 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001316906441 957111082 /nfs/dbraw/zinc/11/10/82/957111082.db2.gz BKKMSKBQRJZGOT-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001316951411 957149554 /nfs/dbraw/zinc/14/95/54/957149554.db2.gz BLJSIIINLWSPJL-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001317024034 957208496 /nfs/dbraw/zinc/20/84/96/957208496.db2.gz CVGZZQXIFUITNN-LSDHHAIUSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001494599196 972265715 /nfs/dbraw/zinc/26/57/15/972265715.db2.gz RFLZYCIUSUDBAC-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001317435029 957468632 /nfs/dbraw/zinc/46/86/32/957468632.db2.gz PQVRXURAMRMCFS-HNNXBMFYSA-N 2 0 291.439 1.629 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001332300613 957509531 /nfs/dbraw/zinc/50/95/31/957509531.db2.gz GJGXDBNOANOBJA-GJZGRUSLSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CCCC)CC1 ZINC001317493381 957511429 /nfs/dbraw/zinc/51/14/29/957511429.db2.gz XPEWNYKPAGMROU-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317511765 957520118 /nfs/dbraw/zinc/52/01/18/957520118.db2.gz DAWKZHMGQGNCTM-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)CC[NH+]1CCCCC1)C(C)C ZINC001332740594 957703427 /nfs/dbraw/zinc/70/34/27/957703427.db2.gz NNIBIYRMLJDPCU-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001332837539 957875525 /nfs/dbraw/zinc/87/55/25/957875525.db2.gz LKRZSTMLOSACTC-KGLIPLIRSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001321057136 959564084 /nfs/dbraw/zinc/56/40/84/959564084.db2.gz NMGLFVWUSQRGMN-LLYBFZRZSA-N 2 0 279.428 1.697 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001321418749 959775634 /nfs/dbraw/zinc/77/56/34/959775634.db2.gz IMAVBWURRKUXRS-KIUWMYQTSA-N 2 0 277.412 1.146 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001335413173 959783888 /nfs/dbraw/zinc/78/38/88/959783888.db2.gz NIJGKTTXPBKFQA-KGLIPLIRSA-N 2 0 294.443 1.454 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001321662315 959894623 /nfs/dbraw/zinc/89/46/23/959894623.db2.gz GCQRRMNXBMUXDO-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001322542455 960252757 /nfs/dbraw/zinc/25/27/57/960252757.db2.gz CGCJCYGLOZAXLE-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001323970008 961078904 /nfs/dbraw/zinc/07/89/04/961078904.db2.gz MGOPCDYAUSRCJC-AWEZNQCLSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001324099003 961162401 /nfs/dbraw/zinc/16/24/01/961162401.db2.gz UUPSADUWNCOZAN-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)CC[NH+](C)C ZINC001420463359 962937049 /nfs/dbraw/zinc/93/70/49/962937049.db2.gz OLADUIVPQBMFDP-ZDUSSCGKSA-N 2 0 288.395 1.104 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)C[C@H]([NH3+])CC(C)C)CC1 ZINC001341605365 963479538 /nfs/dbraw/zinc/47/95/38/963479538.db2.gz NESAFSGRPOUNBG-CYBMUJFWSA-N 2 0 267.417 1.517 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)CCC[NH2+]1 ZINC001342738514 963813000 /nfs/dbraw/zinc/81/30/00/963813000.db2.gz MEONDTCTRZGJLF-VNHYZAJKSA-N 2 0 265.401 1.128 10 30 CDEERP C=CC[C@@]1(C(=O)N(C)CCC[NH+](C)C)CCC[NH2+]1 ZINC001342883760 963850182 /nfs/dbraw/zinc/85/01/82/963850182.db2.gz OAXWHBJUSDMSNQ-AWEZNQCLSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439781750 963858102 /nfs/dbraw/zinc/85/81/02/963858102.db2.gz CTUGBQPFMUQZSK-CHWSQXEVSA-N 2 0 285.819 1.271 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001455947789 968835746 /nfs/dbraw/zinc/83/57/46/968835746.db2.gz TYHCOMFAMKNAAH-HNNXBMFYSA-N 2 0 291.439 1.321 10 30 CDEERP CCNC(NC[C@@H]1CCCC[N@@H+]1C1CC1)=[NH+]CC ZINC000849023113 969410729 /nfs/dbraw/zinc/41/07/29/969410729.db2.gz MYVNKUSFVWXQHX-ZDUSSCGKSA-N 2 0 252.406 1.578 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497619747 973436381 /nfs/dbraw/zinc/43/63/81/973436381.db2.gz GOPCMCPMJCILDP-YVACAVLKSA-N 2 0 277.412 1.002 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001499944003 974342124 /nfs/dbraw/zinc/34/21/24/974342124.db2.gz KRJCDEBHFJRGRX-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001500003314 974351056 /nfs/dbraw/zinc/35/10/56/974351056.db2.gz MTFSIPIWTDYYAB-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376964194 974832173 /nfs/dbraw/zinc/83/21/73/974832173.db2.gz DCPCUBXMXHQAGX-CHWSQXEVSA-N 2 0 287.835 1.708 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001506063132 975104168 /nfs/dbraw/zinc/10/41/68/975104168.db2.gz LITGVVYVIPOVSK-AWEZNQCLSA-N 2 0 289.423 1.984 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001377715040 975118388 /nfs/dbraw/zinc/11/83/88/975118388.db2.gz UGURUXJXHCZFJN-RUXDESIVSA-N 2 0 299.846 1.708 10 30 CDEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507029665 975300090 /nfs/dbraw/zinc/30/00/90/975300090.db2.gz XNTRRQRFKNUIJU-GDBMZVCRSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001380293380 976334108 /nfs/dbraw/zinc/33/41/08/976334108.db2.gz XUUOBHNBCBRJMP-CYBMUJFWSA-N 2 0 285.819 1.415 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001399246282 976395502 /nfs/dbraw/zinc/39/55/02/976395502.db2.gz INECLZLWAIILMJ-STQMWFEESA-N 2 0 285.819 1.271 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001674495699 1173953970 /nfs/dbraw/zinc/95/39/70/1173953970.db2.gz MGIWDKHTUPZPFF-HNNXBMFYSA-N 2 0 277.412 1.028 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001676695755 1174256973 /nfs/dbraw/zinc/25/69/73/1174256973.db2.gz YRZDCLYXQJQUHX-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000651685812 398149275 /nfs/dbraw/zinc/14/92/75/398149275.db2.gz FPWDQGBXJLRDJK-QLFBSQMISA-N 2 0 252.402 1.778 10 30 CDEERP CC[NH+]1CCC(CCNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594438650 342906430 /nfs/dbraw/zinc/90/64/30/342906430.db2.gz PFKLJELXLLRXLI-OAHLLOKOSA-N 2 0 294.443 1.636 10 30 CDEERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440650 342907161 /nfs/dbraw/zinc/90/71/61/342907161.db2.gz HJQAUYWMZOKEMJ-KBPBESRZSA-N 2 0 280.416 1.198 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000594440948 342907457 /nfs/dbraw/zinc/90/74/57/342907457.db2.gz JSJQKKKWPMFPHQ-AWEZNQCLSA-N 2 0 280.416 1.390 10 30 CDEERP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000600719849 342244683 /nfs/dbraw/zinc/24/46/83/342244683.db2.gz KXNUBEIHLWUXTR-JSGCOSHPSA-N 2 0 263.385 1.115 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000595958737 343196160 /nfs/dbraw/zinc/19/61/60/343196160.db2.gz GYXAPQNJWJMQJB-RRFJBIMHSA-N 2 0 292.427 1.531 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000106340685 357239745 /nfs/dbraw/zinc/23/97/45/357239745.db2.gz HZVSZLZVEQIHJF-HNNXBMFYSA-N 2 0 294.443 1.372 10 30 CDEERP N#C[C@]1(N2CC[NH2+]CC2)CCCN(Cc2ccccc2)C1 ZINC000036904577 358618951 /nfs/dbraw/zinc/61/89/51/358618951.db2.gz AMYNHJLDTMFQGG-QGZVFWFLSA-N 2 0 284.407 1.450 10 30 CDEERP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600721977 358705687 /nfs/dbraw/zinc/70/56/87/358705687.db2.gz PCJBLCPUGCMICI-OAHLLOKOSA-N 2 0 279.428 1.751 10 30 CDEERP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1C#N ZINC000414945246 374221396 /nfs/dbraw/zinc/22/13/96/374221396.db2.gz RIANNNJXCMDOBT-RISCZKNCSA-N 2 0 259.353 1.654 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](C3CC3)CC2)CC1 ZINC000195410264 375998089 /nfs/dbraw/zinc/99/80/89/375998089.db2.gz SRJXIMNINMSTFC-UHFFFAOYSA-N 2 0 289.423 1.028 10 30 CDEERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000122743242 392019427 /nfs/dbraw/zinc/01/94/27/392019427.db2.gz MDHYJYCQZRILNP-UHFFFAOYSA-N 2 0 286.423 1.628 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001663684278 1172746626 /nfs/dbraw/zinc/74/66/26/1172746626.db2.gz VBBYNVRJPTWNQA-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001664391741 1172848452 /nfs/dbraw/zinc/84/84/52/1172848452.db2.gz QPKUVINBAFXZLF-UHFFFAOYSA-N 2 0 267.417 1.487 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662694944 413326326 /nfs/dbraw/zinc/32/63/26/413326326.db2.gz FAOVEBTXLQPOPD-YQQAZPJKSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[C@]1(C(=O)Nc2ccc(OCC[NH3+])cc2)CCC[NH2+]1 ZINC000662764635 413460554 /nfs/dbraw/zinc/46/05/54/413460554.db2.gz LPQQJZMCKAFUCO-MRXNPFEDSA-N 2 0 289.379 1.661 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001665642221 1173029925 /nfs/dbraw/zinc/02/99/25/1173029925.db2.gz OSCXMTFUZSZIKD-OAHLLOKOSA-N 2 0 279.428 1.580 10 30 CDEERP C[N@H+](CCCC[C@](C)(N)C#N)C[C@@H]1CC[NH+](C)C1 ZINC000071190775 176067944 /nfs/dbraw/zinc/06/79/44/176067944.db2.gz KHLNFPLHYQRKEZ-KBPBESRZSA-N 2 0 252.406 1.281 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[N@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662679664 424301021 /nfs/dbraw/zinc/30/10/21/424301021.db2.gz ATIZIHDANCNQBD-HOCLYGCPSA-N 2 0 279.428 1.675 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCCF)CC1 ZINC001667058937 1173227629 /nfs/dbraw/zinc/22/76/29/1173227629.db2.gz LOSBMWSAKZDHTN-AWEZNQCLSA-N 2 0 297.418 1.128 10 30 CDEERP C=CC[C@@]1(C(=O)NCC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662693072 424324968 /nfs/dbraw/zinc/32/49/68/424324968.db2.gz NUODYEBYXIQGHO-INIZCTEOSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000662710340 424356740 /nfs/dbraw/zinc/35/67/40/424356740.db2.gz GYSMGCLIEHGKHD-AWEZNQCLSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001667307274 1173251127 /nfs/dbraw/zinc/25/11/27/1173251127.db2.gz UAVYMJZCZXSACC-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001667664294 1173306667 /nfs/dbraw/zinc/30/66/67/1173306667.db2.gz NIEQPDPJTHSVDE-UHFFFAOYSA-N 2 0 267.417 1.439 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001668178981 1173378725 /nfs/dbraw/zinc/37/87/25/1173378725.db2.gz PXKJEQFBWYMDJW-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000566482066 316611724 /nfs/dbraw/zinc/61/17/24/316611724.db2.gz MGAFBPAWRLKLRQ-UONOGXRCSA-N 2 0 259.353 1.797 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001672208950 1173752537 /nfs/dbraw/zinc/75/25/37/1173752537.db2.gz JZBMPGSMZVKHLD-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672531405 1173781925 /nfs/dbraw/zinc/78/19/25/1173781925.db2.gz UQWSKVOLXQADNL-GJZGRUSLSA-N 2 0 277.412 1.027 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001725118171 1159123302 /nfs/dbraw/zinc/12/33/02/1159123302.db2.gz JSZQMVXIQLMSTK-UONOGXRCSA-N 2 0 281.444 1.776 10 30 CDEERP C[NH+]=C(NC1CCC1)NC1CC[NH+](C(C)C)CC1 ZINC000262461168 330014642 /nfs/dbraw/zinc/01/46/42/330014642.db2.gz VZOXWJWQPZGLIG-UHFFFAOYSA-N 2 0 252.406 1.577 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732366243 1159785894 /nfs/dbraw/zinc/78/58/94/1159785894.db2.gz VWLTTXKTTPSLBB-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268392511 1159923911 /nfs/dbraw/zinc/92/39/11/1159923911.db2.gz GTLBQEGOJVMVRS-IHRRRGAJSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001670846291 1160575784 /nfs/dbraw/zinc/57/57/84/1160575784.db2.gz SZVDLNYFDZBTIS-CQSZACIVSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001279156260 1160768723 /nfs/dbraw/zinc/76/87/23/1160768723.db2.gz NOQPCHVFUJANSB-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP CC[N@H+](Cc1cc(C#CC[NH3+])ccc1OC)C1CC1 ZINC000049608876 521286104 /nfs/dbraw/zinc/28/61/04/521286104.db2.gz JXSYDCQFHYPVCV-UHFFFAOYSA-N 2 0 258.365 1.990 10 30 CDEERP COc1ccc(C[N@H+](C)C[C@H]2CCCO2)cc1C#CC[NH3+] ZINC000049609680 524003684 /nfs/dbraw/zinc/00/36/84/524003684.db2.gz ZPIZRZXSJWIQQO-MRXNPFEDSA-N 2 0 288.391 1.616 10 30 CDEERP COc1ccc(C[N@@H+]2CCCC[C@@H]2CO)cc1C#CC[NH3+] ZINC000049609783 524026111 /nfs/dbraw/zinc/02/61/11/524026111.db2.gz NXAFKHWBAGNTIH-MRXNPFEDSA-N 2 0 288.391 1.352 10 30 CDEERP C[C@H](CC[NH+](C)C)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000049561920 524161790 /nfs/dbraw/zinc/16/17/90/524161790.db2.gz ROCHFPPVASWPHD-CYBMUJFWSA-N 2 0 273.380 1.067 10 30 CDEERP N#CCCCC[NH+]1CCN(c2cc[nH+]cc2N)CC1 ZINC000049578683 526445070 /nfs/dbraw/zinc/44/50/70/526445070.db2.gz UCGMBZSBOYCTBJ-UHFFFAOYSA-N 2 0 259.357 1.480 10 30 CDEERP [NH3+]CC#Cc1ccc(OCC[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000049608319 527151422 /nfs/dbraw/zinc/15/14/22/527151422.db2.gz XGWRTDPICNPRBZ-MRXNPFEDSA-N 2 0 288.391 1.080 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218425 613018403 /nfs/dbraw/zinc/01/84/03/613018403.db2.gz XMMOHERNOUZBQS-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941214909 613335024 /nfs/dbraw/zinc/33/50/24/613335024.db2.gz GLMMSPJVYVBTFF-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000900012442 622617760 /nfs/dbraw/zinc/61/77/60/622617760.db2.gz HLXKUIZBEKZOEY-UHFFFAOYSA-N 2 0 269.433 1.729 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000900916253 623652394 /nfs/dbraw/zinc/65/23/94/623652394.db2.gz XSINPYWEHIZPKU-INIZCTEOSA-N 2 0 293.455 1.685 10 30 CDEERP CCO[C@@H]1C[N@H+](Cc2c(C)cc(C#N)cc2C)C[C@H]1C[NH3+] ZINC000903461003 625996013 /nfs/dbraw/zinc/99/60/13/625996013.db2.gz LTCARGFANGMLGP-NVXWUHKLSA-N 2 0 287.407 1.971 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000907341963 627604289 /nfs/dbraw/zinc/60/42/89/627604289.db2.gz UERDCKAQWPGMML-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C[N@@H+]1CCC[C@@H]1CNC(NC[C@H]1CCCO1)=[NH+]C(C)(C)C ZINC000912509240 630049151 /nfs/dbraw/zinc/04/91/51/630049151.db2.gz YFUPLFKUQVANAF-ZIAGYGMSSA-N 2 0 296.459 1.593 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000917097834 632147946 /nfs/dbraw/zinc/14/79/46/632147946.db2.gz KLZQDGXJGISNCJ-UKRRQHHQSA-N 2 0 294.443 1.419 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000917136338 632160054 /nfs/dbraw/zinc/16/00/54/632160054.db2.gz AJTMCWSCRQZFAI-JSGCOSHPSA-N 2 0 280.416 1.029 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001691020447 1158535709 /nfs/dbraw/zinc/53/57/09/1158535709.db2.gz TYLDNBBXMCEQSS-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001670687091 1158691475 /nfs/dbraw/zinc/69/14/75/1158691475.db2.gz OVNLDMNTEBRDFF-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001666976243 1158761149 /nfs/dbraw/zinc/76/11/49/1158761149.db2.gz AAOFPUJPDXBRLA-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001724858486 1158836945 /nfs/dbraw/zinc/83/69/45/1158836945.db2.gz UXFJOCNFODNAIK-UHFFFAOYSA-N 2 0 293.455 1.520 10 30 CDEERP C=CCC[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001691083637 1158898094 /nfs/dbraw/zinc/89/80/94/1158898094.db2.gz YJVLYMYXDFDDFI-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001691150292 1158934252 /nfs/dbraw/zinc/93/42/52/1158934252.db2.gz HORMVHLWEWYOSP-MGPQQGTHSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCCC)CC1 ZINC001266993978 1159072221 /nfs/dbraw/zinc/07/22/21/1159072221.db2.gz HFRDWXOKQYASPL-CQSZACIVSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001699542551 1158454840 /nfs/dbraw/zinc/45/48/40/1158454840.db2.gz REIUEQJPYKOACD-UHFFFAOYSA-N 2 0 287.407 1.433 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001266741280 1158796875 /nfs/dbraw/zinc/79/68/75/1158796875.db2.gz PJXKAGVMEUVPIL-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268068005 1159774370 /nfs/dbraw/zinc/77/43/70/1159774370.db2.gz IFIBOZSPWGMMBK-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001618273108 1165627380 /nfs/dbraw/zinc/62/73/80/1165627380.db2.gz HONOFPJJFILVQA-QWHCGFSZSA-N 2 0 253.390 1.045 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000876879335 1165933625 /nfs/dbraw/zinc/93/36/25/1165933625.db2.gz QHKVUVXEKROVRX-WDEREUQCSA-N 2 0 259.781 1.009 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001568209259 1169179737 /nfs/dbraw/zinc/17/97/37/1169179737.db2.gz RYVJUZAEHZJSPE-GJZGRUSLSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001568245825 1169195699 /nfs/dbraw/zinc/19/56/99/1169195699.db2.gz KJRXROLCEKUQBW-UHFFFAOYSA-N 2 0 291.439 1.677 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568898570 1169538896 /nfs/dbraw/zinc/53/88/96/1169538896.db2.gz OLXFUNUJASHMBK-SREVYHEPSA-N 2 0 277.412 1.146 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001570046552 1170063686 /nfs/dbraw/zinc/06/36/86/1170063686.db2.gz CQTXBDONSYAYJQ-KKUMJFAQSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001570123639 1170088177 /nfs/dbraw/zinc/08/81/77/1170088177.db2.gz XMYQSDPFRDMUJV-UHFFFAOYSA-N 2 0 277.412 1.287 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001570517610 1170174141 /nfs/dbraw/zinc/17/41/41/1170174141.db2.gz CAVAVHBLVGJWHX-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001662995655 1172625833 /nfs/dbraw/zinc/62/58/33/1172625833.db2.gz UUEKPERXIOJIGB-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001664760502 1172904165 /nfs/dbraw/zinc/90/41/65/1172904165.db2.gz UHTCFDCLDBIIFU-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001665362514 1172986082 /nfs/dbraw/zinc/98/60/82/1172986082.db2.gz CIGRFSAKAKEACO-UHFFFAOYSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001667058909 1173228036 /nfs/dbraw/zinc/22/80/36/1173228036.db2.gz LGYASJKTZCDDKF-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001689336646 1175148886 /nfs/dbraw/zinc/14/88/86/1175148886.db2.gz WMUOIUAHBHNBGA-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001690157063 1175390707 /nfs/dbraw/zinc/39/07/07/1175390707.db2.gz XFDXDUXKUNPGBM-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001690277788 1175421491 /nfs/dbraw/zinc/42/14/91/1175421491.db2.gz JUHFQBXQNKLIGS-JHJVBQTASA-N 2 0 271.380 1.089 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001690357966 1175448985 /nfs/dbraw/zinc/44/89/85/1175448985.db2.gz LONHUPIQANQCCG-GASCZTMLSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001690389206 1175457389 /nfs/dbraw/zinc/45/73/89/1175457389.db2.gz ZMRXYHXHQAIMBC-HZPDHXFCSA-N 2 0 293.455 1.424 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001692368103 1175752955 /nfs/dbraw/zinc/75/29/55/1175752955.db2.gz HUKDGFVWFZSTHA-PMPSAXMXSA-N 2 0 291.439 1.463 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001698609436 1175870927 /nfs/dbraw/zinc/87/09/27/1175870927.db2.gz FALIJSNFNIWKFJ-KKUMJFAQSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001698878602 1175976406 /nfs/dbraw/zinc/97/64/06/1175976406.db2.gz LIIYTAQOZLCDRJ-CVEARBPZSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC=C)C(C)C)CC1 ZINC001698980858 1176004506 /nfs/dbraw/zinc/00/45/06/1176004506.db2.gz OHUFUZFBRXLJCP-MRXNPFEDSA-N 2 0 291.439 1.248 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001699461317 1176423139 /nfs/dbraw/zinc/42/31/39/1176423139.db2.gz RSVLBQSLHIXJTJ-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001699508238 1176454926 /nfs/dbraw/zinc/45/49/26/1176454926.db2.gz ONVUHOBWIGWFTB-GOEBONIOSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001699514240 1176457662 /nfs/dbraw/zinc/45/76/62/1176457662.db2.gz DWNCLHAULVPGRL-AWEZNQCLSA-N 2 0 267.417 1.034 10 30 CDEERP C=CCOCC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001699823550 1176641843 /nfs/dbraw/zinc/64/18/43/1176641843.db2.gz HCBSGUSDEHGQEO-INIZCTEOSA-N 2 0 297.443 1.110 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001699944135 1176691151 /nfs/dbraw/zinc/69/11/51/1176691151.db2.gz KUVRPXYSHNKSNC-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001699972382 1176702087 /nfs/dbraw/zinc/70/20/87/1176702087.db2.gz YAYKOWTUOMKFMW-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001700016768 1176718316 /nfs/dbraw/zinc/71/83/16/1176718316.db2.gz KWEPRPPGOHPTAI-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001700381690 1176886464 /nfs/dbraw/zinc/88/64/64/1176886464.db2.gz LERQWOFMLLTTTA-YMAMQOFZSA-N 2 0 279.428 1.080 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001700463311 1176952600 /nfs/dbraw/zinc/95/26/00/1176952600.db2.gz FVRWGDPFLGQSJA-KGLIPLIRSA-N 2 0 267.417 1.032 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001700642990 1177051647 /nfs/dbraw/zinc/05/16/47/1177051647.db2.gz BIHKRVDKEFWSOZ-KKUMJFAQSA-N 2 0 281.444 1.633 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001700765722 1177122313 /nfs/dbraw/zinc/12/23/13/1177122313.db2.gz BLYXUQUEFOXCEB-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001707090723 1177948456 /nfs/dbraw/zinc/94/84/56/1177948456.db2.gz KIPNPRLWPLOKNB-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1CC ZINC001707203353 1177969055 /nfs/dbraw/zinc/96/90/55/1177969055.db2.gz FNWXEWLNZRPIRH-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001713062537 1178340433 /nfs/dbraw/zinc/34/04/33/1178340433.db2.gz BJARRQVRCIOEFM-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001713135757 1178389585 /nfs/dbraw/zinc/38/95/85/1178389585.db2.gz PRHSJBINZWFOST-MRXNPFEDSA-N 2 0 293.455 1.522 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001713409354 1178544384 /nfs/dbraw/zinc/54/43/84/1178544384.db2.gz VRWSNAAIJCCGSC-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001713488119 1178602490 /nfs/dbraw/zinc/60/24/90/1178602490.db2.gz PDCHIXMJYILBBO-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001713601512 1178676183 /nfs/dbraw/zinc/67/61/83/1178676183.db2.gz ZXPOHOXFQUWHQY-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH+](CCCNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001713695526 1178715502 /nfs/dbraw/zinc/71/55/02/1178715502.db2.gz YGKKQXMSISACTI-UHFFFAOYSA-N 2 0 267.417 1.177 10 30 CDEERP C#CCC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001713737457 1178730620 /nfs/dbraw/zinc/73/06/20/1178730620.db2.gz GMWFWFIJWHHPNR-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001714010596 1178925575 /nfs/dbraw/zinc/92/55/75/1178925575.db2.gz PHDYPFMVRUUQJM-CALCHBBNSA-N 2 0 299.418 1.622 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714016491 1178929043 /nfs/dbraw/zinc/92/90/43/1178929043.db2.gz PVNMLROBGBNIKV-SOUVJXGZSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001714080126 1178963703 /nfs/dbraw/zinc/96/37/03/1178963703.db2.gz SVACSBPGPKURCS-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001714412865 1179129134 /nfs/dbraw/zinc/12/91/34/1179129134.db2.gz SUXJGNHGONKNBC-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001714592254 1179248384 /nfs/dbraw/zinc/24/83/84/1179248384.db2.gz DJPKZPOIONCKLO-UHFFFAOYSA-N 2 0 287.407 1.433 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001714894306 1179442300 /nfs/dbraw/zinc/44/23/00/1179442300.db2.gz GDTWBKSXIDKJNT-GJZGRUSLSA-N 2 0 299.434 1.633 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715076550 1179542093 /nfs/dbraw/zinc/54/20/93/1179542093.db2.gz SZUIVDVIUFTWLS-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001715400488 1179657035 /nfs/dbraw/zinc/65/70/35/1179657035.db2.gz USYAMHGLNXRIHO-HOTGVXAUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001715476775 1179676423 /nfs/dbraw/zinc/67/64/23/1179676423.db2.gz QPXVXORTXOXROB-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+](C)CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001715539568 1179708697 /nfs/dbraw/zinc/70/86/97/1179708697.db2.gz LNHGGRNRZCMEJI-OKILXGFUSA-N 2 0 267.417 1.435 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001715778013 1179801679 /nfs/dbraw/zinc/80/16/79/1179801679.db2.gz PRVWSRFUVSRAAA-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001716073657 1180031694 /nfs/dbraw/zinc/03/16/94/1180031694.db2.gz PBNXYJGAIOLFFR-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001716145896 1180071389 /nfs/dbraw/zinc/07/13/89/1180071389.db2.gz UWUDLCVAEMZUGE-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001716179693 1180085442 /nfs/dbraw/zinc/08/54/42/1180085442.db2.gz ZBSZXXKEIBNXJJ-JKSUJKDBSA-N 2 0 293.455 1.757 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001716631913 1180315560 /nfs/dbraw/zinc/31/55/60/1180315560.db2.gz QTSIMHFHFVILHD-HZPDHXFCSA-N 2 0 291.439 1.224 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001716661290 1180346971 /nfs/dbraw/zinc/34/69/71/1180346971.db2.gz IINCWUWLXKQWKH-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001717496598 1180711351 /nfs/dbraw/zinc/71/13/51/1180711351.db2.gz MOXQFBSIXFKINJ-WBVHZDCISA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001717561800 1180741576 /nfs/dbraw/zinc/74/15/76/1180741576.db2.gz SVAGBHNHQBYDLP-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001718025298 1180975391 /nfs/dbraw/zinc/97/53/91/1180975391.db2.gz QQPSETXUQJULPJ-UHFFFAOYSA-N 2 0 289.423 1.242 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001723520988 1181582737 /nfs/dbraw/zinc/58/27/37/1181582737.db2.gz FMDAYCGWZBYDMP-UHFFFAOYSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCC[N@@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001725177806 1181906663 /nfs/dbraw/zinc/90/66/63/1181906663.db2.gz LUIFPPUPCKNIRG-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC(=C)C)CC1 ZINC001725198316 1181920099 /nfs/dbraw/zinc/92/00/99/1181920099.db2.gz XKKRJVSSEURBDI-OAHLLOKOSA-N 2 0 291.439 1.344 10 30 CDEERP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001725248275 1181936663 /nfs/dbraw/zinc/93/66/63/1181936663.db2.gz LVCPBPRAKILXCN-DZGCQCFKSA-N 2 0 297.418 1.126 10 30 CDEERP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001725380608 1181981371 /nfs/dbraw/zinc/98/13/71/1181981371.db2.gz UEHSSADSUQMRKH-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001731277792 1182290897 /nfs/dbraw/zinc/29/08/97/1182290897.db2.gz KIIXJYXFTRGURI-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001731489713 1182417504 /nfs/dbraw/zinc/41/75/04/1182417504.db2.gz NTUCZYNPUBNONL-UXLLHSPISA-N 2 0 291.439 1.675 10 30 CDEERP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001731558443 1182447712 /nfs/dbraw/zinc/44/77/12/1182447712.db2.gz KHSIZNXFDQCAKD-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001731665531 1182509937 /nfs/dbraw/zinc/50/99/37/1182509937.db2.gz ZQVRSQSCDHGHQG-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001732135117 1182794214 /nfs/dbraw/zinc/79/42/14/1182794214.db2.gz WGXISWXPIZOVKS-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001732167535 1182829456 /nfs/dbraw/zinc/82/94/56/1182829456.db2.gz DEYYWMQVIVYMTK-HUUCEWRRSA-N 2 0 281.444 1.826 10 30 CDEERP C=CCCC[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001732219391 1182865631 /nfs/dbraw/zinc/86/56/31/1182865631.db2.gz ZVOVAFJVVUYPEV-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CCN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732582385 1183027198 /nfs/dbraw/zinc/02/71/98/1183027198.db2.gz ZVAZRAIMKSFSII-OAHLLOKOSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001732976758 1183215358 /nfs/dbraw/zinc/21/53/58/1183215358.db2.gz JQUVKLLQOZOMHA-CYBMUJFWSA-N 2 0 275.396 1.642 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001733650740 1183489759 /nfs/dbraw/zinc/48/97/59/1183489759.db2.gz DBSTXHQCKXEACN-GJZGRUSLSA-N 2 0 281.444 1.587 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001734220450 1183696459 /nfs/dbraw/zinc/69/64/59/1183696459.db2.gz VGYMTIFBEWAVBK-SHTZXODSSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001734274403 1183709988 /nfs/dbraw/zinc/70/99/88/1183709988.db2.gz KYZGZQHTIUEIKG-CQSZACIVSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001734309321 1183722827 /nfs/dbraw/zinc/72/28/27/1183722827.db2.gz RQUDHARQVOVHAP-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001317508391 957519440 /nfs/dbraw/zinc/51/94/40/957519440.db2.gz NBAIHUYLBKRETQ-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](CC)CC1 ZINC000876709304 736274520 /nfs/dbraw/zinc/27/45/20/736274520.db2.gz OIBNQBLBPMZNFW-NSHDSACASA-N 2 0 259.781 1.057 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCC[NH2+]1 ZINC000852877056 733342992 /nfs/dbraw/zinc/34/29/92/733342992.db2.gz AOZYJECPPCZKND-JKSUJKDBSA-N 2 0 277.412 1.287 10 30 CDEERP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000852863061 733375852 /nfs/dbraw/zinc/37/58/52/733375852.db2.gz JXAIZGCILMLIFY-HNNXBMFYSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000876533237 733498365 /nfs/dbraw/zinc/49/83/65/733498365.db2.gz GMQZGRORWOEKGE-INTQDDNPSA-N 2 0 259.781 1.042 10 30 CDEERP CC(C)(C)[NH2+]CCNC(=[NH2+])NCCc1cccs1 ZINC000304747259 733605998 /nfs/dbraw/zinc/60/59/98/733605998.db2.gz GEQYGWUNIPXQMI-UHFFFAOYSA-N 2 0 268.430 1.583 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000876536260 733717843 /nfs/dbraw/zinc/71/78/43/733717843.db2.gz AITCNTWDLANJIJ-ZDUSSCGKSA-N 2 0 287.835 1.885 10 30 CDEERP Cc1ccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1C#N ZINC000931479916 734111209 /nfs/dbraw/zinc/11/12/09/734111209.db2.gz GTFIZFUTCCQLMR-UHFFFAOYSA-N 2 0 287.407 1.755 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CCC[NH2+]1 ZINC000877259152 734173049 /nfs/dbraw/zinc/17/30/49/734173049.db2.gz ZJKMQCOQIVCPFV-SJORKVTESA-N 2 0 293.455 1.908 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000876927937 734721307 /nfs/dbraw/zinc/72/13/07/734721307.db2.gz PBLVDOIQCCKXAD-YJQGPUDQSA-N 2 0 273.808 1.288 10 30 CDEERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852862078 734737027 /nfs/dbraw/zinc/73/70/27/734737027.db2.gz RXVBRCVIOXIRPA-HUUCEWRRSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000863558103 734770659 /nfs/dbraw/zinc/77/06/59/734770659.db2.gz WCVVEFSNEBDVTO-MSOLQXFVSA-N 2 0 286.419 1.667 10 30 CDEERP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CN1CCCC1 ZINC000852686508 734884114 /nfs/dbraw/zinc/88/41/14/734884114.db2.gz WFBTVPVKVBYCEJ-ZNMIVQPWSA-N 2 0 250.386 1.626 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000876859868 735145789 /nfs/dbraw/zinc/14/57/89/735145789.db2.gz MRUIQSNKMGREFZ-IHRRRGAJSA-N 2 0 299.846 1.695 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CC[NH+](CCC)CC1 ZINC000876735793 735186785 /nfs/dbraw/zinc/18/67/85/735186785.db2.gz PVLLQDCNSBLHBA-CYBMUJFWSA-N 2 0 287.835 1.695 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001636836668 1166702319 /nfs/dbraw/zinc/70/23/19/1166702319.db2.gz DIFVIPVZBDFRBE-MQVJKMGUSA-N 2 0 289.423 1.073 10 30 CDEERP C#CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001571048635 1167588437 /nfs/dbraw/zinc/58/84/37/1167588437.db2.gz HJNWECCBDRTWOP-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001566826380 1168434635 /nfs/dbraw/zinc/43/46/35/1168434635.db2.gz GZCHBGSQARQMJV-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001566897053 1168460509 /nfs/dbraw/zinc/46/05/09/1168460509.db2.gz PTGGMWJPOXFAEW-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001567081985 1168553304 /nfs/dbraw/zinc/55/33/04/1168553304.db2.gz FSMQLLXFBFSYDT-ZDUSSCGKSA-N 2 0 273.380 1.089 10 30 CDEERP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001567201777 1168616217 /nfs/dbraw/zinc/61/62/17/1168616217.db2.gz HXRVYSOVCZAJPB-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001567246246 1168638232 /nfs/dbraw/zinc/63/82/32/1168638232.db2.gz DNRGJGPMXATWAX-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC[C@@H](C)F)CC1 ZINC001567324318 1168680187 /nfs/dbraw/zinc/68/01/87/1168680187.db2.gz JWMFXJOHSZTHTI-CQSZACIVSA-N 2 0 297.418 1.128 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001266344022 894472425 /nfs/dbraw/zinc/47/24/25/894472425.db2.gz BLHLPXHBGCFQFP-KGLIPLIRSA-N 2 0 276.384 1.601 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266527549 895233548 /nfs/dbraw/zinc/23/35/48/895233548.db2.gz YVEIXZYMHQWBJD-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001266964745 896457010 /nfs/dbraw/zinc/45/70/10/896457010.db2.gz NZUYEAOUNKIWQR-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001267021090 896580775 /nfs/dbraw/zinc/58/07/75/896580775.db2.gz YTIKTSBYBWHSRY-KRWDZBQOSA-N 2 0 299.418 1.576 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001267145103 896914768 /nfs/dbraw/zinc/91/47/68/896914768.db2.gz NJMYTLZBPSUULX-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001267172714 897000864 /nfs/dbraw/zinc/00/08/64/897000864.db2.gz AMDJIVYPBOZRSV-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001267269774 897420651 /nfs/dbraw/zinc/42/06/51/897420651.db2.gz PXJXUPHFUNUDKI-CQSZACIVSA-N 2 0 265.401 1.237 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001267517058 898205906 /nfs/dbraw/zinc/20/59/06/898205906.db2.gz LWAWNEKBZYLOAE-IRXDYDNUSA-N 2 0 299.418 1.551 10 30 CDEERP C#CCC[NH+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001481043932 898676518 /nfs/dbraw/zinc/67/65/18/898676518.db2.gz HAHLFQRMCBABMN-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001272641792 914292748 /nfs/dbraw/zinc/29/27/48/914292748.db2.gz OORIBDQGBDUIKM-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267936858 900011536 /nfs/dbraw/zinc/01/15/36/900011536.db2.gz COTZCTYIRWRAIG-HUUCEWRRSA-N 2 0 297.418 1.270 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268003943 900256766 /nfs/dbraw/zinc/25/67/66/900256766.db2.gz BOKBSFYGWLIPBT-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001481346904 900469051 /nfs/dbraw/zinc/46/90/51/900469051.db2.gz HPSVEGUWFCLBJK-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001481436971 900662021 /nfs/dbraw/zinc/66/20/21/900662021.db2.gz BPLKSDQILKMMQZ-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268079414 901121580 /nfs/dbraw/zinc/12/15/80/901121580.db2.gz BNLSJLREAFGTAV-KKUMJFAQSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001268190714 901545557 /nfs/dbraw/zinc/54/55/57/901545557.db2.gz FEMMAZLBVSIAEC-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001268197153 901551775 /nfs/dbraw/zinc/55/17/75/901551775.db2.gz WDYFGHXXLFJKJI-LSDHHAIUSA-N 2 0 291.439 1.485 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001268217892 901589216 /nfs/dbraw/zinc/58/92/16/901589216.db2.gz DUKHYUMBDYSWOR-HRCADAONSA-N 2 0 293.455 1.470 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001268253065 901674136 /nfs/dbraw/zinc/67/41/36/901674136.db2.gz JXTQFCCIQBLQQS-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001481709957 901887964 /nfs/dbraw/zinc/88/79/64/901887964.db2.gz JAGIUIVXFRLCPU-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481876530 902250672 /nfs/dbraw/zinc/25/06/72/902250672.db2.gz VVSUGMZKXSAUFB-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001270222549 904455396 /nfs/dbraw/zinc/45/53/96/904455396.db2.gz ZJHBMCITGUQYOY-OAHLLOKOSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](CC=C)CC1 ZINC001270358514 904561872 /nfs/dbraw/zinc/56/18/72/904561872.db2.gz KAWXSFFBWJYMBR-UHFFFAOYSA-N 2 0 291.439 1.440 10 30 CDEERP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001270696894 904956471 /nfs/dbraw/zinc/95/64/71/904956471.db2.gz CWHROHRJLHLABE-DOTOQJQBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001271007029 905543458 /nfs/dbraw/zinc/54/34/58/905543458.db2.gz HGOWUFWFXGCAPD-WBVHZDCISA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001271750404 906771479 /nfs/dbraw/zinc/77/14/79/906771479.db2.gz JWKXNZLAXSIFAV-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001271839976 906884073 /nfs/dbraw/zinc/88/40/73/906884073.db2.gz UXZUSWFTAHSGSN-KFWWJZLASA-N 2 0 279.428 1.080 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483036285 908744203 /nfs/dbraw/zinc/74/42/03/908744203.db2.gz FIUJEFPRFJRAAS-BQYQJAHWSA-N 2 0 291.439 1.536 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001483135719 909780852 /nfs/dbraw/zinc/78/08/52/909780852.db2.gz OXQQOLHDRPXJRU-ZBFHGGJFSA-N 2 0 291.439 1.511 10 30 CDEERP C#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001483376648 911007660 /nfs/dbraw/zinc/00/76/60/911007660.db2.gz KBROUFZHXNOHNZ-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1 ZINC001484395909 915718244 /nfs/dbraw/zinc/71/82/44/915718244.db2.gz KQJFJLZPCLRBFK-WKILWMFISA-N 2 0 293.455 1.474 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001485060040 916458210 /nfs/dbraw/zinc/45/82/10/916458210.db2.gz NBPTVIWMQWJPFP-HOTGVXAUSA-N 2 0 293.455 1.519 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001485837556 920086696 /nfs/dbraw/zinc/08/66/96/920086696.db2.gz PVKWDCXFXIZODK-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001139869558 936654799 /nfs/dbraw/zinc/65/47/99/936654799.db2.gz LIKFRBCYFJTQNP-ZIAGYGMSSA-N 2 0 267.417 1.293 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C(C)(C)C ZINC001486399256 920963016 /nfs/dbraw/zinc/96/30/16/920963016.db2.gz RRCFHMIVHUKYEN-CQSZACIVSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001273075716 921916188 /nfs/dbraw/zinc/91/61/88/921916188.db2.gz ISRCXBJYCSICBQ-AWEZNQCLSA-N 2 0 287.407 1.479 10 30 CDEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CCc2c[nH]cn2)C1 ZINC001276389983 936739195 /nfs/dbraw/zinc/73/91/95/936739195.db2.gz VOAHYNKJSIHZKR-CYBMUJFWSA-N 2 0 290.411 1.745 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001568337950 1169252827 /nfs/dbraw/zinc/25/28/27/1169252827.db2.gz OJEXSMWQLSJDHT-GJZGRUSLSA-N 2 0 281.444 1.326 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491124742 936861496 /nfs/dbraw/zinc/86/14/96/936861496.db2.gz BGBKHEAWGHZRTH-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001489333853 926872365 /nfs/dbraw/zinc/87/23/65/926872365.db2.gz XHCPWKLSOBGETR-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000852891779 927908479 /nfs/dbraw/zinc/90/84/79/927908479.db2.gz XZEACPMAVMURTJ-QGZVFWFLSA-N 2 0 297.402 1.163 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001274367333 931494331 /nfs/dbraw/zinc/49/43/31/931494331.db2.gz AUEIMYMGHCEANT-FPLPWBNLSA-N 2 0 281.444 1.802 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001274460498 931501756 /nfs/dbraw/zinc/50/17/56/931501756.db2.gz VWXJLHCLISWJFX-OAHLLOKOSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001120504660 937804829 /nfs/dbraw/zinc/80/48/29/937804829.db2.gz UAKPPQOMLMTDKK-QLFBSQMISA-N 2 0 292.427 1.219 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001122103022 937905349 /nfs/dbraw/zinc/90/53/49/937905349.db2.gz RZYQXAJOVLENTI-OLZOCXBDSA-N 2 0 267.417 1.564 10 30 CDEERP CC#CC[C@H](CO)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001206499692 940050012 /nfs/dbraw/zinc/05/00/12/940050012.db2.gz ZWKPORMXEUQWAH-AQFXKWCLSA-N 2 0 294.439 1.384 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001277046423 941864041 /nfs/dbraw/zinc/86/40/41/941864041.db2.gz RQIHMTAOQKSUMJ-BZUAXINKSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[N@H+]1CC=C(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001279575023 942395317 /nfs/dbraw/zinc/39/53/17/942395317.db2.gz XZVXYSBJULZLRS-OAHLLOKOSA-N 2 0 295.402 1.048 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001281939420 942633738 /nfs/dbraw/zinc/63/37/38/942633738.db2.gz FZAHHTPESDIHCD-HUUCEWRRSA-N 2 0 299.434 1.775 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001282478462 942720389 /nfs/dbraw/zinc/72/03/89/942720389.db2.gz RBIJTYIZXQNHRV-CHWSQXEVSA-N 2 0 255.406 1.339 10 30 CDEERP C#CCC[NH+](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001283333853 942879050 /nfs/dbraw/zinc/87/90/50/942879050.db2.gz DZBPLHZUCINWDK-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001284132860 943086045 /nfs/dbraw/zinc/08/60/45/943086045.db2.gz SGBFGHBPPRFGAV-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001263872302 944014744 /nfs/dbraw/zinc/01/47/44/944014744.db2.gz HIOKBIZJTNBYKR-RBSFLKMASA-N 2 0 279.428 1.389 10 30 CDEERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1C#N ZINC001491567972 944031657 /nfs/dbraw/zinc/03/16/57/944031657.db2.gz ITQVWGXCAYXSJQ-ZDUSSCGKSA-N 2 0 288.395 1.104 10 30 CDEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264115591 944081857 /nfs/dbraw/zinc/08/18/57/944081857.db2.gz ZJECDJKCBXYLDF-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001264626930 944156085 /nfs/dbraw/zinc/15/60/85/944156085.db2.gz BUAZPLHGHDWAOA-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001265174760 944259225 /nfs/dbraw/zinc/25/92/25/944259225.db2.gz JDEZJTVQCBSKRF-MRXNPFEDSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001265491740 944407326 /nfs/dbraw/zinc/40/73/26/944407326.db2.gz BIAODSHBIHDMPO-VGWMRTNUSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265494946 944408791 /nfs/dbraw/zinc/40/87/91/944408791.db2.gz WYKRJRMTMOHXKV-MGPQQGTHSA-N 2 0 267.417 1.386 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001265687510 944469858 /nfs/dbraw/zinc/46/98/58/944469858.db2.gz BDFZESCPMAKAMV-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001277987401 944522664 /nfs/dbraw/zinc/52/26/64/944522664.db2.gz ICVHULFYBGLDDO-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001279155439 944781478 /nfs/dbraw/zinc/78/14/78/944781478.db2.gz BQKGPGPMADNAOW-HOCLYGCPSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)CCC)CC1 ZINC001479895677 971473774 /nfs/dbraw/zinc/47/37/74/971473774.db2.gz NZDCZWJWMDLOIJ-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001569121472 1169669491 /nfs/dbraw/zinc/66/94/91/1169669491.db2.gz IVRJHINTLQBKNE-ZBFHGGJFSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001480679603 971835497 /nfs/dbraw/zinc/83/54/97/971835497.db2.gz PLFYYIYTRKZQQB-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001480785425 971877841 /nfs/dbraw/zinc/87/78/41/971877841.db2.gz DBDXCJONBDFHBS-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001325597783 953979587 /nfs/dbraw/zinc/97/95/87/953979587.db2.gz GDMJDZJTSCFKBI-HOTGVXAUSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001325919190 954141334 /nfs/dbraw/zinc/14/13/34/954141334.db2.gz HMFDUXYUUPHUFI-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001328103882 955191892 /nfs/dbraw/zinc/19/18/92/955191892.db2.gz XOSYIIUOMVLWOC-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001328258292 955243740 /nfs/dbraw/zinc/24/37/40/955243740.db2.gz OKYAJYGRGPGVDD-CABCVRRESA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001491674422 955383173 /nfs/dbraw/zinc/38/31/73/955383173.db2.gz OKUJCWJRIZAJBF-GJZGRUSLSA-N 2 0 297.443 1.015 10 30 CDEERP C=CCCC[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001328939796 955566886 /nfs/dbraw/zinc/56/68/86/955566886.db2.gz AFXZJQOJRQXVPL-FHERZECASA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001317190918 955721647 /nfs/dbraw/zinc/72/16/47/955721647.db2.gz ZQMCZLNDKITLFZ-OAHLLOKOSA-N 2 0 291.439 1.772 10 30 CDEERP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001329278898 955794628 /nfs/dbraw/zinc/79/46/28/955794628.db2.gz SFFLWYHYPIPBRP-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001329335406 955833318 /nfs/dbraw/zinc/83/33/18/955833318.db2.gz NGDCROAKEBFCMN-CQSZACIVSA-N 2 0 281.444 1.280 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001329441492 955916075 /nfs/dbraw/zinc/91/60/75/955916075.db2.gz NGLLJPGLSFXHPK-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001494029533 972164644 /nfs/dbraw/zinc/16/46/44/972164644.db2.gz PKOWFYLNWUNSIC-OAHLLOKOSA-N 2 0 291.439 1.629 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001330046486 956249490 /nfs/dbraw/zinc/24/94/90/956249490.db2.gz HCQJVPPDHYSALD-GXTWGEPZSA-N 2 0 267.417 1.195 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001569233215 1169730176 /nfs/dbraw/zinc/73/01/76/1169730176.db2.gz FQGNZTAKNSJOGR-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001330360684 956395973 /nfs/dbraw/zinc/39/59/73/956395973.db2.gz RVBAXJDCLFRMSK-FPCVCCKLSA-N 2 0 291.439 1.198 10 30 CDEERP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001480727144 956646621 /nfs/dbraw/zinc/64/66/21/956646621.db2.gz QMANETAAXXJDHN-CABCVRRESA-N 2 0 299.434 1.775 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001316910657 956879803 /nfs/dbraw/zinc/87/98/03/956879803.db2.gz FMJASXNKNJPDLC-IYBDPMFKSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001317011975 956926458 /nfs/dbraw/zinc/92/64/58/956926458.db2.gz FSSOKVGEQPLEHI-JKSUJKDBSA-N 2 0 293.455 1.920 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001316802717 956934088 /nfs/dbraw/zinc/93/40/88/956934088.db2.gz PRSOKCSVXTYSPS-INIZCTEOSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001329170588 956952598 /nfs/dbraw/zinc/95/25/98/956952598.db2.gz IPMRZKVJGOEVKO-QWHCGFSZSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(Cl)CN(C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001316835721 957058445 /nfs/dbraw/zinc/05/84/45/957058445.db2.gz RCOQOYZGZRKIQA-CYBMUJFWSA-N 2 0 287.835 1.661 10 30 CDEERP C=CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001316915636 957123521 /nfs/dbraw/zinc/12/35/21/957123521.db2.gz VZMNLYZUUGSIKY-MRXNPFEDSA-N 2 0 291.439 1.485 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001317032888 957215198 /nfs/dbraw/zinc/21/51/98/957215198.db2.gz CQVOEMVDAFDUNW-MRXNPFEDSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317166348 957315726 /nfs/dbraw/zinc/31/57/26/957315726.db2.gz XRGZOMHBOGZZKY-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001494593317 972264494 /nfs/dbraw/zinc/26/44/94/972264494.db2.gz KIXRNMUUNQBDSE-UHFFFAOYSA-N 2 0 295.471 1.979 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001317403880 957456254 /nfs/dbraw/zinc/45/62/54/957456254.db2.gz HKCMQEVWEQBPGG-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001317769834 957657921 /nfs/dbraw/zinc/65/79/21/957657921.db2.gz LMLNRINOKLALIY-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001318606616 958196908 /nfs/dbraw/zinc/19/69/08/958196908.db2.gz MEZUYVGOMMKQMT-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1 ZINC001318654776 958216116 /nfs/dbraw/zinc/21/61/16/958216116.db2.gz REYDYKMZYRIYAD-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001319714568 958698584 /nfs/dbraw/zinc/69/85/84/958698584.db2.gz OHNPHTQAWDGCOA-LSDHHAIUSA-N 2 0 291.439 1.485 10 30 CDEERP C#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001320068657 958917024 /nfs/dbraw/zinc/91/70/24/958917024.db2.gz LCYFQIXTEMBXQA-CABCVRRESA-N 2 0 279.428 1.130 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001321113612 959600989 /nfs/dbraw/zinc/60/09/89/959600989.db2.gz ZMLUURRAKRLJPM-OKQSBHACSA-N 2 0 289.423 1.289 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001321138450 959616179 /nfs/dbraw/zinc/61/61/79/959616179.db2.gz ZMQKMPWBJJBMDA-ONEGZZNKSA-N 2 0 291.439 1.843 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001321662317 959894190 /nfs/dbraw/zinc/89/41/90/959894190.db2.gz GCQRRMNXBMUXDO-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001336004692 960146949 /nfs/dbraw/zinc/14/69/49/960146949.db2.gz VRKHTYOPSDYPJE-ZIAGYGMSSA-N 2 0 294.443 1.263 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001371359811 972487550 /nfs/dbraw/zinc/48/75/50/972487550.db2.gz AXEHNJGLEQBZGV-ZYHUDNBSSA-N 2 0 273.808 1.175 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001324225858 961246773 /nfs/dbraw/zinc/24/67/73/961246773.db2.gz NKMZISGLBYOBIP-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001324252430 961261232 /nfs/dbraw/zinc/26/12/32/961261232.db2.gz RGAIVFLMZRRISY-MRXNPFEDSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419622813 961878882 /nfs/dbraw/zinc/87/88/82/961878882.db2.gz DZJDNEPPAIPGQN-KBPBESRZSA-N 2 0 299.846 1.661 10 30 CDEERP C#CC[NH2+]CC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001341580463 963470167 /nfs/dbraw/zinc/47/01/67/963470167.db2.gz WLUPTMAUVKOWTK-ZBFHGGJFSA-N 2 0 291.439 1.355 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001341769661 963537496 /nfs/dbraw/zinc/53/74/96/963537496.db2.gz YKAWPMOZQWCXTP-ZFWWWQNUSA-N 2 0 265.401 1.272 10 30 CDEERP C=CC[C@@]1(C(=O)Nc2cccc3c2C[NH2+]C3)CCC[NH2+]1 ZINC001342397720 963731646 /nfs/dbraw/zinc/73/16/46/963731646.db2.gz KWYJUTXUSGQNBR-INIZCTEOSA-N 2 0 271.364 1.927 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC001342556285 963760463 /nfs/dbraw/zinc/76/04/63/963760463.db2.gz RRPIBPZVSATWFD-YTWAJWBKSA-N 2 0 259.781 1.054 10 30 CDEERP C=CC[C@]1(C(=O)NCC[C@@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC001343763389 964133596 /nfs/dbraw/zinc/13/35/96/964133596.db2.gz DUXXWSSDHOQAAW-GDBMZVCRSA-N 2 0 279.428 1.581 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001441376743 964484492 /nfs/dbraw/zinc/48/44/92/964484492.db2.gz DUZHLLHPYSUUSI-IHRRRGAJSA-N 2 0 299.846 1.565 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H](C)CC[NH+](C)C ZINC001556467076 965046344 /nfs/dbraw/zinc/04/63/44/965046344.db2.gz YOACAKKWBJIMMV-AWEZNQCLSA-N 2 0 269.433 1.541 10 30 CDEERP C#CC[NH+]1CCC(C(=O)Nc2ccc3c[nH+]cn3c2)CC1 ZINC001558590155 965326935 /nfs/dbraw/zinc/32/69/35/965326935.db2.gz ALAGINXORDMQHO-UHFFFAOYSA-N 2 0 282.347 1.618 10 30 CDEERP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001569479334 1169892221 /nfs/dbraw/zinc/89/22/21/1169892221.db2.gz UNHYJCXFEOVJFE-QGZVFWFLSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001480283656 967288116 /nfs/dbraw/zinc/28/81/16/967288116.db2.gz MERJJJIWGYPDIO-CABCVRRESA-N 2 0 299.434 1.681 10 30 CDEERP C#CCC[NH+]1CCC(C)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001569577368 1169929778 /nfs/dbraw/zinc/92/97/78/1169929778.db2.gz PKBTTZCGOYSJKF-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569650735 1169952989 /nfs/dbraw/zinc/95/29/89/1169952989.db2.gz HBEDEQCZJUGZTP-INIZCTEOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001496642281 973005693 /nfs/dbraw/zinc/00/56/93/973005693.db2.gz NLABPKCWYHMRNC-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001499943973 974341881 /nfs/dbraw/zinc/34/18/81/974341881.db2.gz JHUQBCHYXGDPLD-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001501149678 974541836 /nfs/dbraw/zinc/54/18/36/974541836.db2.gz FSCHHKVHWXGFEK-GJZGRUSLSA-N 2 0 279.428 1.036 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001501644056 974616556 /nfs/dbraw/zinc/61/65/56/974616556.db2.gz JUQVAIHALCAQGA-RDJZCZTQSA-N 2 0 291.439 1.487 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001502135826 974704523 /nfs/dbraw/zinc/70/45/23/974704523.db2.gz RWZDZDOBTXDWMQ-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001506666464 975200627 /nfs/dbraw/zinc/20/06/27/975200627.db2.gz GNRNWKIXOWJVRY-HNNXBMFYSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001506752283 975215768 /nfs/dbraw/zinc/21/57/68/975215768.db2.gz YEXDWXIMBNDLNA-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[N@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001506867546 975237074 /nfs/dbraw/zinc/23/70/74/975237074.db2.gz XVTLQAWVEMEWOK-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001405645511 975802149 /nfs/dbraw/zinc/80/21/49/975802149.db2.gz NVFIEQYSULAXDB-BXUZGUMPSA-N 2 0 299.846 1.423 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001399246239 976396408 /nfs/dbraw/zinc/39/64/08/976396408.db2.gz INECLZLWAIILMJ-OLZOCXBDSA-N 2 0 285.819 1.271 10 30 CDEERP C#CCC[N@H+]1CC=C(CNC(=O)CCc2c[nH]cn2)CC1 ZINC001677571073 1174374240 /nfs/dbraw/zinc/37/42/40/1174374240.db2.gz YFZCFNBNEKCUHG-UHFFFAOYSA-N 2 0 286.379 1.114 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001570201278 1170111249 /nfs/dbraw/zinc/11/12/49/1170111249.db2.gz WSXUNGWCQJWTPL-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001570363725 1170143172 /nfs/dbraw/zinc/14/31/72/1170143172.db2.gz GVACNMJNXBVKIK-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001571610042 1170494046 /nfs/dbraw/zinc/49/40/46/1170494046.db2.gz CRCUFGBXNSBFBC-AWEZNQCLSA-N 2 0 267.417 1.435 10 30 CDEERP C=CC[NH+]1CCC([C@H](C)NC(=O)CC[N@@H+](C)CC)CC1 ZINC001571650241 1170509327 /nfs/dbraw/zinc/50/93/27/1170509327.db2.gz KNCBTZRKNJZQAR-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C[C@@H]1C[C@H](C)N(C(=O)[C@H]([NH3+])CCCCC#N)C[C@H]1C[NH3+] ZINC000594449562 342909517 /nfs/dbraw/zinc/90/95/17/342909517.db2.gz KIAGZCIKNUYQHZ-XJFOESAGSA-N 2 0 280.416 1.229 10 30 CDEERP C[C@@H]1CC2(CN1C(=O)[C@@H]([NH3+])CCCCC#N)CC[NH2+]CC2 ZINC000594450278 342909785 /nfs/dbraw/zinc/90/97/85/342909785.db2.gz WPWWPBKQNHIRLP-KGLIPLIRSA-N 2 0 292.427 1.388 10 30 CDEERP CC(C)C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)NCC[NH+](C)C ZINC000442849028 362096120 /nfs/dbraw/zinc/09/61/20/362096120.db2.gz ZWNBIAHQLGCBEJ-ILXRZTDVSA-N 2 0 294.443 1.361 10 30 CDEERP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595936582 343201727 /nfs/dbraw/zinc/20/17/27/343201727.db2.gz OHHLCDXCJAFNLE-CABCVRRESA-N 2 0 292.427 1.246 10 30 CDEERP C[NH+](C)CCC[C@@H]1C[N@H+](CCCCC#N)CCO1 ZINC000595907760 343188906 /nfs/dbraw/zinc/18/89/06/343188906.db2.gz XRBHETHVVHWUEP-CQSZACIVSA-N 2 0 253.390 1.723 10 30 CDEERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000602600390 344504887 /nfs/dbraw/zinc/50/48/87/344504887.db2.gz FZOXRYTUVXQBMY-ZDUSSCGKSA-N 2 0 280.416 1.340 10 30 CDEERP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001661072646 1172331059 /nfs/dbraw/zinc/33/10/59/1172331059.db2.gz BJLSKSYPCYPKPJ-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CC3)CC[C@H]21 ZINC000528408262 367830250 /nfs/dbraw/zinc/83/02/50/367830250.db2.gz SSIBXYVREXJESR-QLFBSQMISA-N 2 0 277.412 1.457 10 30 CDEERP C[C@@H]1C[N@H+](CCCNCc2nc(C#N)cs2)CCCO1 ZINC000352862404 374363395 /nfs/dbraw/zinc/36/33/95/374363395.db2.gz OEKWYUAMWNHPIN-GFCCVEGCSA-N 2 0 294.424 1.605 10 30 CDEERP N#CCc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000574692176 335040200 /nfs/dbraw/zinc/04/02/00/335040200.db2.gz STFSXNKOZVNBNV-KZNAEPCWSA-N 2 0 299.418 1.999 10 30 CDEERP C=CCC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336479 412905788 /nfs/dbraw/zinc/90/57/88/412905788.db2.gz DLPVPFOCNIWFPD-AWEZNQCLSA-N 2 0 289.427 1.575 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001663184708 1172651171 /nfs/dbraw/zinc/65/11/71/1172651171.db2.gz AQRGAALXQVNENI-RRFJBIMHSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[C@@]1(C(=O)NCC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662700819 413345254 /nfs/dbraw/zinc/34/52/54/413345254.db2.gz LOIGJSUSXREMMA-HNNXBMFYSA-N 2 0 265.401 1.143 10 30 CDEERP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000358594744 157968764 /nfs/dbraw/zinc/96/87/64/157968764.db2.gz TWPJHBAYRATECE-LBPRGKRZSA-N 2 0 291.370 1.805 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2CCCC[N@H+]2CC)CCC[NH2+]1 ZINC000662717099 413372046 /nfs/dbraw/zinc/37/20/46/413372046.db2.gz XEEAFSCDABFTCW-ZBFHGGJFSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[C@]1(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC[NH2+]1 ZINC000662743908 413417213 /nfs/dbraw/zinc/41/72/13/413417213.db2.gz APTMYGDDHVWUEC-OFQRWUPVSA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000662771205 413469787 /nfs/dbraw/zinc/46/97/87/413469787.db2.gz VJDSSDFCHANGBA-VNHYZAJKSA-N 2 0 263.385 1.038 10 30 CDEERP C=CC[C@]1(C(=O)NC2CC([NH+]3CCCCC3)C2)CCC[NH2+]1 ZINC000662793329 413513149 /nfs/dbraw/zinc/51/31/49/413513149.db2.gz KMOXHPSXSDQNRU-VMBOVVBDSA-N 2 0 291.439 1.818 10 30 CDEERP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000071145422 176042194 /nfs/dbraw/zinc/04/21/94/176042194.db2.gz OLBGVCVQIGEXCV-CYBMUJFWSA-N 2 0 286.379 1.428 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]C(C)C)CC1 ZINC001666673834 1173169177 /nfs/dbraw/zinc/16/91/77/1173169177.db2.gz XACYDRVWBLPQAK-CQSZACIVSA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653117871 424302209 /nfs/dbraw/zinc/30/22/09/424302209.db2.gz XXMCLRLGBIFQLW-LSDHHAIUSA-N 2 0 277.412 1.284 10 30 CDEERP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001667393674 1173262812 /nfs/dbraw/zinc/26/28/12/1173262812.db2.gz ORHZAZYZYOUELL-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001667634030 1173301966 /nfs/dbraw/zinc/30/19/66/1173301966.db2.gz FCNQXLMWDVVZKV-HUUCEWRRSA-N 2 0 279.428 1.580 10 30 CDEERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000234695886 293097744 /nfs/dbraw/zinc/09/77/44/293097744.db2.gz DYWUZHFVTMUVQH-DOMZBBRYSA-N 2 0 261.369 1.963 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001668904285 1173477363 /nfs/dbraw/zinc/47/73/63/1173477363.db2.gz ALTPIBWIFZCMDI-JFDDCEBESA-N 2 0 293.455 1.945 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001670127626 1173656230 /nfs/dbraw/zinc/65/62/30/1173656230.db2.gz HJAJUABPEPZZIS-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001670139323 1173657883 /nfs/dbraw/zinc/65/78/83/1173657883.db2.gz XRGXDVPVUSGOCE-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001690477325 1175480217 /nfs/dbraw/zinc/48/02/17/1175480217.db2.gz ISPXPWSPTRHBOZ-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@H](C)C(C)C ZINC000262809651 330033300 /nfs/dbraw/zinc/03/33/00/330033300.db2.gz UUHREVJRKYNISE-TZMCWYRMSA-N 2 0 286.489 1.633 10 30 CDEERP C=CC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001731508564 1159298330 /nfs/dbraw/zinc/29/83/30/1159298330.db2.gz OHJLRCZUUSIKTQ-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001481351294 1159667854 /nfs/dbraw/zinc/66/78/54/1159667854.db2.gz AFDJPDIFKLQZPQ-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001670807464 1160169638 /nfs/dbraw/zinc/16/96/38/1160169638.db2.gz KSNDRXLVVSPBDY-UHFFFAOYSA-N 2 0 291.439 1.677 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482816696 1160637423 /nfs/dbraw/zinc/63/74/23/1160637423.db2.gz JAFBEORDDFOQNV-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001279156261 1160768382 /nfs/dbraw/zinc/76/83/82/1160768382.db2.gz NOQPCHVFUJANSB-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483320226 1160899090 /nfs/dbraw/zinc/89/90/90/1160899090.db2.gz SNGZLNLUMZTHBC-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001734271562 1183708798 /nfs/dbraw/zinc/70/87/98/1183708798.db2.gz GUUOABJSWWQUJR-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(C#CC[NH3+])s1 ZINC000061655676 521863366 /nfs/dbraw/zinc/86/33/66/521863366.db2.gz MGAQIQZEUMTVJF-GFCCVEGCSA-N 2 0 291.420 1.225 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113222225 526922802 /nfs/dbraw/zinc/92/28/02/526922802.db2.gz ZQUWUDVFMVALHV-GOEBONIOSA-N 2 0 289.423 1.027 10 30 CDEERP [NH3+]CC#Cc1cc(C[N@@H+]2CCC[C@@H]2CO)ccc1F ZINC000049609770 527147318 /nfs/dbraw/zinc/14/73/18/527147318.db2.gz IGVFDDGQXARCTN-CQSZACIVSA-N 2 0 262.328 1.093 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000900204728 622800859 /nfs/dbraw/zinc/80/08/59/622800859.db2.gz OADYZRXSLBZICV-UKRRQHHQSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000900219182 622811998 /nfs/dbraw/zinc/81/19/98/622811998.db2.gz SFQHEWWTRKOKIQ-GASCZTMLSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000900705924 623387419 /nfs/dbraw/zinc/38/74/19/623387419.db2.gz OBZAGDIXSLIQFC-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000900802559 623554133 /nfs/dbraw/zinc/55/41/33/623554133.db2.gz WFHPRZNXXCREQY-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP N#C[C@H]1C[NH2+]CC12CC(c1nc([C@@H]3CCC[NH2+]3)no1)C2 ZINC000905304532 626756486 /nfs/dbraw/zinc/75/64/86/626756486.db2.gz LVZPFHMEZUSSJV-JXJNQWLDSA-N 2 0 273.340 1.101 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000876756347 630563507 /nfs/dbraw/zinc/56/35/07/630563507.db2.gz RWFWPSJNOQPWPY-LBPRGKRZSA-N 2 0 273.808 1.447 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001670701413 1158698327 /nfs/dbraw/zinc/69/83/27/1158698327.db2.gz RHWLWXWCHAIDJO-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001691186600 1158950267 /nfs/dbraw/zinc/95/02/67/1158950267.db2.gz YVBVNQQIYVZAJF-UHFFFAOYSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001691211543 1158960431 /nfs/dbraw/zinc/96/04/31/1158960431.db2.gz VWXQWWACGQKZSK-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001271678841 1160347074 /nfs/dbraw/zinc/34/70/74/1160347074.db2.gz UAOGOCQYVKOBHQ-CABCVRRESA-N 2 0 291.439 1.485 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001567333080 1168686903 /nfs/dbraw/zinc/68/69/03/1168686903.db2.gz JBZPALKJKPLPBQ-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001568768896 1169468515 /nfs/dbraw/zinc/46/85/15/1169468515.db2.gz JVBFLGODWOLILF-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001569691447 1169968591 /nfs/dbraw/zinc/96/85/91/1169968591.db2.gz ZROCNPWKSYFXBB-HNNXBMFYSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001569821831 1170005225 /nfs/dbraw/zinc/00/52/25/1170005225.db2.gz SXENSCDFGOTAIW-HUUCEWRRSA-N 2 0 293.455 1.424 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001671252277 1171243933 /nfs/dbraw/zinc/24/39/33/1171243933.db2.gz VTEFJARURDGXJM-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001656369690 1171813352 /nfs/dbraw/zinc/81/33/52/1171813352.db2.gz NDQBGOHGSGEWLC-HRCADAONSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001662268768 1172519741 /nfs/dbraw/zinc/51/97/41/1172519741.db2.gz OVXHKEHNNQRDGF-ZDUSSCGKSA-N 2 0 265.401 1.285 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001666256379 1173122529 /nfs/dbraw/zinc/12/25/29/1173122529.db2.gz KNAHASQUTHJTJR-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001667344540 1173256551 /nfs/dbraw/zinc/25/65/51/1173256551.db2.gz DHYRANGVAQHSRA-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)CCC[NH+]1CCCC1 ZINC001668652076 1173435678 /nfs/dbraw/zinc/43/56/78/1173435678.db2.gz HCFSPDYMCDLVKW-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001668882179 1173476496 /nfs/dbraw/zinc/47/64/96/1173476496.db2.gz DXMPQMRBMPNTLZ-PLNGDYQASA-N 2 0 291.439 1.701 10 30 CDEERP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CC)CC1 ZINC001671491554 1173684489 /nfs/dbraw/zinc/68/44/89/1173684489.db2.gz DDAUJVNXDBIGPG-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001674985924 1174054781 /nfs/dbraw/zinc/05/47/81/1174054781.db2.gz PPDLKJQOJRJWTD-ZNMIVQPWSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001674985923 1174055095 /nfs/dbraw/zinc/05/50/95/1174055095.db2.gz PPDLKJQOJRJWTD-KKUMJFAQSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001690341742 1175443516 /nfs/dbraw/zinc/44/35/16/1175443516.db2.gz UQBYXJXUQPAEBK-HZSPNIEDSA-N 2 0 265.401 1.284 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001692076476 1175672887 /nfs/dbraw/zinc/67/28/87/1175672887.db2.gz PFHPNFWTKWEAMD-CABCVRRESA-N 2 0 279.428 1.295 10 30 CDEERP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001692086523 1175675668 /nfs/dbraw/zinc/67/56/68/1175675668.db2.gz BRAJAYVEOWWUDC-CVEARBPZSA-N 2 0 293.455 1.683 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001692344656 1175742609 /nfs/dbraw/zinc/74/26/09/1175742609.db2.gz XVGHFQFJIWRHMV-CQSZACIVSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001698695898 1175897792 /nfs/dbraw/zinc/89/77/92/1175897792.db2.gz QHOYMVPHUIFCRT-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001698902453 1175981075 /nfs/dbraw/zinc/98/10/75/1175981075.db2.gz UHRZJGHGMPAFEJ-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001698956431 1175994426 /nfs/dbraw/zinc/99/44/26/1175994426.db2.gz XRFCEKULMYXBDC-UHFFFAOYSA-N 2 0 293.455 1.520 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CC=C)CC1 ZINC001699160558 1176116985 /nfs/dbraw/zinc/11/69/85/1176116985.db2.gz SARTYKRNCDWNLQ-AWEZNQCLSA-N 2 0 277.412 1.002 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001699188842 1176133187 /nfs/dbraw/zinc/13/31/87/1176133187.db2.gz RGKMLNUTBGLISK-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699207417 1176140556 /nfs/dbraw/zinc/14/05/56/1176140556.db2.gz KONYQDHFCVOSOV-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001699724540 1176589478 /nfs/dbraw/zinc/58/94/78/1176589478.db2.gz MQFWZFLNWFZKGH-ZIAGYGMSSA-N 2 0 279.428 1.435 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001699742800 1176600719 /nfs/dbraw/zinc/60/07/19/1176600719.db2.gz JLAQAVQTOGUGEZ-KBPBESRZSA-N 2 0 267.417 1.482 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001699959041 1176697824 /nfs/dbraw/zinc/69/78/24/1176697824.db2.gz ZIUDZTVCSYDWNO-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001700646101 1177054869 /nfs/dbraw/zinc/05/48/69/1177054869.db2.gz SGPXDVNYMCJJIU-VGWMRTNUSA-N 2 0 291.439 1.367 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001700888925 1177179508 /nfs/dbraw/zinc/17/95/08/1177179508.db2.gz RPGLOKREWZBCNK-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001700899627 1177187298 /nfs/dbraw/zinc/18/72/98/1177187298.db2.gz COKOKEMEIAYZIW-GDBMZVCRSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001713060852 1178339746 /nfs/dbraw/zinc/33/97/46/1178339746.db2.gz IDLVQBZVJZXOFL-UONOGXRCSA-N 2 0 285.407 1.433 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713219242 1178439082 /nfs/dbraw/zinc/43/90/82/1178439082.db2.gz LXVXLRJMUPACKY-JKSUJKDBSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001713362269 1178521334 /nfs/dbraw/zinc/52/13/34/1178521334.db2.gz VJQBGIFWBYVIBN-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713751524 1178738043 /nfs/dbraw/zinc/73/80/43/1178738043.db2.gz WYZQILQVLGCMGM-CVEARBPZSA-N 2 0 295.471 1.929 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001714008814 1178925489 /nfs/dbraw/zinc/92/54/89/1178925489.db2.gz ZGQLLCRPRUETJV-MJBXVCDLSA-N 2 0 267.417 1.530 10 30 CDEERP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714047593 1178945767 /nfs/dbraw/zinc/94/57/67/1178945767.db2.gz CKNNYUXHJBFKEF-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001714050068 1178946546 /nfs/dbraw/zinc/94/65/46/1178946546.db2.gz MISBRXBFFLVPDC-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001714054305 1178949907 /nfs/dbraw/zinc/94/99/07/1178949907.db2.gz VAPJXBRQIBRGAP-AWEZNQCLSA-N 2 0 267.417 1.435 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001714108238 1178976140 /nfs/dbraw/zinc/97/61/40/1178976140.db2.gz WJEOVOZUYGHLJC-HUUCEWRRSA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001714169299 1179001060 /nfs/dbraw/zinc/00/10/60/1179001060.db2.gz JSHDODNCXQJCQP-HOCLYGCPSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+]C1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001714190994 1179007528 /nfs/dbraw/zinc/00/75/28/1179007528.db2.gz SZTKLDFJPNKQFX-UHFFFAOYSA-N 2 0 277.412 1.121 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714235571 1179037725 /nfs/dbraw/zinc/03/77/25/1179037725.db2.gz KUABUCLPPWMING-LSDHHAIUSA-N 2 0 281.444 1.920 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001714296798 1179071713 /nfs/dbraw/zinc/07/17/13/1179071713.db2.gz SWGRZNFGNMIIQN-KKUMJFAQSA-N 2 0 277.412 1.121 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001714598260 1179254140 /nfs/dbraw/zinc/25/41/40/1179254140.db2.gz ZBTUUUZTIUESID-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001714646054 1179293123 /nfs/dbraw/zinc/29/31/23/1179293123.db2.gz OBBNTEAAXUIYCT-UONOGXRCSA-N 2 0 290.411 1.603 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001715141213 1179563548 /nfs/dbraw/zinc/56/35/48/1179563548.db2.gz WMLKIBAOOJYZEC-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001715449977 1179669729 /nfs/dbraw/zinc/66/97/29/1179669729.db2.gz ZEXUSDWBQCFMAD-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715765750 1179795834 /nfs/dbraw/zinc/79/58/34/1179795834.db2.gz BINQYJSLGZSYAU-CYBMUJFWSA-N 2 0 287.835 1.519 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001716072786 1180031032 /nfs/dbraw/zinc/03/10/32/1180031032.db2.gz HHIROUIDTBDUSU-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001716585111 1180293193 /nfs/dbraw/zinc/29/31/93/1180293193.db2.gz BJUITXPKFLUEHI-UHFFFAOYSA-N 2 0 253.390 1.096 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001716623104 1180311339 /nfs/dbraw/zinc/31/13/39/1180311339.db2.gz BODBGRCOPKFVDH-ZBFHGGJFSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1CC ZINC001716638607 1180316638 /nfs/dbraw/zinc/31/66/38/1180316638.db2.gz CHEUKFWJZGMQRE-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001716696618 1180375803 /nfs/dbraw/zinc/37/58/03/1180375803.db2.gz PUFLNLUKZABWPP-LSDHHAIUSA-N 2 0 291.439 1.818 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001717084177 1180527104 /nfs/dbraw/zinc/52/71/04/1180527104.db2.gz JPCQPLKLZIMQNK-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717096537 1180530344 /nfs/dbraw/zinc/53/03/44/1180530344.db2.gz HLQYBRJTZKSART-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001717293534 1180607747 /nfs/dbraw/zinc/60/77/47/1180607747.db2.gz NFNRBPYTACNXLD-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717700882 1180796787 /nfs/dbraw/zinc/79/67/87/1180796787.db2.gz KGHLNDLXTNXGED-GDBMZVCRSA-N 2 0 291.439 1.273 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001717739754 1180818572 /nfs/dbraw/zinc/81/85/72/1180818572.db2.gz ZTCVZMFNQDKWDR-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001717840873 1180888185 /nfs/dbraw/zinc/88/81/85/1180888185.db2.gz MHRZYXOUGDHHGY-HOCLYGCPSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001717894699 1180918618 /nfs/dbraw/zinc/91/86/18/1180918618.db2.gz WXTHZMDWFWJIKO-KFWWJZLASA-N 2 0 293.455 1.729 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1CC ZINC001723388711 1181545671 /nfs/dbraw/zinc/54/56/71/1181545671.db2.gz GIXMRYVIYVXHMC-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)Cn1ccnc1 ZINC001723483139 1181574023 /nfs/dbraw/zinc/57/40/23/1181574023.db2.gz GIPWAKOXNBMDJH-ZDUSSCGKSA-N 2 0 262.357 1.040 10 30 CDEERP C=CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001724184818 1181649037 /nfs/dbraw/zinc/64/90/37/1181649037.db2.gz VUYFMQLTQXTEKO-CQSZACIVSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]cn2)CCC1 ZINC001724797582 1181756954 /nfs/dbraw/zinc/75/69/54/1181756954.db2.gz VAMNLJNJCAAGMX-ZDUSSCGKSA-N 2 0 288.395 1.240 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001725116425 1181870323 /nfs/dbraw/zinc/87/03/23/1181870323.db2.gz LLYJQGWMDMWBEZ-UONOGXRCSA-N 2 0 297.443 1.156 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725173397 1181903495 /nfs/dbraw/zinc/90/34/95/1181903495.db2.gz AVHYFNKYSHLMBM-OAHLLOKOSA-N 2 0 291.439 1.036 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001731478980 1182410028 /nfs/dbraw/zinc/41/00/28/1182410028.db2.gz BOMDPFCIFAELLL-OKILXGFUSA-N 2 0 291.439 1.509 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001731806553 1182596315 /nfs/dbraw/zinc/59/63/15/1182596315.db2.gz LBXSWWXEQGOZKT-UHFFFAOYSA-N 2 0 299.378 1.505 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001731926331 1182681048 /nfs/dbraw/zinc/68/10/48/1182681048.db2.gz VVILHRMQCWSOOY-UHFFFAOYSA-N 2 0 286.379 1.880 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001731963985 1182702467 /nfs/dbraw/zinc/70/24/67/1182702467.db2.gz BEMPGSIFIUOWPQ-UHFFFAOYSA-N 2 0 287.407 1.433 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001732282728 1182894023 /nfs/dbraw/zinc/89/40/23/1182894023.db2.gz AUMMQNHWOUUTRR-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001732368151 1182930361 /nfs/dbraw/zinc/93/03/61/1182930361.db2.gz NWSGQLFYLJSOMQ-RDJZCZTQSA-N 2 0 293.455 1.780 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)c1sccc1C[NH+](C)C ZINC001732422423 1182958597 /nfs/dbraw/zinc/95/85/97/1182958597.db2.gz HTSJKJLGOOAKNK-LBPRGKRZSA-N 2 0 293.436 1.493 10 30 CDEERP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001732547295 1183002898 /nfs/dbraw/zinc/00/28/98/1183002898.db2.gz MLRXPPLSPQCLRP-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001732754154 1183109519 /nfs/dbraw/zinc/10/95/19/1183109519.db2.gz KGXPKDJXIQNREH-AWEZNQCLSA-N 2 0 267.417 1.533 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1CC ZINC001733200731 1183326978 /nfs/dbraw/zinc/32/69/78/1183326978.db2.gz QLPRGBCYKPKUDJ-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001733334723 1183400675 /nfs/dbraw/zinc/40/06/75/1183400675.db2.gz XKDZXDDLSZAGKB-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001733476741 1183442860 /nfs/dbraw/zinc/44/28/60/1183442860.db2.gz KWGZKTAITOBTOK-GFCCVEGCSA-N 2 0 289.370 1.198 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001733879589 1183556947 /nfs/dbraw/zinc/55/69/47/1183556947.db2.gz SIZDEGIOOOGYBV-AWEZNQCLSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001734241337 1183702063 /nfs/dbraw/zinc/70/20/63/1183702063.db2.gz ULCASHBHYSOYDP-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001734345891 1183741760 /nfs/dbraw/zinc/74/17/60/1183741760.db2.gz NBWSGQFBKGIZCV-CQSZACIVSA-N 2 0 289.423 1.984 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001734577061 1183831473 /nfs/dbraw/zinc/83/14/73/1183831473.db2.gz SOJJEELYKOQHDE-CQSZACIVSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001273451413 1164274422 /nfs/dbraw/zinc/27/44/22/1164274422.db2.gz ZXGXNWDDMVZENW-UHFFFAOYSA-N 2 0 291.439 1.324 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000876772715 737084726 /nfs/dbraw/zinc/08/47/26/737084726.db2.gz RLMJXNMEWLZCBK-WDEREUQCSA-N 2 0 275.824 1.549 10 30 CDEERP C#Cc1cccnc1NCCN(C)CCC[NH+](C)C ZINC000853799190 737624644 /nfs/dbraw/zinc/62/46/44/737624644.db2.gz YGJMVERGGOJDND-UHFFFAOYSA-N 2 0 260.385 1.358 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000876708510 737921720 /nfs/dbraw/zinc/92/17/20/737921720.db2.gz SDBQSZNLLLLHJD-ZIAGYGMSSA-N 2 0 295.814 1.875 10 30 CDEERP C=CC[C@H]1CC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000934469721 738381831 /nfs/dbraw/zinc/38/18/31/738381831.db2.gz YRVVNQKXONWHOI-HNNXBMFYSA-N 2 0 279.428 1.626 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000876504353 738782778 /nfs/dbraw/zinc/78/27/78/738782778.db2.gz XHYVQTIYLGJKMT-NSHDSACASA-N 2 0 253.733 1.554 10 30 CDEERP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923505059 737761402 /nfs/dbraw/zinc/76/14/02/737761402.db2.gz XFDGAFXHXUVBLF-ZIAGYGMSSA-N 2 0 265.401 1.104 10 30 CDEERP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N(C)CCC1CCOCC1 ZINC000261936612 739041493 /nfs/dbraw/zinc/04/14/93/739041493.db2.gz COLWSKKOZHDOHB-OAHLLOKOSA-N 2 0 296.459 1.405 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001646839445 1168182602 /nfs/dbraw/zinc/18/26/02/1168182602.db2.gz UOAHBNNBPSQXDB-NEPJUHHUSA-N 2 0 275.824 1.693 10 30 CDEERP C#CC[NH+]1CCC(N(C)C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001566613227 1168356231 /nfs/dbraw/zinc/35/62/31/1168356231.db2.gz RCOBNSDHMKFTFA-MRXNPFEDSA-N 2 0 293.455 1.663 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001566809180 1168430875 /nfs/dbraw/zinc/43/08/75/1168430875.db2.gz KLULXPBMYCOQGC-YHUYYLMFSA-N 2 0 291.439 1.367 10 30 CDEERP C=CCC[N@@H+](C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001567324630 1168679149 /nfs/dbraw/zinc/67/91/49/1168679149.db2.gz WBCNFNYUKYTYHH-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[N@@H+](CCNC(=O)CCC[NH+]1CCCC1)C1CC1 ZINC001266621977 895613787 /nfs/dbraw/zinc/61/37/87/895613787.db2.gz NDXHBAKHSCKRKF-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001266695186 895850084 /nfs/dbraw/zinc/85/00/84/895850084.db2.gz NROXNKUCWMSCQW-OWCLPIDISA-N 2 0 291.439 1.367 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267020437 896578774 /nfs/dbraw/zinc/57/87/74/896578774.db2.gz BZUHFLPAJNZIDB-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267108923 896812915 /nfs/dbraw/zinc/81/29/15/896812915.db2.gz VEJKUAGOURHAJU-LSDHHAIUSA-N 2 0 281.444 1.826 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC(C)C)CC1 ZINC001267117201 896834790 /nfs/dbraw/zinc/83/47/90/896834790.db2.gz OHHLNDHJFGCCLX-UHFFFAOYSA-N 2 0 279.428 1.036 10 30 CDEERP C#CCC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001267233362 897247974 /nfs/dbraw/zinc/24/79/74/897247974.db2.gz SMSFQAPRPMYLHZ-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267597050 898659243 /nfs/dbraw/zinc/65/92/43/898659243.db2.gz RWODMNGNDVFXJM-HNNXBMFYSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001481072438 898725995 /nfs/dbraw/zinc/72/59/95/898725995.db2.gz UDQZPUJAROGUDW-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C#CC[NH2+]C[C@@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@H]1C ZINC001267874419 899930101 /nfs/dbraw/zinc/93/01/01/899930101.db2.gz UEJVKEZDNBARHO-WBVHZDCISA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001267939651 900010533 /nfs/dbraw/zinc/01/05/33/900010533.db2.gz QYHOWUVJVRXRNG-MRXNPFEDSA-N 2 0 287.407 1.366 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1ccnc1C ZINC001268099936 901285718 /nfs/dbraw/zinc/28/57/18/901285718.db2.gz JEYXOMZVYQTEMH-KBPBESRZSA-N 2 0 292.427 1.983 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=C)C)CC1 ZINC001282240979 901774452 /nfs/dbraw/zinc/77/44/52/901774452.db2.gz HQUKWYWVXMOCNT-HUUCEWRRSA-N 2 0 291.439 1.391 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001481696423 901825075 /nfs/dbraw/zinc/82/50/75/901825075.db2.gz KAYRCKFDFOIOBD-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001481946043 902388921 /nfs/dbraw/zinc/38/89/21/902388921.db2.gz HKXRHRHUCSVZRT-RHSMWYFYSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269293702 903668009 /nfs/dbraw/zinc/66/80/09/903668009.db2.gz ZVBLZKMCCAQDKA-CABCVRRESA-N 2 0 279.428 1.129 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001269489088 903854878 /nfs/dbraw/zinc/85/48/78/903854878.db2.gz GSSVGAGZLTUPKG-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001269980074 904249370 /nfs/dbraw/zinc/24/93/70/904249370.db2.gz DLVGIIIJGIJZGQ-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001270605255 904784278 /nfs/dbraw/zinc/78/42/78/904784278.db2.gz XOCWKFFVQKPVAX-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001270624345 904834905 /nfs/dbraw/zinc/83/49/05/904834905.db2.gz OZMHEDRFRKNTNR-GOEBONIOSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001270744932 905009954 /nfs/dbraw/zinc/00/99/54/905009954.db2.gz RACZHIDQTVVDCK-ZBFHGGJFSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482323923 905014671 /nfs/dbraw/zinc/01/46/71/905014671.db2.gz NUONOBLBIHXYCL-IHRRRGAJSA-N 2 0 267.417 1.339 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001482344506 905138502 /nfs/dbraw/zinc/13/85/02/905138502.db2.gz NQTNFJCWSLJJME-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001271521673 906498764 /nfs/dbraw/zinc/49/87/64/906498764.db2.gz QWIKDIGMZLQNNL-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001567961666 1169095993 /nfs/dbraw/zinc/09/59/93/1169095993.db2.gz JVEFQKHNHZKIRE-SOUVJXGZSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001483376642 911008464 /nfs/dbraw/zinc/00/84/64/911008464.db2.gz KBROUFZHXNOHNZ-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001483420474 911092008 /nfs/dbraw/zinc/09/20/08/911092008.db2.gz LNPHZWYCJINZCU-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001484511997 915833188 /nfs/dbraw/zinc/83/31/88/915833188.db2.gz NMEKKJSRJXBKSQ-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001484620031 915956814 /nfs/dbraw/zinc/95/68/14/915956814.db2.gz IORBSYUFVIHYMR-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001484743187 916106735 /nfs/dbraw/zinc/10/67/35/916106735.db2.gz YOXAHWVDEWDRQV-INIZCTEOSA-N 2 0 293.455 1.685 10 30 CDEERP C[C@H](CCNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC000181378391 916127694 /nfs/dbraw/zinc/12/76/94/916127694.db2.gz AEWJMTDRJPWIRH-KGLIPLIRSA-N 2 0 282.432 1.334 10 30 CDEERP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])NC2CCCCC2)C1 ZINC000303888948 935047117 /nfs/dbraw/zinc/04/71/17/935047117.db2.gz LSUNBXUXOCWWEN-CYBMUJFWSA-N 2 0 266.433 1.955 10 30 CDEERP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001485666537 917162080 /nfs/dbraw/zinc/16/20/80/917162080.db2.gz OEKDZHKBSWCIFH-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568273984 1169216177 /nfs/dbraw/zinc/21/61/77/1169216177.db2.gz QVPRWLURCJFDGF-BFHYXJOUSA-N 2 0 267.417 1.339 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001486392364 920975461 /nfs/dbraw/zinc/97/54/61/920975461.db2.gz ZHNHOGLYVMTOAS-ZIAGYGMSSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001273610828 922281660 /nfs/dbraw/zinc/28/16/60/922281660.db2.gz QQUYZVLVZJZRDX-MRXNPFEDSA-N 2 0 299.434 1.823 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001491022864 936843256 /nfs/dbraw/zinc/84/32/56/936843256.db2.gz HPCFOVXTMSITRT-ZNMIVQPWSA-N 2 0 277.412 1.121 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001491029043 936844391 /nfs/dbraw/zinc/84/43/91/936844391.db2.gz ZQCOYZKLHDVHFC-GASCZTMLSA-N 2 0 291.439 1.675 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001491169733 936868551 /nfs/dbraw/zinc/86/85/51/936868551.db2.gz QUNRHUPAVHHVMV-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001568390097 1169270056 /nfs/dbraw/zinc/27/00/56/1169270056.db2.gz CTGKWKNYHNDSCE-HNNXBMFYSA-N 2 0 288.395 1.267 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001568417428 1169278616 /nfs/dbraw/zinc/27/86/16/1169278616.db2.gz XOIPFOLXISQRQY-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001490345251 927100959 /nfs/dbraw/zinc/10/09/59/927100959.db2.gz YSUWSIRNVVZWHY-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001490388589 927145181 /nfs/dbraw/zinc/14/51/81/927145181.db2.gz YGABUTQGXYSLOI-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001490708236 927294389 /nfs/dbraw/zinc/29/43/89/927294389.db2.gz AQUZCKKLWSBVNY-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)Cc1c[nH]cn1 ZINC001274792897 931580252 /nfs/dbraw/zinc/58/02/52/931580252.db2.gz TWBCTDDXNBSRCY-NSHDSACASA-N 2 0 250.346 1.013 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001274818601 931587633 /nfs/dbraw/zinc/58/76/33/931587633.db2.gz OCUASQCCLNWHOE-CYBMUJFWSA-N 2 0 279.428 1.367 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001274968505 931620279 /nfs/dbraw/zinc/62/02/79/931620279.db2.gz XYGJEMZUEUCZOZ-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275558778 931876692 /nfs/dbraw/zinc/87/66/92/931876692.db2.gz FOTDNKHCRJHULW-BFHYXJOUSA-N 2 0 267.417 1.339 10 30 CDEERP CC#CC[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001275623482 931912392 /nfs/dbraw/zinc/91/23/92/931912392.db2.gz DIUOXVUGAHCRLY-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001277193423 942158380 /nfs/dbraw/zinc/15/83/80/942158380.db2.gz GQGVOLQUUWIVNH-SOUVJXGZSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH+]1CC=C(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001279696198 942401691 /nfs/dbraw/zinc/40/16/91/942401691.db2.gz UGTILPFPLSLFJV-UHFFFAOYSA-N 2 0 279.428 1.651 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001281509080 942587377 /nfs/dbraw/zinc/58/73/77/942587377.db2.gz RKDOUHZVYOGIHF-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001281890547 942629006 /nfs/dbraw/zinc/62/90/06/942629006.db2.gz RGQIJYZQXRPEHS-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001282243177 942682934 /nfs/dbraw/zinc/68/29/34/942682934.db2.gz VALWTKRZZZRHPK-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001277473809 942741185 /nfs/dbraw/zinc/74/11/85/942741185.db2.gz JPUSQUCEMCFQFZ-QGZVFWFLSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)Cc2[nH]cnc2C)C1 ZINC001282739837 942747963 /nfs/dbraw/zinc/74/79/63/942747963.db2.gz WGXWTDQRFJCYRR-LBPRGKRZSA-N 2 0 290.411 1.663 10 30 CDEERP CC#CC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001283340293 942880939 /nfs/dbraw/zinc/88/09/39/942880939.db2.gz HTQCRHPNRGWJEY-MRXNPFEDSA-N 2 0 293.455 1.519 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001277577078 943029303 /nfs/dbraw/zinc/02/93/03/943029303.db2.gz PALLOEJKZPFWFI-OAHLLOKOSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CC1(C)C ZINC001284326494 943149197 /nfs/dbraw/zinc/14/91/97/943149197.db2.gz XQLHXUUOHXAUEA-LSDHHAIUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277725798 943421255 /nfs/dbraw/zinc/42/12/55/943421255.db2.gz BXCGAKCLYFCTNQ-CABCVRRESA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001263851583 944003797 /nfs/dbraw/zinc/00/37/97/944003797.db2.gz PHEPTHZNFTUXTK-IYBDPMFKSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001277937972 944127136 /nfs/dbraw/zinc/12/71/36/944127136.db2.gz MADSDLJFHCNVNU-CJNGLKHVSA-N 2 0 297.418 1.269 10 30 CDEERP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001265200353 944268072 /nfs/dbraw/zinc/26/80/72/944268072.db2.gz PNKVYXHMIGCKOM-OAHLLOKOSA-N 2 0 279.428 1.273 10 30 CDEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001265365691 944360361 /nfs/dbraw/zinc/36/03/61/944360361.db2.gz DHBXJRQTQHEDQY-CVEARBPZSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265543948 944423701 /nfs/dbraw/zinc/42/37/01/944423701.db2.gz XHTICRDMOGRGFG-BETUJISGSA-N 2 0 265.401 1.284 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001265682774 944468440 /nfs/dbraw/zinc/46/84/40/944468440.db2.gz YESYHEXTCALKGP-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001265895015 944561873 /nfs/dbraw/zinc/56/18/73/944561873.db2.gz BWVJSBJNRILWSC-KBPBESRZSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001479724526 971383277 /nfs/dbraw/zinc/38/32/77/971383277.db2.gz OGAGOPMSCQDWFM-QLFBSQMISA-N 2 0 281.444 1.728 10 30 CDEERP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001480331617 971674582 /nfs/dbraw/zinc/67/45/82/971674582.db2.gz HRNTWDOGHZUMNL-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC1(C)C ZINC001278685016 951686902 /nfs/dbraw/zinc/68/69/02/951686902.db2.gz QDENRPRVPLQORE-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001480596894 971799886 /nfs/dbraw/zinc/79/98/86/971799886.db2.gz MUNBFAZYNMQLRO-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480674171 971833785 /nfs/dbraw/zinc/83/37/85/971833785.db2.gz KUHHGCKMWIQSPG-CYBMUJFWSA-N 2 0 297.830 1.273 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC001324497827 953417782 /nfs/dbraw/zinc/41/77/82/953417782.db2.gz OEORFWSAZJRCJC-ZBFHGGJFSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001493061162 971934509 /nfs/dbraw/zinc/93/45/09/971934509.db2.gz BAKJQOIICBUXEZ-MRXNPFEDSA-N 2 0 289.423 1.913 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001569173439 1169702079 /nfs/dbraw/zinc/70/20/79/1169702079.db2.gz FPXAKCAPEOWTFQ-HOTGVXAUSA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001326305427 954311574 /nfs/dbraw/zinc/31/15/74/954311574.db2.gz UKLACDCFZHNNFE-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001326603300 954450717 /nfs/dbraw/zinc/45/07/17/954450717.db2.gz KRLPJNNSYHHLBB-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001326760385 954532377 /nfs/dbraw/zinc/53/23/77/954532377.db2.gz ANKXHQIRCGCYIH-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001326835658 954583156 /nfs/dbraw/zinc/58/31/56/954583156.db2.gz WFKAVGRLCFVUOX-UHFFFAOYSA-N 2 0 279.428 1.675 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001328050588 955174474 /nfs/dbraw/zinc/17/44/74/955174474.db2.gz OSHWJQVHEKGKIY-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)Cc1c[nH]cn1 ZINC001328413084 955289409 /nfs/dbraw/zinc/28/94/09/955289409.db2.gz AFTAFOSAOXCQCF-NSHDSACASA-N 2 0 250.346 1.013 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491886823 955493301 /nfs/dbraw/zinc/49/33/01/955493301.db2.gz QFQKJMKMSZTKRP-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001328915590 955552472 /nfs/dbraw/zinc/55/24/72/955552472.db2.gz OYZFCMZKCDPBNB-UHFFFAOYSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001329197913 955750402 /nfs/dbraw/zinc/75/04/02/955750402.db2.gz WRIMZUHNHCBBAN-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001330977716 956734515 /nfs/dbraw/zinc/73/45/15/956734515.db2.gz SVKIGNNDFWWPGY-CQSZACIVSA-N 2 0 267.417 1.533 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317045814 957222830 /nfs/dbraw/zinc/22/28/30/957222830.db2.gz RLFKPBKUMVGKIZ-HOTGVXAUSA-N 2 0 291.439 1.132 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001317321690 957423036 /nfs/dbraw/zinc/42/30/36/957423036.db2.gz HVJGXEHHDAKZBG-LSDHHAIUSA-N 2 0 297.418 1.128 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001317336414 957428232 /nfs/dbraw/zinc/42/82/32/957428232.db2.gz IIGXYULTRRHUGQ-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001425416128 957529871 /nfs/dbraw/zinc/52/98/71/957529871.db2.gz JLXYBBSTBLASDR-AVGNSLFASA-N 2 0 287.835 1.564 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001425683317 957598365 /nfs/dbraw/zinc/59/83/65/957598365.db2.gz NJHRKBHBMCQFHV-NEPJUHHUSA-N 2 0 273.808 1.127 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001317943431 957822962 /nfs/dbraw/zinc/82/29/62/957822962.db2.gz KHRVEVOBAPLTQV-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001318169800 957957572 /nfs/dbraw/zinc/95/75/72/957957572.db2.gz UTDKRDOETGGACM-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001494775837 972306549 /nfs/dbraw/zinc/30/65/49/972306549.db2.gz XAHNRCCVNQROEW-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001318282186 958017386 /nfs/dbraw/zinc/01/73/86/958017386.db2.gz VOQIUVBPWPQAFA-ILXRZTDVSA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001318590281 958187219 /nfs/dbraw/zinc/18/72/19/958187219.db2.gz DYWLZMOYDGOUEB-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001494864756 972327019 /nfs/dbraw/zinc/32/70/19/972327019.db2.gz VAUNSMHKFVFYEL-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC001319372082 958522322 /nfs/dbraw/zinc/52/23/22/958522322.db2.gz DEQBBSUDWHIZNV-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001319473009 958582658 /nfs/dbraw/zinc/58/26/58/958582658.db2.gz NDZHANUQBZORCN-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001319821199 958737808 /nfs/dbraw/zinc/73/78/08/958737808.db2.gz ZTTDYGKDBLHVQV-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001333995777 958750925 /nfs/dbraw/zinc/75/09/25/958750925.db2.gz SONMSMJJKCQHHB-CQSZACIVSA-N 2 0 265.401 1.191 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001495095454 972406542 /nfs/dbraw/zinc/40/65/42/972406542.db2.gz WIOILKHOMFPDIJ-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001495095457 972407042 /nfs/dbraw/zinc/40/70/42/972407042.db2.gz WIOILKHOMFPDIJ-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001371359805 972486757 /nfs/dbraw/zinc/48/67/57/972486757.db2.gz AXEHNJGLEQBZGV-CMPLNLGQSA-N 2 0 273.808 1.175 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001420784916 963240681 /nfs/dbraw/zinc/24/06/81/963240681.db2.gz MLYAZTCVBQDYAG-CHWSQXEVSA-N 2 0 287.835 1.564 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001341633966 963490755 /nfs/dbraw/zinc/49/07/55/963490755.db2.gz LLHPNUGXQVGCJU-QNMSZWNNSA-N 2 0 265.401 1.411 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001421449917 963612169 /nfs/dbraw/zinc/61/21/69/963612169.db2.gz MYALEHIGEPLOGJ-AAEUAGOBSA-N 2 0 287.835 1.565 10 30 CDEERP C=C(C[NH+](C)C)C(=O)Nc1c[nH+]ccc1-n1ccnc1C ZINC001543797426 967319326 /nfs/dbraw/zinc/31/93/26/967319326.db2.gz ROEQFEZNRMRQIS-UHFFFAOYSA-N 2 0 285.351 1.632 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001522169938 970405926 /nfs/dbraw/zinc/40/59/26/970405926.db2.gz CGQAGTWLEXNUOR-VXGBXAGGSA-N 2 0 251.374 1.071 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001496756711 973084923 /nfs/dbraw/zinc/08/49/23/973084923.db2.gz OXFOKWWMJWFYSG-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C[NH+]1CCCC1 ZINC001373824403 973658148 /nfs/dbraw/zinc/65/81/48/973658148.db2.gz FVWQEWMZQJSQBM-GFCCVEGCSA-N 2 0 273.808 1.319 10 30 CDEERP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001499618682 974275547 /nfs/dbraw/zinc/27/55/47/974275547.db2.gz FOBBAQCKMJPFAO-QGZVFWFLSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001499845005 974313278 /nfs/dbraw/zinc/31/32/78/974313278.db2.gz TYQGTYCTQWDRGZ-LSDHHAIUSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001502836465 974792467 /nfs/dbraw/zinc/79/24/67/974792467.db2.gz PQAHATQMSYNYDW-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001505462310 974887424 /nfs/dbraw/zinc/88/74/24/974887424.db2.gz OKYZHTJRFUHFBP-HNNXBMFYSA-N 2 0 277.412 1.028 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001506014907 975085177 /nfs/dbraw/zinc/08/51/77/975085177.db2.gz KUYGFYVZLDHYEJ-JKSUJKDBSA-N 2 0 293.455 1.709 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001506651510 975198005 /nfs/dbraw/zinc/19/80/05/975198005.db2.gz USSSXSKJRICPKG-UKRRQHHQSA-N 2 0 281.444 1.585 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001507322360 975416159 /nfs/dbraw/zinc/41/61/59/975416159.db2.gz SHXRMGYUJWMFBP-KGLIPLIRSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001378706588 975451452 /nfs/dbraw/zinc/45/14/52/975451452.db2.gz YDQBJERUKRXJBU-YIYPIFLZSA-N 2 0 299.846 1.373 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001507451388 975474621 /nfs/dbraw/zinc/47/46/21/975474621.db2.gz QMGWFPILQDENLC-GJZGRUSLSA-N 2 0 295.471 1.975 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001508115819 975615403 /nfs/dbraw/zinc/61/54/03/975615403.db2.gz UHIZCEMJWXQOLL-SLTAFYQDSA-N 2 0 279.428 1.626 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401876372 975964941 /nfs/dbraw/zinc/96/49/41/975964941.db2.gz SXVPOHOPVLYKJX-TZMCWYRMSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001391324186 976812834 /nfs/dbraw/zinc/81/28/34/976812834.db2.gz DRBQKOUAGYQWJD-ZIAGYGMSSA-N 2 0 299.846 1.519 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001381432453 976824523 /nfs/dbraw/zinc/82/45/23/976824523.db2.gz GKQVOXFWNTUPDZ-NWDGAFQWSA-N 2 0 275.824 1.564 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001400798693 977195351 /nfs/dbraw/zinc/19/53/51/977195351.db2.gz GUBIFWRANKGVLH-KGLIPLIRSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001570101022 1170079647 /nfs/dbraw/zinc/07/96/47/1170079647.db2.gz ZMEBUYVLAYNXRW-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001570905766 1170315579 /nfs/dbraw/zinc/31/55/79/1170315579.db2.gz ZNSALPQUNYWDNF-CQSZACIVSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[N@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001571044328 1170330424 /nfs/dbraw/zinc/33/04/24/1170330424.db2.gz YBIWIHSMVSYMRL-UHFFFAOYSA-N 2 0 291.439 1.439 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001571182172 1170344357 /nfs/dbraw/zinc/34/43/57/1170344357.db2.gz YJALQTBMNGTUDP-VGWMRTNUSA-N 2 0 291.439 1.224 10 30 CDEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001571314833 1170363553 /nfs/dbraw/zinc/36/35/53/1170363553.db2.gz NCLFLZAQSJTIDS-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001571335351 1170371618 /nfs/dbraw/zinc/37/16/18/1170371618.db2.gz FJBTXBOHNIIPIN-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[N@H+]1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001571698620 1170527542 /nfs/dbraw/zinc/52/75/42/1170527542.db2.gz LRZXXFRUXJXCPJ-UHFFFAOYSA-N 2 0 291.439 1.490 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001656222738 1171794978 /nfs/dbraw/zinc/79/49/78/1171794978.db2.gz XRQLSOSMDOEBLN-HDJSIYSDSA-N 2 0 279.428 1.082 10 30 CDEERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)[C@@H]2CCC[C@H]21 ZINC000586789960 342469171 /nfs/dbraw/zinc/46/91/71/342469171.db2.gz VBQGLNXOPZSLQC-HRCADAONSA-N 2 0 276.428 1.437 10 30 CDEERP C[NH2+]CCC1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594439115 342906808 /nfs/dbraw/zinc/90/68/08/342906808.db2.gz OIVDKFRCSJYCEP-CQSZACIVSA-N 2 0 280.416 1.246 10 30 CDEERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441583 342907513 /nfs/dbraw/zinc/90/75/13/342907513.db2.gz SWBRDSATEQSUEW-CABCVRRESA-N 2 0 294.443 1.778 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000594449021 342909392 /nfs/dbraw/zinc/90/93/92/342909392.db2.gz CBVOMYZWGYJCOJ-KBPBESRZSA-N 2 0 286.379 1.314 10 30 CDEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000595058375 343000645 /nfs/dbraw/zinc/00/06/45/343000645.db2.gz AORKPQLKWFFVKK-RRFJBIMHSA-N 2 0 266.433 1.540 10 30 CDEERP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(C#N)nc1 ZINC000596359839 343310028 /nfs/dbraw/zinc/31/00/28/343310028.db2.gz GIJWNZCDLGWITN-ZDUSSCGKSA-N 2 0 275.400 1.637 10 30 CDEERP C[N@@H+]1CCC[C@H]2CN(Cc3ccnc(C#N)c3)CC[C@@H]21 ZINC000166641117 360203724 /nfs/dbraw/zinc/20/37/24/360203724.db2.gz OSSPTQAFQFLIAK-HOCLYGCPSA-N 2 0 270.380 1.869 10 30 CDEERP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001661073907 1172330755 /nfs/dbraw/zinc/33/07/55/1172330755.db2.gz VBZLQQXYSHLNBZ-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001661157374 1172344571 /nfs/dbraw/zinc/34/45/71/1172344571.db2.gz RHUGTRGRJSLOQI-CWRNSKLLSA-N 2 0 293.455 1.777 10 30 CDEERP CN1CC[NH+]=C1NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000262675034 370448895 /nfs/dbraw/zinc/44/88/95/370448895.db2.gz STQOAVNINIOTSQ-KRWDZBQOSA-N 2 0 286.423 1.932 10 30 CDEERP C=CCN1CC[C@H](N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1=O ZINC000420381177 376344008 /nfs/dbraw/zinc/34/40/08/376344008.db2.gz CJKPURPCJVUJBQ-ILXRZTDVSA-N 2 0 277.412 1.237 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CCC[NH2+]1 ZINC000639030405 377302247 /nfs/dbraw/zinc/30/22/47/377302247.db2.gz UTVYDKWLNKQWGY-YRGRVCCFSA-N 2 0 251.374 1.071 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000161302955 377565939 /nfs/dbraw/zinc/56/59/39/377565939.db2.gz SGNRBOMHJDHAGO-HOCLYGCPSA-N 2 0 291.439 1.177 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H](C[NH3+])C2CCCCC2)CCC[NH2+]1 ZINC000662419013 412993841 /nfs/dbraw/zinc/99/38/41/412993841.db2.gz ZHAULOKTATUFDM-ZBFHGGJFSA-N 2 0 279.428 1.709 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001663381857 1172684978 /nfs/dbraw/zinc/68/49/78/1172684978.db2.gz SPLXMJBWDHTSQJ-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C[N@@H+]1CC[C@@]2(CC[NH+](CCCSCC#N)C2)C1 ZINC000368317623 390945330 /nfs/dbraw/zinc/94/53/30/390945330.db2.gz MZZWQHGICWPSKU-CYBMUJFWSA-N 2 0 253.415 1.661 10 30 CDEERP CNC(NC[C@H]1CCC[N@@H+]1C1CCCCC1)=[NH+]C ZINC000366837630 391078384 /nfs/dbraw/zinc/07/83/84/391078384.db2.gz XVLWNRASKMTBAO-CYBMUJFWSA-N 2 0 252.406 1.578 10 30 CDEERP C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000649336482 392060485 /nfs/dbraw/zinc/06/04/85/392060485.db2.gz ZDWGPZSVTWPRKV-HUUCEWRRSA-N 2 0 270.417 1.356 10 30 CDEERP C=C(C)C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001663753460 1172755218 /nfs/dbraw/zinc/75/52/18/1172755218.db2.gz FWROIVRIWFOWHN-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001664392067 1172847148 /nfs/dbraw/zinc/84/71/48/1172847148.db2.gz XDGOECUKGKYFPR-UHFFFAOYSA-N 2 0 287.407 1.433 10 30 CDEERP C=CC[C@@]1(C(=O)NCC2([NH+](C)C)CCCC2)CCC[NH2+]1 ZINC000662661790 413266923 /nfs/dbraw/zinc/26/69/23/413266923.db2.gz INJSDDVHSHRNEM-INIZCTEOSA-N 2 0 279.428 1.675 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001664687163 1172884966 /nfs/dbraw/zinc/88/49/66/1172884966.db2.gz PYQGIRUTADUYQS-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000662701836 413347841 /nfs/dbraw/zinc/34/78/41/413347841.db2.gz VNJPVQYCQBZGPW-DOTOQJQBSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)CCC[NH2+]1 ZINC000662748543 413428258 /nfs/dbraw/zinc/42/82/58/413428258.db2.gz AVFTZSCGUMMSBQ-GOEBONIOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000662769953 413465703 /nfs/dbraw/zinc/46/57/03/413465703.db2.gz MCYUWFVNDLQBJV-MBNYWOFBSA-N 2 0 251.374 1.071 10 30 CDEERP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC001666838814 1173189304 /nfs/dbraw/zinc/18/93/04/1173189304.db2.gz UXRAMMKGARVTIO-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[C@@]1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662720213 424374220 /nfs/dbraw/zinc/37/42/20/424374220.db2.gz WBZVCGJHEPEVBI-ZBFHGGJFSA-N 2 0 277.412 1.380 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001667508241 1173278937 /nfs/dbraw/zinc/27/89/37/1173278937.db2.gz HKCSGFBXOZDYNL-CABCVRRESA-N 2 0 279.428 1.082 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001668326705 1173398145 /nfs/dbraw/zinc/39/81/45/1173398145.db2.gz UQNWBRIFLCBWTH-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001668652465 1173435492 /nfs/dbraw/zinc/43/54/92/1173435492.db2.gz QFKYWOTWUGJUOJ-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001669904100 1173627357 /nfs/dbraw/zinc/62/73/57/1173627357.db2.gz GFKOKNNIURLIIP-OAHLLOKOSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001671518224 1173685769 /nfs/dbraw/zinc/68/57/69/1173685769.db2.gz DEGDOSVJRSCLOO-JKSUJKDBSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001672328433 1173766210 /nfs/dbraw/zinc/76/62/10/1173766210.db2.gz NZJDSQYXYOFITQ-GJZGRUSLSA-N 2 0 279.428 1.036 10 30 CDEERP N#Cc1csc(C[NH2+]CC2CC[NH+](C3CC3)CC2)n1 ZINC000577547029 317353414 /nfs/dbraw/zinc/35/34/14/317353414.db2.gz RGOOJIDEPYASEC-UHFFFAOYSA-N 2 0 276.409 1.979 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001673434736 1173856075 /nfs/dbraw/zinc/85/60/75/1173856075.db2.gz SYSZKNFNQQPYHM-INIZCTEOSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001673898872 1173894761 /nfs/dbraw/zinc/89/47/61/1173894761.db2.gz XWUOUDJPYCHXBJ-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCOc1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1Cl ZINC000263288535 330051683 /nfs/dbraw/zinc/05/16/83/330051683.db2.gz VKJXHNHRTGXOHQ-TZMCWYRMSA-N 2 0 296.798 1.575 10 30 CDEERP C=C[C@H](C)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422986689 330162912 /nfs/dbraw/zinc/16/29/12/330162912.db2.gz DFFIRGGKZKYIMA-NWDGAFQWSA-N 2 0 254.374 1.472 10 30 CDEERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528399514 330255708 /nfs/dbraw/zinc/25/57/08/330255708.db2.gz YZKQZBXGFNYYKO-HZPDHXFCSA-N 2 0 291.439 1.705 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001270913500 1160229156 /nfs/dbraw/zinc/22/91/56/1160229156.db2.gz JXJWMNDNFSOLDF-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001484011870 1161245839 /nfs/dbraw/zinc/24/58/39/1161245839.db2.gz DPDJQVYXSIFYFN-HNNXBMFYSA-N 2 0 291.439 1.533 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001714861447 1179424785 /nfs/dbraw/zinc/42/47/85/1179424785.db2.gz HAAZVDKGNNTXPW-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001725475904 1182014023 /nfs/dbraw/zinc/01/40/23/1182014023.db2.gz WPOLSZAWTTVJFV-CQSZACIVSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001731795784 1182588293 /nfs/dbraw/zinc/58/82/93/1182588293.db2.gz VPBIXXLUZQAHPH-UHFFFAOYSA-N 2 0 253.390 1.096 10 30 CDEERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(C#CC[NH3+])c1 ZINC000049609844 523508306 /nfs/dbraw/zinc/50/83/06/523508306.db2.gz IEMAHSFRXKIKNA-WMLDXEAASA-N 2 0 272.392 1.996 10 30 CDEERP C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000939316002 612969661 /nfs/dbraw/zinc/96/96/61/612969661.db2.gz PMQKGSMLZQVDEL-WMLDXEAASA-N 2 0 299.418 1.432 10 30 CDEERP C#CC[C@@H](COC)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000862548364 620736951 /nfs/dbraw/zinc/73/69/51/620736951.db2.gz DKLUUYFRCCPJDB-AWEZNQCLSA-N 2 0 252.402 1.877 10 30 CDEERP C#CC[NH+]1CCC(Nc2ncnc3[nH]ccc32)CC1 ZINC000895806993 619854725 /nfs/dbraw/zinc/85/47/25/619854725.db2.gz HVWRAQKWYLXPON-UHFFFAOYSA-N 2 0 255.325 1.467 10 30 CDEERP 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 622901320 /nfs/dbraw/zinc/90/13/20/622901320.db2.gz IAASODYPALUVQD-LZWOXQAQSA-N 2 0 295.471 1.977 10 30 CDEERP C#CCC[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001691146023 1158932903 /nfs/dbraw/zinc/93/29/03/1158932903.db2.gz LMPZRBPENLBSMO-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691180558 1158948190 /nfs/dbraw/zinc/94/81/90/1158948190.db2.gz FAVDPDIRVDGUMR-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001717214526 1158473554 /nfs/dbraw/zinc/47/35/54/1158473554.db2.gz ZHZSGRODXPOXPJ-UHFFFAOYSA-N 2 0 265.401 1.049 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@H]1C ZINC001725686887 1159265230 /nfs/dbraw/zinc/26/52/30/1159265230.db2.gz WKKGLOCORDLZPD-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691508588 1160144005 /nfs/dbraw/zinc/14/40/05/1160144005.db2.gz BHBQBIFTZHFILL-SHTZXODSSA-N 2 0 289.423 1.123 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC001626750941 1165956504 /nfs/dbraw/zinc/95/65/04/1165956504.db2.gz NCFXRHLYHRRXKJ-MRXNPFEDSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001568312403 1169239544 /nfs/dbraw/zinc/23/95/44/1169239544.db2.gz LFNUHBKYPQCCHC-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001568969945 1169568596 /nfs/dbraw/zinc/56/85/96/1169568596.db2.gz RFTAGBRVXWPSFY-KIUWMYQTSA-N 2 0 279.428 1.699 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001569303104 1169755263 /nfs/dbraw/zinc/75/52/63/1169755263.db2.gz JHYIHNLAMZJMSZ-HOTGVXAUSA-N 2 0 291.439 1.389 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001571192254 1170344846 /nfs/dbraw/zinc/34/48/46/1170344846.db2.gz IREZUGXABJUVDL-HDJSIYSDSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001671252275 1171244669 /nfs/dbraw/zinc/24/46/69/1171244669.db2.gz VTEFJARURDGXJM-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001656997689 1171913272 /nfs/dbraw/zinc/91/32/72/1171913272.db2.gz GLTKRYRNKRQPAD-ILXRZTDVSA-N 2 0 279.428 1.319 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001666551940 1173151052 /nfs/dbraw/zinc/15/10/52/1173151052.db2.gz AKJXKDMRMUFROI-RBSFLKMASA-N 2 0 281.444 1.635 10 30 CDEERP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001667393671 1173262653 /nfs/dbraw/zinc/26/26/53/1173262653.db2.gz ORHZAZYZYOUELL-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001690874979 1175597987 /nfs/dbraw/zinc/59/79/87/1175597987.db2.gz XYJAJGYPJMMZEA-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]CCCCCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001692161556 1175686452 /nfs/dbraw/zinc/68/64/52/1175686452.db2.gz JYWVTMYBHMSEKH-UHFFFAOYSA-N 2 0 291.439 1.324 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001692169840 1175689856 /nfs/dbraw/zinc/68/98/56/1175689856.db2.gz QBPOJIDOLSCKMD-OCCSQVGLSA-N 2 0 265.401 1.236 10 30 CDEERP C=CCC[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001692338113 1175741763 /nfs/dbraw/zinc/74/17/63/1175741763.db2.gz UXRHVBNAUVXMDH-UHFFFAOYSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001692344655 1175744384 /nfs/dbraw/zinc/74/43/84/1175744384.db2.gz XVGHFQFJIWRHMV-AWEZNQCLSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001698877485 1175974752 /nfs/dbraw/zinc/97/47/52/1175974752.db2.gz DKUGEUQZPDLWDF-OAHLLOKOSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001698996853 1176025088 /nfs/dbraw/zinc/02/50/88/1176025088.db2.gz FOMJPBPZPRNIEF-INIZCTEOSA-N 2 0 293.455 1.663 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001699738359 1176597946 /nfs/dbraw/zinc/59/79/46/1176597946.db2.gz KYSAMSFVNGONTP-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001699967705 1176700765 /nfs/dbraw/zinc/70/07/65/1176700765.db2.gz BESDSXVBZGBGGH-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001700675779 1177070012 /nfs/dbraw/zinc/07/00/12/1177070012.db2.gz OKRFNQOHHAXFHC-AWEZNQCLSA-N 2 0 281.444 1.472 10 30 CDEERP C=CC[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001700869559 1177170963 /nfs/dbraw/zinc/17/09/63/1177170963.db2.gz VIJUFRJCCAZFKX-ZBFHGGJFSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001707264399 1177987746 /nfs/dbraw/zinc/98/77/46/1177987746.db2.gz PUPFUBIKTIQKKL-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001723408495 1178120988 /nfs/dbraw/zinc/12/09/88/1178120988.db2.gz XOONFDKGYNXJHF-KBPBESRZSA-N 2 0 265.401 1.237 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001713134543 1178388031 /nfs/dbraw/zinc/38/80/31/1178388031.db2.gz PECSFTFOQRNQPY-JKSUJKDBSA-N 2 0 293.455 1.685 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001713135520 1178389277 /nfs/dbraw/zinc/38/92/77/1178389277.db2.gz LPFHWPFYOMQUAJ-CVEARBPZSA-N 2 0 291.439 1.132 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CCCF)CC1 ZINC001713423193 1178552527 /nfs/dbraw/zinc/55/25/27/1178552527.db2.gz KUAKQHCHDBVMOX-CQSZACIVSA-N 2 0 297.418 1.176 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001713609584 1178679826 /nfs/dbraw/zinc/67/98/26/1178679826.db2.gz MFVABRYXQGMQLJ-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@@H](C)CC)CC1 ZINC001713667101 1178703099 /nfs/dbraw/zinc/70/30/99/1178703099.db2.gz PNZBKIAJYIYFDK-HNNXBMFYSA-N 2 0 293.455 1.426 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001714020092 1178930637 /nfs/dbraw/zinc/93/06/37/1178930637.db2.gz FMKYVCWYFQOBOY-IYBDPMFKSA-N 2 0 291.439 1.513 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714239884 1179039273 /nfs/dbraw/zinc/03/92/73/1179039273.db2.gz XQPKTCOQTWFUJC-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714362390 1179104665 /nfs/dbraw/zinc/10/46/65/1179104665.db2.gz USTZQKARQWRBJZ-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714454640 1179146766 /nfs/dbraw/zinc/14/67/66/1179146766.db2.gz QNEISQBKADHDJD-OAHLLOKOSA-N 2 0 277.412 1.028 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001714473170 1179158904 /nfs/dbraw/zinc/15/89/04/1179158904.db2.gz OUIDYEZHXGQMRM-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001714539104 1179194582 /nfs/dbraw/zinc/19/45/82/1179194582.db2.gz FRVABNBCMKQEOL-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001714584970 1179241740 /nfs/dbraw/zinc/24/17/40/1179241740.db2.gz JUZPDGOOQLAIRH-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001714817405 1179409835 /nfs/dbraw/zinc/40/98/35/1179409835.db2.gz VJWOBUDYCGUZBK-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001715539851 1179708456 /nfs/dbraw/zinc/70/84/56/1179708456.db2.gz OTFQPYQABKOAIM-GJZGRUSLSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001715648268 1179752042 /nfs/dbraw/zinc/75/20/42/1179752042.db2.gz ZIVYBZFFUUHCDW-HUUCEWRRSA-N 2 0 281.444 1.635 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001715778015 1179801485 /nfs/dbraw/zinc/80/14/85/1179801485.db2.gz PRVWSRFUVSRAAA-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001715905133 1179907166 /nfs/dbraw/zinc/90/71/66/1179907166.db2.gz WJINQVVZGAZCON-ARJAWSKDSA-N 2 0 289.423 1.004 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716456400 1180220447 /nfs/dbraw/zinc/22/04/47/1180220447.db2.gz JQUVKLLQOZOMHA-ZDUSSCGKSA-N 2 0 275.396 1.642 10 30 CDEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001716678182 1180363182 /nfs/dbraw/zinc/36/31/82/1180363182.db2.gz YIUBQIDHCNOGRN-UONOGXRCSA-N 2 0 279.428 1.674 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001716696227 1180374735 /nfs/dbraw/zinc/37/47/35/1180374735.db2.gz AYRBEKOVPYPHGJ-UHFFFAOYSA-N 2 0 299.418 1.624 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001716777414 1180411347 /nfs/dbraw/zinc/41/13/47/1180411347.db2.gz LBGYUJZWCRGBGC-CABCVRRESA-N 2 0 277.412 1.073 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001716824508 1180425520 /nfs/dbraw/zinc/42/55/20/1180425520.db2.gz FAERSLYVVZGQRA-CVEARBPZSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001717129082 1180537944 /nfs/dbraw/zinc/53/79/44/1180537944.db2.gz YLZXEHFBYNEXND-UHFFFAOYSA-N 2 0 291.439 1.439 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001717285605 1180604688 /nfs/dbraw/zinc/60/46/88/1180604688.db2.gz GYFVZMHASKDHHT-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001717453065 1180678426 /nfs/dbraw/zinc/67/84/26/1180678426.db2.gz BIVJEEWSKQCZQL-LSDHHAIUSA-N 2 0 293.455 1.424 10 30 CDEERP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001717582454 1180748831 /nfs/dbraw/zinc/74/88/31/1180748831.db2.gz JWFSROBSXPUMSI-HNNXBMFYSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001717652184 1180775633 /nfs/dbraw/zinc/77/56/33/1180775633.db2.gz HHNBKVCQLIRNQB-VGWMRTNUSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001717693917 1180793562 /nfs/dbraw/zinc/79/35/62/1180793562.db2.gz AUMIXQTUKVGJCT-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001717722148 1180807154 /nfs/dbraw/zinc/80/71/54/1180807154.db2.gz DNFLUDUKVBJVHK-LSDHHAIUSA-N 2 0 279.428 1.082 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001717855859 1180895987 /nfs/dbraw/zinc/89/59/87/1180895987.db2.gz LMZNIDHZCASNSR-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001717879302 1180909401 /nfs/dbraw/zinc/90/94/01/1180909401.db2.gz NMWLQNFLCFRJJN-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001717894700 1180918402 /nfs/dbraw/zinc/91/84/02/1180918402.db2.gz WXTHZMDWFWJIKO-RBSFLKMASA-N 2 0 293.455 1.729 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001722904013 1181489732 /nfs/dbraw/zinc/48/97/32/1181489732.db2.gz CUVCFTBYKUXPHK-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001723435356 1181560177 /nfs/dbraw/zinc/56/01/77/1181560177.db2.gz VRLDKXDBOATMQW-AWEZNQCLSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001723517438 1181582280 /nfs/dbraw/zinc/58/22/80/1181582280.db2.gz KEJFADQAECYZBX-OAHLLOKOSA-N 2 0 291.439 1.533 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001724016210 1181630008 /nfs/dbraw/zinc/63/00/08/1181630008.db2.gz LSPTXKHXMDSMEJ-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001725122624 1181872588 /nfs/dbraw/zinc/87/25/88/1181872588.db2.gz WMGVCOICHQDMQZ-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725234144 1181931095 /nfs/dbraw/zinc/93/10/95/1181931095.db2.gz LPRWEHDNHSONTH-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001725289860 1181954522 /nfs/dbraw/zinc/95/45/22/1181954522.db2.gz MPIJBHGTXUGPDK-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001725397923 1181987188 /nfs/dbraw/zinc/98/71/88/1181987188.db2.gz ZFZVVVJTLNZVCH-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001725451178 1182005561 /nfs/dbraw/zinc/00/55/61/1182005561.db2.gz CWVCBHQETQIZDC-HZPDHXFCSA-N 2 0 293.455 1.759 10 30 CDEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725469998 1182011966 /nfs/dbraw/zinc/01/19/66/1182011966.db2.gz KKGRCGWGYKMOHP-HOCLYGCPSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001725498427 1182024679 /nfs/dbraw/zinc/02/46/79/1182024679.db2.gz IVWZDCKLEFEYDI-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001725637111 1182080644 /nfs/dbraw/zinc/08/06/44/1182080644.db2.gz QVXGDLPOLDHZCU-CABCVRRESA-N 2 0 289.423 1.123 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001725694326 1182099470 /nfs/dbraw/zinc/09/94/70/1182099470.db2.gz ZCWWLUJXZFKZIQ-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001731836273 1182616152 /nfs/dbraw/zinc/61/61/52/1182616152.db2.gz XVCCGKKTYHEWMJ-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC=C)CCC)CC1 ZINC001731873462 1182641340 /nfs/dbraw/zinc/64/13/40/1182641340.db2.gz IISAGYFSCFBQBI-UHFFFAOYSA-N 2 0 291.439 1.346 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001732041039 1182736761 /nfs/dbraw/zinc/73/67/61/1182736761.db2.gz DAHHANVRJAQLAN-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001732318067 1182904992 /nfs/dbraw/zinc/90/49/92/1182904992.db2.gz CLCNSJFPJIAHEN-HNNXBMFYSA-N 2 0 299.418 1.367 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001732563416 1183012081 /nfs/dbraw/zinc/01/20/81/1183012081.db2.gz SNLNGGQZQTVXGE-HZPDHXFCSA-N 2 0 293.455 1.635 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001733171192 1183315553 /nfs/dbraw/zinc/31/55/53/1183315553.db2.gz BHVZFXLHTWQCHI-HNNXBMFYSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001733200426 1183328368 /nfs/dbraw/zinc/32/83/68/1183328368.db2.gz QXRBDVQVBFIPLF-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001733335356 1183400430 /nfs/dbraw/zinc/40/04/30/1183400430.db2.gz IFTAEHDSCCGTES-LSDHHAIUSA-N 2 0 291.439 1.627 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001733334595 1183400708 /nfs/dbraw/zinc/40/07/08/1183400708.db2.gz AVTGJLOMPZUJBL-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001733902246 1183563263 /nfs/dbraw/zinc/56/32/63/1183563263.db2.gz UOZPFWAHAORCFK-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[C@H](C)[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001733958604 1183584919 /nfs/dbraw/zinc/58/49/19/1183584919.db2.gz XCSHGYMRDUIFTL-FHERZECASA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001734017900 1183615254 /nfs/dbraw/zinc/61/52/54/1183615254.db2.gz CSZJOTUHCDQAOC-HUUCEWRRSA-N 2 0 295.471 1.977 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001734039620 1183630133 /nfs/dbraw/zinc/63/01/33/1183630133.db2.gz NSRMXGMWMOBMBN-GFCCVEGCSA-N 2 0 293.436 1.493 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001734220111 1183696083 /nfs/dbraw/zinc/69/60/83/1183696083.db2.gz OAAYQSTZPKZQRZ-WKILWMFISA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001734350248 1183742995 /nfs/dbraw/zinc/74/29/95/1183742995.db2.gz GDXWNPQLJYKDRK-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001734432613 1183777619 /nfs/dbraw/zinc/77/76/19/1183777619.db2.gz NUQYRHFGPDEMOL-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000928658724 739346876 /nfs/dbraw/zinc/34/68/76/739346876.db2.gz ZURIDXKBPOXAQA-KKUMJFAQSA-N 2 0 291.439 1.462 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000876783308 739519102 /nfs/dbraw/zinc/51/91/02/739519102.db2.gz YZMFWHYFEIDHBB-JFUSQASVSA-N 2 0 271.792 1.055 10 30 CDEERP C=CC[C@@H](CO)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925628325 739839210 /nfs/dbraw/zinc/83/92/10/739839210.db2.gz CWBRNHBCVORJPF-MQYQWHSLSA-N 2 0 252.402 1.537 10 30 CDEERP C[C@H]1CNC(NN=C2CC[N@H+](Cc3ccccc3)C[C@H]2C)=[NH+]1 ZINC000779802570 740314380 /nfs/dbraw/zinc/31/43/80/740314380.db2.gz ITWQIZRNGLPIJB-KGLIPLIRSA-N 2 0 299.422 1.822 10 30 CDEERP N#Cc1cc(Cl)cc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923461417 740812603 /nfs/dbraw/zinc/81/26/03/740812603.db2.gz WUPQQEVMMDSPQX-UHFFFAOYSA-N 2 0 278.787 1.206 10 30 CDEERP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)CC1(C#N)CCC1 ZINC000931718526 741318394 /nfs/dbraw/zinc/31/83/94/741318394.db2.gz AJDQJCVWIKJSKE-ZNMIVQPWSA-N 2 0 277.412 1.600 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000852898529 739235170 /nfs/dbraw/zinc/23/51/70/739235170.db2.gz RXQZTEYLNZGVNU-HZPDHXFCSA-N 2 0 289.423 1.123 10 30 CDEERP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000852858829 739911820 /nfs/dbraw/zinc/91/18/20/739911820.db2.gz INCAGXJSHSEAQP-GJZGRUSLSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC1CC[NH+](CC)CC1 ZINC000876762154 739925301 /nfs/dbraw/zinc/92/53/01/739925301.db2.gz AGNJUTGBUPKPMB-ZDUSSCGKSA-N 2 0 287.835 1.695 10 30 CDEERP CC1(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC[NH2+]CC1 ZINC000867972204 741894832 /nfs/dbraw/zinc/89/48/32/741894832.db2.gz UXOMRXAXMCVQSL-HNNXBMFYSA-N 2 0 298.390 1.003 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001566806970 1168429756 /nfs/dbraw/zinc/42/97/56/1168429756.db2.gz SNDDMIBYOWQFNG-BZUAXINKSA-N 2 0 291.439 1.509 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001272543533 913403397 /nfs/dbraw/zinc/40/33/97/913403397.db2.gz FYLRKBUZOQVNPY-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001266325452 894396995 /nfs/dbraw/zinc/39/69/95/894396995.db2.gz NNAPQXYDXVCTGP-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001266359458 894559051 /nfs/dbraw/zinc/55/90/51/894559051.db2.gz VXTIEGAABFFVGL-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001266533487 895257143 /nfs/dbraw/zinc/25/71/43/895257143.db2.gz KQHMPDBDYOVTKV-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001267148186 896921082 /nfs/dbraw/zinc/92/10/82/896921082.db2.gz HZOHJEHRYJJAOG-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267218020 897183431 /nfs/dbraw/zinc/18/34/31/897183431.db2.gz VXYPYDOFMOUJTB-MRXNPFEDSA-N 2 0 297.418 1.270 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001267376595 897770852 /nfs/dbraw/zinc/77/08/52/897770852.db2.gz HEIDEUNHYIFNFH-INIZCTEOSA-N 2 0 297.402 1.163 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001272625135 914207246 /nfs/dbraw/zinc/20/72/46/914207246.db2.gz SDMRSMJFWSVUBF-CVEARBPZSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001267473717 898095803 /nfs/dbraw/zinc/09/58/03/898095803.db2.gz NRATXCLDTCHREX-OKILXGFUSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267568293 898392873 /nfs/dbraw/zinc/39/28/73/898392873.db2.gz IJCOOBCAOILQRI-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001481041597 898661236 /nfs/dbraw/zinc/66/12/36/898661236.db2.gz IJYDJCVANPEWFF-HUUCEWRRSA-N 2 0 299.434 1.823 10 30 CDEERP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001267718366 899369601 /nfs/dbraw/zinc/36/96/01/899369601.db2.gz HYKKSCCTYQFKQR-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]C[C@](C)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001267853816 899877230 /nfs/dbraw/zinc/87/72/30/899877230.db2.gz SDEZTXBWGYUIBD-INIZCTEOSA-N 2 0 288.395 1.240 10 30 CDEERP C#CC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001267933937 900003571 /nfs/dbraw/zinc/00/35/71/900003571.db2.gz OGDIFLGHKLCJGY-SHTZXODSSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001267947237 900023105 /nfs/dbraw/zinc/02/31/05/900023105.db2.gz NBLHGXWAKDSKFE-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001267992722 900213951 /nfs/dbraw/zinc/21/39/51/900213951.db2.gz VMGYGBRJGAXTDN-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001567714559 1168932967 /nfs/dbraw/zinc/93/29/67/1168932967.db2.gz OFOSRUWPRXHBHM-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC001268047355 900917965 /nfs/dbraw/zinc/91/79/65/900917965.db2.gz AFPBIZKQXXARKY-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001567742069 1168944105 /nfs/dbraw/zinc/94/41/05/1168944105.db2.gz KDISTPVWCQKZPU-RDJZCZTQSA-N 2 0 291.439 1.439 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001481892777 902273987 /nfs/dbraw/zinc/27/39/87/902273987.db2.gz YKADTTYWOKKIAH-ZDUSSCGKSA-N 2 0 265.401 1.285 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001481906021 902306788 /nfs/dbraw/zinc/30/67/88/902306788.db2.gz WWBLPGSHRKBICH-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001268674614 902936938 /nfs/dbraw/zinc/93/69/38/902936938.db2.gz WVMUFWQBILAYIZ-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268847766 903177717 /nfs/dbraw/zinc/17/77/17/903177717.db2.gz MYSUUSCZIIONHQ-INIZCTEOSA-N 2 0 299.434 1.823 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270487378 904673191 /nfs/dbraw/zinc/67/31/91/904673191.db2.gz XAAAOZKVLOXFPM-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001482339782 905108339 /nfs/dbraw/zinc/10/83/39/905108339.db2.gz VIVCIOPCKRGTGN-HOTGVXAUSA-N 2 0 293.455 1.709 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001270885457 905328395 /nfs/dbraw/zinc/32/83/95/905328395.db2.gz JRIWOXXNBJPXQT-HNNXBMFYSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001482437004 905407687 /nfs/dbraw/zinc/40/76/87/905407687.db2.gz XMUSPKCGXGAJNY-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001271750407 906769841 /nfs/dbraw/zinc/76/98/41/906769841.db2.gz JWKXNZLAXSIFAV-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001482602813 907854290 /nfs/dbraw/zinc/85/42/90/907854290.db2.gz HOXDMCXMTZKRFJ-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001483059987 909198360 /nfs/dbraw/zinc/19/83/60/909198360.db2.gz AWCORJRRGWNMEY-GEXIGZQTSA-N 2 0 265.401 1.166 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483060736 909199436 /nfs/dbraw/zinc/19/94/36/909199436.db2.gz OYLRBRBCZJFPCA-MWWKQMNYSA-N 2 0 297.418 1.647 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273017334 921563421 /nfs/dbraw/zinc/56/34/21/921563421.db2.gz HUSVQLQROQNABD-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483392555 911044500 /nfs/dbraw/zinc/04/45/00/911044500.db2.gz ABDLPZFJWHKJIJ-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001568064787 1169131500 /nfs/dbraw/zinc/13/15/00/1169131500.db2.gz OSDDBJTURKTRKL-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001483940904 915212968 /nfs/dbraw/zinc/21/29/68/915212968.db2.gz IJFVSBIQUMYDJT-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001493761356 915586492 /nfs/dbraw/zinc/58/64/92/915586492.db2.gz JAGRLPZXTFISEP-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001484466052 915792120 /nfs/dbraw/zinc/79/21/20/915792120.db2.gz RRSNLJMXOGKPMU-LSDHHAIUSA-N 2 0 277.412 1.027 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001484615933 915950694 /nfs/dbraw/zinc/95/06/94/915950694.db2.gz KCVPEUGWMSQGDR-BZUAXINKSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001485068671 916452721 /nfs/dbraw/zinc/45/27/21/916452721.db2.gz GTHHXLWHCIISLC-CABCVRRESA-N 2 0 279.428 1.273 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001485344131 916858456 /nfs/dbraw/zinc/85/84/56/916858456.db2.gz MQXAGADMUWQDDB-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001485388241 916938557 /nfs/dbraw/zinc/93/85/57/916938557.db2.gz LFRJKHAKJLUTNA-CQSZACIVSA-N 2 0 287.407 1.432 10 30 CDEERP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001485586865 917114692 /nfs/dbraw/zinc/11/46/92/917114692.db2.gz QTFADQWEAWJOQV-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272865135 919927040 /nfs/dbraw/zinc/92/70/40/919927040.db2.gz JWCBRTLCFYKFCW-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001273053073 921834286 /nfs/dbraw/zinc/83/42/86/921834286.db2.gz SUMKOCUZRVOWQQ-HZPDHXFCSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490925015 936831534 /nfs/dbraw/zinc/83/15/34/936831534.db2.gz WSZDCWCRSHCNAI-JOCQHMNTSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001490324145 927122261 /nfs/dbraw/zinc/12/22/61/927122261.db2.gz CKEJXYAJQNCYFQ-OAHLLOKOSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001490448790 927165040 /nfs/dbraw/zinc/16/50/40/927165040.db2.gz JOMCJXZEZZASIX-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001274279193 931487285 /nfs/dbraw/zinc/48/72/85/931487285.db2.gz DXIRLDDNCPZELQ-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001274819263 931587249 /nfs/dbraw/zinc/58/72/49/931587249.db2.gz XARIMOZRNRLIMX-GFCCVEGCSA-N 2 0 284.363 1.374 10 30 CDEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001144196922 931694131 /nfs/dbraw/zinc/69/41/31/931694131.db2.gz CCAZQCCNYXJGDI-INIZCTEOSA-N 2 0 293.455 1.897 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001275265811 931717199 /nfs/dbraw/zinc/71/71/99/931717199.db2.gz DTIVSGMPSUYVII-HZSPNIEDSA-N 2 0 267.417 1.530 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001275827979 932072920 /nfs/dbraw/zinc/07/29/20/932072920.db2.gz QETCCMBLZHJWQT-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001276052484 932477549 /nfs/dbraw/zinc/47/75/49/932477549.db2.gz JCRZZUGSXGVDRM-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC(N(C)CC(F)F)CC1 ZINC001148132158 932652124 /nfs/dbraw/zinc/65/21/24/932652124.db2.gz UWIJEKPNGHMZNH-UHFFFAOYSA-N 2 0 289.370 1.292 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001276588565 940392426 /nfs/dbraw/zinc/39/24/26/940392426.db2.gz JJUGTRKHKGSXEC-HZPDHXFCSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001276751257 940973564 /nfs/dbraw/zinc/97/35/64/940973564.db2.gz OLCXBAYXSYSQTE-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CC ZINC001276752727 940979744 /nfs/dbraw/zinc/97/97/44/940979744.db2.gz UXJRSBAPJARPHQ-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001277088321 941935243 /nfs/dbraw/zinc/93/52/43/941935243.db2.gz YYCSQVTYHZQMIR-VXGBXAGGSA-N 2 0 274.368 1.328 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001277258848 942252443 /nfs/dbraw/zinc/25/24/43/942252443.db2.gz CSTZEOUSCZFSOS-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568781649 1169473400 /nfs/dbraw/zinc/47/34/00/1169473400.db2.gz JZEKVBVEIGPAJN-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001281663258 942604809 /nfs/dbraw/zinc/60/48/09/942604809.db2.gz BRMYCSIZJHKYMR-UONOGXRCSA-N 2 0 279.428 1.626 10 30 CDEERP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001281912306 942630880 /nfs/dbraw/zinc/63/08/80/942630880.db2.gz LIKDNGJBHYZZBH-SJLPKXTDSA-N 2 0 299.418 1.332 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001282058176 942651385 /nfs/dbraw/zinc/65/13/85/942651385.db2.gz PABUXPIMRDUVIS-NFOMZHRRSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001282717808 942743963 /nfs/dbraw/zinc/74/39/63/942743963.db2.gz UWVKMSOXWJPTDC-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001283110231 942823557 /nfs/dbraw/zinc/82/35/57/942823557.db2.gz ASKXQXKGXMBTBH-SHTZXODSSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[N@H+](C)CCOCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001277515461 942889148 /nfs/dbraw/zinc/88/91/48/942889148.db2.gz XLEVLICQPPOVPK-HNNXBMFYSA-N 2 0 297.443 1.111 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283556431 942931641 /nfs/dbraw/zinc/93/16/41/942931641.db2.gz LWRYHDLSKZHSFO-GJZGRUSLSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001283617684 942949988 /nfs/dbraw/zinc/94/99/88/942949988.db2.gz KFJPDUROUYPSOU-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001264406454 944127680 /nfs/dbraw/zinc/12/76/80/944127680.db2.gz ZIQDPBZGRARKEP-IYBDPMFKSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001264437578 944136789 /nfs/dbraw/zinc/13/67/89/944136789.db2.gz CWLQOARNPVOPLT-RBSFLKMASA-N 2 0 281.444 1.633 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001264439467 944137080 /nfs/dbraw/zinc/13/70/80/944137080.db2.gz RMZDOQPPJWAMGO-WKILWMFISA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001265215922 944281131 /nfs/dbraw/zinc/28/11/31/944281131.db2.gz DWHDHQHHQOYWIK-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001265437847 944387586 /nfs/dbraw/zinc/38/75/86/944387586.db2.gz PVIANAXEJHMSKK-HNNXBMFYSA-N 2 0 291.439 1.772 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001265559927 944429273 /nfs/dbraw/zinc/42/92/73/944429273.db2.gz AFEAAVZDUHFEQY-QKPAOTATSA-N 2 0 291.439 1.816 10 30 CDEERP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265706740 944476118 /nfs/dbraw/zinc/47/61/18/944476118.db2.gz YXTQHERVLWIUQB-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001277987392 944522870 /nfs/dbraw/zinc/52/28/70/944522870.db2.gz HZNUCPICFNIYAT-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001278088625 944732306 /nfs/dbraw/zinc/73/23/06/944732306.db2.gz XDNHEHYEFMFKBP-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001278325158 946165500 /nfs/dbraw/zinc/16/55/00/946165500.db2.gz HQKHOKOQVMMRPI-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001479241582 971272728 /nfs/dbraw/zinc/27/27/28/971272728.db2.gz QVYVZXHBNJKGCM-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001479375031 971314444 /nfs/dbraw/zinc/31/44/44/971314444.db2.gz LPQGCJKLNDVFBB-KKUMJFAQSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001479580223 971343350 /nfs/dbraw/zinc/34/33/50/971343350.db2.gz FIYIGBWKCYDGEU-OAGGEKHMSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001278979069 948462157 /nfs/dbraw/zinc/46/21/57/948462157.db2.gz SISSYIIAHAFEEF-AWEZNQCLSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480486589 971751574 /nfs/dbraw/zinc/75/15/74/971751574.db2.gz OJKZIICUMOSNBJ-ZDUSSCGKSA-N 2 0 299.846 1.709 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480646601 971824949 /nfs/dbraw/zinc/82/49/49/971824949.db2.gz SIJRNPLNTMQASK-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001480785426 971878101 /nfs/dbraw/zinc/87/81/01/971878101.db2.gz DBDXCJONBDFHBS-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001569139440 1169683337 /nfs/dbraw/zinc/68/33/37/1169683337.db2.gz NUDDZOFHMVCHLJ-OLZOCXBDSA-N 2 0 255.406 1.339 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001324817659 953588808 /nfs/dbraw/zinc/58/88/08/953588808.db2.gz KUDCOELBVRWXSH-MRXNPFEDSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001325454315 953910996 /nfs/dbraw/zinc/91/09/96/953910996.db2.gz FCFJWFBBVDYXMO-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001493206883 971984356 /nfs/dbraw/zinc/98/43/56/971984356.db2.gz KKJNVVLRVSXRMM-KBPBESRZSA-N 2 0 285.407 1.290 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001316658906 954709958 /nfs/dbraw/zinc/70/99/58/954709958.db2.gz UJBVZUOIDQTDOQ-XHSDSOJGSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001327164811 954742762 /nfs/dbraw/zinc/74/27/62/954742762.db2.gz WSEKKNHDHKASAP-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001327474517 954896845 /nfs/dbraw/zinc/89/68/45/954896845.db2.gz LLJKGEYDQYHTGU-HNNXBMFYSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001327969432 955138439 /nfs/dbraw/zinc/13/84/39/955138439.db2.gz HYXQQUIDDSOPBI-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001328869157 955526432 /nfs/dbraw/zinc/52/64/32/955526432.db2.gz LDJLUHYNOLDUHN-UHFFFAOYSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001492118805 955635034 /nfs/dbraw/zinc/63/50/34/955635034.db2.gz GKOAGWKHXGTCCN-HIFRSBDPSA-N 2 0 265.401 1.143 10 30 CDEERP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001492164893 955662649 /nfs/dbraw/zinc/66/26/49/955662649.db2.gz ITTKHJWYQCPHAF-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001329170586 955732458 /nfs/dbraw/zinc/73/24/58/955732458.db2.gz IPMRZKVJGOEVKO-CHWSQXEVSA-N 2 0 265.401 1.141 10 30 CDEERP C#CCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001492303816 955787823 /nfs/dbraw/zinc/78/78/23/955787823.db2.gz PPWSMJXWPVJILA-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001480651722 955889010 /nfs/dbraw/zinc/88/90/10/955889010.db2.gz METXIEAYPVPOTH-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001317046107 957226129 /nfs/dbraw/zinc/22/61/29/957226129.db2.gz VGKCJXGOLQMAKW-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001317165576 957315696 /nfs/dbraw/zinc/31/56/96/957315696.db2.gz IPNGDRRMYYWRBV-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317177444 957324719 /nfs/dbraw/zinc/32/47/19/957324719.db2.gz UOAWWVAKQDHHMH-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001317181638 957327774 /nfs/dbraw/zinc/32/77/74/957327774.db2.gz USLBYIJABUOPKL-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001317464074 957494478 /nfs/dbraw/zinc/49/44/78/957494478.db2.gz QZMAZMZWDYRERU-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001317688450 957640222 /nfs/dbraw/zinc/64/02/22/957640222.db2.gz XMRPLKZSLUSLNI-DZGCQCFKSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH+]1CC[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001317806082 957672625 /nfs/dbraw/zinc/67/26/25/957672625.db2.gz RCMFJCUAQYKTKV-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)CCc2c[nH]cn2)CC1 ZINC001332950769 957967533 /nfs/dbraw/zinc/96/75/33/957967533.db2.gz ZZIJEOZVGYVYNB-CYBMUJFWSA-N 2 0 290.411 1.745 10 30 CDEERP C=CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001494793769 972308861 /nfs/dbraw/zinc/30/88/61/972308861.db2.gz MPBOZDJROHUHPY-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001318654829 958216022 /nfs/dbraw/zinc/21/60/22/958216022.db2.gz REYDYKMZYRIYAD-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001494909657 972334267 /nfs/dbraw/zinc/33/42/67/972334267.db2.gz HAYGWVICCQCEMO-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001318979908 958329446 /nfs/dbraw/zinc/32/94/46/958329446.db2.gz WXCDJLRUAJZLRJ-HDJSIYSDSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001319508752 958599390 /nfs/dbraw/zinc/59/93/90/958599390.db2.gz CXDJFFQBBPABIP-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001319714566 958699533 /nfs/dbraw/zinc/69/95/33/958699533.db2.gz OHNPHTQAWDGCOA-GJZGRUSLSA-N 2 0 291.439 1.485 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001321336075 959729315 /nfs/dbraw/zinc/72/93/15/959729315.db2.gz JIWCZDHREBAPDS-YCZSJOHXSA-N 2 0 291.439 1.392 10 30 CDEERP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001495298766 972467422 /nfs/dbraw/zinc/46/74/22/972467422.db2.gz KGVYHIDCHVRKHY-RHSMWYFYSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001321870601 959993569 /nfs/dbraw/zinc/99/35/69/959993569.db2.gz OXQQOLHDRPXJRU-GOEBONIOSA-N 2 0 291.439 1.511 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001336198214 960242762 /nfs/dbraw/zinc/24/27/62/960242762.db2.gz IWFHUSUIPLHIOR-ARFHVFGLSA-N 2 0 293.455 1.683 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001322844232 960341691 /nfs/dbraw/zinc/34/16/91/960341691.db2.gz QKVLDYGBIRURCY-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001437194050 962722774 /nfs/dbraw/zinc/72/27/74/962722774.db2.gz CCXBVEMISXZXMJ-AVGNSLFASA-N 2 0 287.835 1.564 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH2+]C ZINC001342059894 963622962 /nfs/dbraw/zinc/62/29/62/963622962.db2.gz HZPJSTCOYLKVSR-OAHLLOKOSA-N 2 0 275.396 1.706 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001441816678 964732587 /nfs/dbraw/zinc/73/25/87/964732587.db2.gz DTHRKRREIXPYOT-AAEUAGOBSA-N 2 0 285.819 1.175 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001444710702 965931276 /nfs/dbraw/zinc/93/12/76/965931276.db2.gz POYUGGFYBHHSIC-NWDGAFQWSA-N 2 0 275.824 1.516 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001495807984 972644352 /nfs/dbraw/zinc/64/43/52/972644352.db2.gz HNIUYXYEHVLLMH-CYBMUJFWSA-N 2 0 253.390 1.000 10 30 CDEERP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001495870923 972680266 /nfs/dbraw/zinc/68/02/66/972680266.db2.gz LVBSSRKNDQSHAL-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCC1 ZINC001495957093 972717791 /nfs/dbraw/zinc/71/77/91/972717791.db2.gz AXNSFYZSIOHDDO-CQSZACIVSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001497712522 973473568 /nfs/dbraw/zinc/47/35/68/973473568.db2.gz GYIPJQOMCZOMOE-AATRIKPKSA-N 2 0 279.428 1.555 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001418102244 973586875 /nfs/dbraw/zinc/58/68/75/973586875.db2.gz COZPHAITKSWKAY-TUAOUCFPSA-N 2 0 273.808 1.316 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001502796861 974786249 /nfs/dbraw/zinc/78/62/49/974786249.db2.gz AMVCXJPRXAUEKE-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001503023144 974809040 /nfs/dbraw/zinc/80/90/40/974809040.db2.gz KVUWIGSHKXPBND-GJZGRUSLSA-N 2 0 279.428 1.319 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001505434237 974876599 /nfs/dbraw/zinc/87/65/99/974876599.db2.gz NHOBAUUEKXTDNZ-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001505537738 974902245 /nfs/dbraw/zinc/90/22/45/974902245.db2.gz KILOHRRGNQAOKB-UYSNPLJNSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001505833665 974998255 /nfs/dbraw/zinc/99/82/55/974998255.db2.gz OENWLSSLBZSVFX-CQSZACIVSA-N 2 0 281.444 1.588 10 30 CDEERP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001505920698 975044046 /nfs/dbraw/zinc/04/40/46/975044046.db2.gz RSLMMJVCVKWEAW-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001506943933 975269230 /nfs/dbraw/zinc/26/92/30/975269230.db2.gz FIGMXMRRURGSGV-HOCLYGCPSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001508016058 975575389 /nfs/dbraw/zinc/57/53/89/975575389.db2.gz LAPBGOMFBAKFMN-CYBMUJFWSA-N 2 0 267.417 1.082 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001406354231 976145311 /nfs/dbraw/zinc/14/53/11/976145311.db2.gz PPFFQYTZYCXEQW-CHWSQXEVSA-N 2 0 287.835 1.706 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001677441031 1174360627 /nfs/dbraw/zinc/36/06/27/1174360627.db2.gz COPHMNRWMWUYCO-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001570691414 1170232265 /nfs/dbraw/zinc/23/22/65/1170232265.db2.gz UXIATMATTZLUIH-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571257194 1170355900 /nfs/dbraw/zinc/35/59/00/1170355900.db2.gz MAYGWDSULURLPB-RRFJBIMHSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001571562213 1170477891 /nfs/dbraw/zinc/47/78/91/1170477891.db2.gz LBLAXZIQTRTXGL-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001571565593 1170478959 /nfs/dbraw/zinc/47/89/59/1170478959.db2.gz CFGCHTMBHVAQJF-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001656140673 1171778241 /nfs/dbraw/zinc/77/82/41/1171778241.db2.gz UCXYOENJLPOHPS-ZNMIVQPWSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1CC ZINC001656734271 1171866439 /nfs/dbraw/zinc/86/64/39/1171866439.db2.gz ZUVRPQSIRZKYPN-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437101 342898120 /nfs/dbraw/zinc/89/81/20/342898120.db2.gz IAIREWQEHGMXQE-KGLIPLIRSA-N 2 0 280.416 1.340 10 30 CDEERP C[NH+](C)CC1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594441174 342907358 /nfs/dbraw/zinc/90/73/58/342907358.db2.gz OHAUZFHXXJXUTL-AWEZNQCLSA-N 2 0 280.416 1.198 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000594446392 342908719 /nfs/dbraw/zinc/90/87/19/342908719.db2.gz SGPXHEOJNQGKIQ-OAHLLOKOSA-N 2 0 294.443 1.780 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000594453182 342910676 /nfs/dbraw/zinc/91/06/76/342910676.db2.gz LMJPUVISCGXISZ-CQSZACIVSA-N 2 0 292.358 1.312 10 30 CDEERP CCC[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600714494 342244069 /nfs/dbraw/zinc/24/40/69/342244069.db2.gz NBNSIDGKHDNAMB-CQSZACIVSA-N 2 0 265.401 1.505 10 30 CDEERP C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C1=CC[N@H+](C)CC1 ZINC000600736638 342244297 /nfs/dbraw/zinc/24/42/97/342244297.db2.gz SLQXRTLFMXWCDL-TZMCWYRMSA-N 2 0 263.385 1.281 10 30 CDEERP N#CC1(C[C@@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000600736322 342246361 /nfs/dbraw/zinc/24/63/61/342246361.db2.gz ORKBBVLGQQWSOW-CQSZACIVSA-N 2 0 270.336 1.479 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000594425663 342904158 /nfs/dbraw/zinc/90/41/58/342904158.db2.gz LURBPKUNHCUAJV-AWEZNQCLSA-N 2 0 286.379 1.682 10 30 CDEERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595935508 343201815 /nfs/dbraw/zinc/20/18/15/343201815.db2.gz DVJIEOGTGQNODT-ZIAGYGMSSA-N 2 0 294.443 1.634 10 30 CDEERP C[NH2+]CCOCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000600708466 349875823 /nfs/dbraw/zinc/87/58/23/349875823.db2.gz CWTMUXDZXXRIPF-INIZCTEOSA-N 2 0 273.380 1.761 10 30 CDEERP C=C(C)C[C@@H](C)C(=O)NCCN(C)CCC[NH+](C)C ZINC000617764723 345960489 /nfs/dbraw/zinc/96/04/89/345960489.db2.gz DEJYOISKTYXMRI-CQSZACIVSA-N 2 0 269.433 1.588 10 30 CDEERP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600721974 358705711 /nfs/dbraw/zinc/70/57/11/358705711.db2.gz PCJBLCPUGCMICI-HNNXBMFYSA-N 2 0 279.428 1.751 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001660826817 1172282299 /nfs/dbraw/zinc/28/22/99/1172282299.db2.gz ZZSXDRSXMRNWHZ-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246491320 360866425 /nfs/dbraw/zinc/86/64/25/360866425.db2.gz AOKZQNIXUKJQHW-IJEWVQPXSA-N 2 0 294.443 1.455 10 30 CDEERP C=CCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000133007098 375661087 /nfs/dbraw/zinc/66/10/87/375661087.db2.gz ZSFZXLAGKIMZCJ-OAHLLOKOSA-N 2 0 251.418 1.664 10 30 CDEERP C=CC[C@@]1(C(=O)NCC2([NH3+])CCCCCC2)CCC[NH2+]1 ZINC000662399173 412963533 /nfs/dbraw/zinc/96/35/33/412963533.db2.gz NYYLJRJFFICRTO-INIZCTEOSA-N 2 0 279.428 1.853 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000334279472 392062155 /nfs/dbraw/zinc/06/21/55/392062155.db2.gz VJAIGBXAGHAABJ-UHFFFAOYSA-N 2 0 292.427 1.126 10 30 CDEERP C=CC[C@]1(C(=O)NCC[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662669777 413285071 /nfs/dbraw/zinc/28/50/71/413285071.db2.gz UFKSVYRMDSXVQB-OAHLLOKOSA-N 2 0 265.401 1.287 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)CCC[NH2+]1 ZINC000662794463 413511737 /nfs/dbraw/zinc/51/17/37/413511737.db2.gz PZCKLCOSDOIJDN-GDBMZVCRSA-N 2 0 279.428 1.627 10 30 CDEERP CNC(=O)C1CC[NH+](Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683934 175092191 /nfs/dbraw/zinc/09/21/91/175092191.db2.gz WBAZVYPCRAWHNM-UHFFFAOYSA-N 2 0 291.420 1.016 10 30 CDEERP CC(=O)N1CCC[N@H+](Cc2sccc2C#CC[NH3+])CC1 ZINC000043684238 175092716 /nfs/dbraw/zinc/09/27/16/175092716.db2.gz GACUMNQQCSWGLG-UHFFFAOYSA-N 2 0 291.420 1.113 10 30 CDEERP NC(=O)CC1CC[NH+](Cc2sccc2C#CC[NH3+])CC1 ZINC000043684129 175092970 /nfs/dbraw/zinc/09/29/70/175092970.db2.gz AYPJJEWTLSCPJG-UHFFFAOYSA-N 2 0 291.420 1.146 10 30 CDEERP N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044531161 175196021 /nfs/dbraw/zinc/19/60/21/175196021.db2.gz PLXVNAAGLYIHEY-ZDUSSCGKSA-N 2 0 286.379 1.558 10 30 CDEERP C[NH+](CC#CC[N@@H+](C)C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000341901022 263367229 /nfs/dbraw/zinc/36/72/29/263367229.db2.gz JRBWJTHACNONDY-HZPDHXFCSA-N 2 0 280.412 1.211 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001668324442 1173395890 /nfs/dbraw/zinc/39/58/90/1173395890.db2.gz BEVBYQAXABEDGA-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001668746177 1173455980 /nfs/dbraw/zinc/45/59/80/1173455980.db2.gz TYDGWJOIUWPSDY-PCAWENJQSA-N 2 0 271.792 1.095 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001669483284 1173555095 /nfs/dbraw/zinc/55/50/95/1173555095.db2.gz ZUFDQSYRQGKUHH-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C[NH+]=C(N[C@@H]1CC1(C)C)NC1CC[NH+](C(C)C)CC1 ZINC000262203565 330003860 /nfs/dbraw/zinc/00/38/60/330003860.db2.gz IUHQPDYQEKDSPV-CYBMUJFWSA-N 2 0 266.433 1.823 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001267276048 1159228507 /nfs/dbraw/zinc/22/85/07/1159228507.db2.gz MRGWQHXOLFCBNO-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C[NH+](C)C(C)C ZINC001731816538 1159346343 /nfs/dbraw/zinc/34/63/43/1159346343.db2.gz NRDUNKALPBZTCV-UHFFFAOYSA-N 2 0 255.406 1.341 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001698893725 1175979263 /nfs/dbraw/zinc/97/92/63/1175979263.db2.gz RPNFMBXWGRSCRD-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001732133129 1159738129 /nfs/dbraw/zinc/73/81/29/1159738129.db2.gz DPLFEOACBAJSDO-CQSZACIVSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)[C@@H](CO)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000678049319 482404732 /nfs/dbraw/zinc/40/47/32/482404732.db2.gz HNNPXVOKBKMXBU-OAHLLOKOSA-N 2 0 254.418 1.977 10 30 CDEERP C#CC[NH+](C)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001700465526 1160676208 /nfs/dbraw/zinc/67/62/08/1160676208.db2.gz GDMZVPIECKODMZ-CQSZACIVSA-N 2 0 293.455 1.709 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001485173823 1161272418 /nfs/dbraw/zinc/27/24/18/1161272418.db2.gz HSDOBHLTTNESLC-GJZGRUSLSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716480167 1180242977 /nfs/dbraw/zinc/24/29/77/1180242977.db2.gz NZRGVVBIBWTWGY-RBSFLKMASA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001717971336 1180953201 /nfs/dbraw/zinc/95/32/01/1180953201.db2.gz JMYHCNSYBJCIRG-UONOGXRCSA-N 2 0 279.428 1.082 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001731673865 1182513473 /nfs/dbraw/zinc/51/34/73/1182513473.db2.gz WXFGRJZCGWVJAR-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001732793727 1183126903 /nfs/dbraw/zinc/12/69/03/1183126903.db2.gz HZAXGXMPZHRZMV-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194738276 517331983 /nfs/dbraw/zinc/33/19/83/517331983.db2.gz LAIMDWOWRZWAJD-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C[NH+](C)C[C@@H]1CCCN1Cc1cccc(C#CC[NH3+])c1 ZINC000061652297 521841954 /nfs/dbraw/zinc/84/19/54/521841954.db2.gz ZEXQXLSFQJKFCN-KRWDZBQOSA-N 2 0 271.408 1.523 10 30 CDEERP COCC[NH2+]CC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000068760791 523936224 /nfs/dbraw/zinc/93/62/24/523936224.db2.gz OVIFATWEZZWYRG-UHFFFAOYSA-N 2 0 288.395 1.401 10 30 CDEERP C[C@@H](CC[NH+](C)C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000049561921 524471681 /nfs/dbraw/zinc/47/16/81/524471681.db2.gz BRKLKGHPTKSNRS-ZDUSSCGKSA-N 2 0 273.380 1.067 10 30 CDEERP C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000049561923 524472563 /nfs/dbraw/zinc/47/25/63/524472563.db2.gz PPYDTOZRTVOWTN-ZDUSSCGKSA-N 2 0 273.380 1.067 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000939453432 612974691 /nfs/dbraw/zinc/97/46/91/612974691.db2.gz HKZUUDUYFAHFOM-HOCLYGCPSA-N 2 0 291.439 1.177 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000939453433 612974769 /nfs/dbraw/zinc/97/47/69/612974769.db2.gz HKZUUDUYFAHFOM-ZBFHGGJFSA-N 2 0 291.439 1.177 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000899959153 622583350 /nfs/dbraw/zinc/58/33/50/622583350.db2.gz TVBHFNUHIFRECU-CYBMUJFWSA-N 2 0 295.452 1.975 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCCCn1ccnc1 ZINC000900696958 623356114 /nfs/dbraw/zinc/35/61/14/623356114.db2.gz YJCVQUIQFFKLAT-UHFFFAOYSA-N 2 0 264.373 1.287 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000901013849 623803378 /nfs/dbraw/zinc/80/33/78/623803378.db2.gz YLRMVEDUHOMEFE-UHFFFAOYSA-N 2 0 293.411 1.678 10 30 CDEERP Cc1cc(C#N)cc(C)c1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000903422873 625993929 /nfs/dbraw/zinc/99/39/29/625993929.db2.gz KTAGVMAEWVDFBO-UHFFFAOYSA-N 2 0 286.423 1.512 10 30 CDEERP N#Cc1ccc(N[C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)nc1 ZINC000903987995 626174848 /nfs/dbraw/zinc/17/48/48/626174848.db2.gz MADRKCUONMBIMD-MRXNPFEDSA-N 2 0 299.422 1.829 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000908150373 628032769 /nfs/dbraw/zinc/03/27/69/628032769.db2.gz YTEXCGCEBBBOTL-HUUCEWRRSA-N 2 0 279.428 1.580 10 30 CDEERP CCC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000912509767 630049448 /nfs/dbraw/zinc/04/94/48/630049448.db2.gz QCKLCVDVUPCJEX-LBPRGKRZSA-N 2 0 254.422 1.824 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC=C ZINC001670651662 1158675151 /nfs/dbraw/zinc/67/51/51/1158675151.db2.gz WOIDXUIKKKSPBH-CVEARBPZSA-N 2 0 289.423 1.241 10 30 CDEERP C=C(C)C[N@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001691198220 1158953482 /nfs/dbraw/zinc/95/34/82/1158953482.db2.gz LXVNHGJJBMLOBT-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001691417032 1159064411 /nfs/dbraw/zinc/06/44/11/1159064411.db2.gz SRYIICZVRZGPCS-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001691043570 1158689159 /nfs/dbraw/zinc/68/91/59/1158689159.db2.gz QRNNIEYXKGXTIH-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001670792814 1159819504 /nfs/dbraw/zinc/81/95/04/1159819504.db2.gz AHWSUHGFFLYWKZ-HNNXBMFYSA-N 2 0 291.439 1.818 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001270136931 1160093578 /nfs/dbraw/zinc/09/35/78/1160093578.db2.gz SGTVOSJZRYYBOU-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001671736236 1161394428 /nfs/dbraw/zinc/39/44/28/1161394428.db2.gz QBPQRXIGJFGSPM-IIAWOOMASA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(CCC)CC[NH+](CC)CC ZINC001296169749 1167449961 /nfs/dbraw/zinc/44/99/61/1167449961.db2.gz KGFMHSCYDLASCZ-UHFFFAOYSA-N 2 0 269.433 1.685 10 30 CDEERP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001566694336 1168032648 /nfs/dbraw/zinc/03/26/48/1168032648.db2.gz FGWVFDNNRKUGER-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001566465213 1168289397 /nfs/dbraw/zinc/28/93/97/1168289397.db2.gz KEIUUUPYTJOUDD-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001569578988 1169929955 /nfs/dbraw/zinc/92/99/55/1169929955.db2.gz ZNURDOCAAZRLOT-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001569855074 1170019193 /nfs/dbraw/zinc/01/91/93/1170019193.db2.gz HYGUBQHXCHQRQL-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001570521872 1170175808 /nfs/dbraw/zinc/17/58/08/1170175808.db2.gz IEHNWHYLLHVJFH-SJLPKXTDSA-N 2 0 299.418 1.333 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001570543313 1170186102 /nfs/dbraw/zinc/18/61/02/1170186102.db2.gz GFBJBPDRIDPEIW-GJZGRUSLSA-N 2 0 281.444 1.681 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001571637348 1170504956 /nfs/dbraw/zinc/50/49/56/1170504956.db2.gz UNPSJBYINGPWTC-ZIAGYGMSSA-N 2 0 281.444 1.470 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001657071418 1171926174 /nfs/dbraw/zinc/92/61/74/1171926174.db2.gz YWOMPRGCIHPXEM-LSDHHAIUSA-N 2 0 277.412 1.027 10 30 CDEERP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001662797240 1172596329 /nfs/dbraw/zinc/59/63/29/1172596329.db2.gz PDUZAHXOCLUJBI-LSDHHAIUSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001664818246 1172917296 /nfs/dbraw/zinc/91/72/96/1172917296.db2.gz RBMHKBRORHNMPD-ZIAGYGMSSA-N 2 0 267.417 1.293 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001666173091 1173116404 /nfs/dbraw/zinc/11/64/04/1173116404.db2.gz QMRAWOPWCCACMN-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001674804689 1174012102 /nfs/dbraw/zinc/01/21/02/1174012102.db2.gz QUOBSHSCEHUOQR-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001690540557 1175491164 /nfs/dbraw/zinc/49/11/64/1175491164.db2.gz SOECFBCJMXYFTP-FHERZECASA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001690584615 1175512454 /nfs/dbraw/zinc/51/24/54/1175512454.db2.gz PQJHZXJMNBVMEJ-HOCLYGCPSA-N 2 0 291.439 1.511 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001691876063 1175643592 /nfs/dbraw/zinc/64/35/92/1175643592.db2.gz RSHNSQNRAISWRK-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001692086175 1175675496 /nfs/dbraw/zinc/67/54/96/1175675496.db2.gz OZLPQESBKZHQGI-OAGGEKHMSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001698604659 1175869189 /nfs/dbraw/zinc/86/91/89/1175869189.db2.gz PVGAOVRXZDXTNB-ZDUSSCGKSA-N 2 0 286.379 1.927 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001698844738 1175960752 /nfs/dbraw/zinc/96/07/52/1175960752.db2.gz FBJKRUKKELWCOG-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001698883814 1175976160 /nfs/dbraw/zinc/97/61/60/1175976160.db2.gz GEQOUJZVVPKQKU-CVEARBPZSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001699533199 1176466562 /nfs/dbraw/zinc/46/65/62/1176466562.db2.gz FOTWWTQZRBWCNR-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001699877406 1176665670 /nfs/dbraw/zinc/66/56/70/1176665670.db2.gz XGBDEUXAFQQXHS-KRWDZBQOSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001700313360 1176843998 /nfs/dbraw/zinc/84/39/98/1176843998.db2.gz HZESIZIILXOWHB-UONOGXRCSA-N 2 0 277.412 1.073 10 30 CDEERP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001700464712 1176953452 /nfs/dbraw/zinc/95/34/52/1176953452.db2.gz WNWCFEVYFKOYAG-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001701024602 1177243835 /nfs/dbraw/zinc/24/38/35/1177243835.db2.gz TYQLUFXTZHWUOA-UHFFFAOYSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001713112112 1178374009 /nfs/dbraw/zinc/37/40/09/1178374009.db2.gz FYXWDFZXXRFGDE-HZPDHXFCSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001713166200 1178408471 /nfs/dbraw/zinc/40/84/71/1178408471.db2.gz LKZBFLXVVMTBKS-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001713263252 1178458366 /nfs/dbraw/zinc/45/83/66/1178458366.db2.gz GNQLBCIHDFSWNJ-GJZGRUSLSA-N 2 0 295.402 1.024 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713311677 1178489767 /nfs/dbraw/zinc/48/97/67/1178489767.db2.gz VVEGOEKAEQXZQK-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCC)CCF)CC1 ZINC001713551955 1178641149 /nfs/dbraw/zinc/64/11/49/1178641149.db2.gz HJKMXBFRARLTRL-UHFFFAOYSA-N 2 0 297.418 1.129 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001713756053 1178739987 /nfs/dbraw/zinc/73/99/87/1178739987.db2.gz MYDJINBTWXQJCV-OAHLLOKOSA-N 2 0 279.428 1.132 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001714005321 1178922946 /nfs/dbraw/zinc/92/29/46/1178922946.db2.gz CIBLKXVYLPJHEY-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001714050642 1178945821 /nfs/dbraw/zinc/94/58/21/1178945821.db2.gz ZWSQYXDAWHUQPO-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001714077888 1178964055 /nfs/dbraw/zinc/96/40/55/1178964055.db2.gz DFFAOSODUWPRKE-AWEZNQCLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001714079297 1178964245 /nfs/dbraw/zinc/96/42/45/1178964245.db2.gz HYGMZAKQZGMNIX-JYJNAYRXSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001714157573 1178994928 /nfs/dbraw/zinc/99/49/28/1178994928.db2.gz SZZAPJGXUMSVMG-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001714197403 1179011284 /nfs/dbraw/zinc/01/12/84/1179011284.db2.gz CPBYMSBOCLFYSR-UHFFFAOYSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001714367816 1179107866 /nfs/dbraw/zinc/10/78/66/1179107866.db2.gz TYHOJVZWVASAGK-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714391991 1179120533 /nfs/dbraw/zinc/12/05/33/1179120533.db2.gz YPIALRVMSSHMFZ-GDBMZVCRSA-N 2 0 293.455 1.636 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001714476430 1179159609 /nfs/dbraw/zinc/15/96/09/1179159609.db2.gz HZJBJFFGVDMACZ-CYBMUJFWSA-N 2 0 298.390 1.764 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001714913218 1179449990 /nfs/dbraw/zinc/44/99/90/1179449990.db2.gz ZCQSJAJISFEDSN-MRXNPFEDSA-N 2 0 293.455 1.685 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001715387399 1179653786 /nfs/dbraw/zinc/65/37/86/1179653786.db2.gz AWQVILDKPRQFKN-MRXNPFEDSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001715416161 1179662763 /nfs/dbraw/zinc/66/27/63/1179662763.db2.gz HCBYVFVMIULYNX-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001716329940 1180156530 /nfs/dbraw/zinc/15/65/30/1180156530.db2.gz MLANCYPFIPSETG-WLBISTCBSA-N 2 0 279.428 1.697 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001716334461 1180159188 /nfs/dbraw/zinc/15/91/88/1180159188.db2.gz RWVHFKUSHBIMPI-MOEXGYKKSA-N 2 0 291.439 1.394 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001716465315 1180225558 /nfs/dbraw/zinc/22/55/58/1180225558.db2.gz TVZHGXKONYJIIU-AWEZNQCLSA-N 2 0 267.417 1.533 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001716482951 1180245050 /nfs/dbraw/zinc/24/50/50/1180245050.db2.gz VKFYTACQJYQUIA-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001716520323 1180264003 /nfs/dbraw/zinc/26/40/03/1180264003.db2.gz KUVNNLMHZIBHIO-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001716549962 1180280785 /nfs/dbraw/zinc/28/07/85/1180280785.db2.gz NONJRLUZQTUXEX-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001716632003 1180315870 /nfs/dbraw/zinc/31/58/70/1180315870.db2.gz SIYRBTSGSGYMOE-HUUCEWRRSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH+]1CCC[C@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001716899282 1180459239 /nfs/dbraw/zinc/45/92/39/1180459239.db2.gz CROHKSSJSQDINC-QGZVFWFLSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001717109411 1180533106 /nfs/dbraw/zinc/53/31/06/1180533106.db2.gz CVDSORURQHTIPE-ZIAGYGMSSA-N 2 0 299.846 1.519 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001717376717 1180637213 /nfs/dbraw/zinc/63/72/13/1180637213.db2.gz WTMJGQVWENGMSU-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001717472729 1180692222 /nfs/dbraw/zinc/69/22/22/1180692222.db2.gz QNHLLPMUQLAWJK-KBPBESRZSA-N 2 0 267.417 1.482 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001717803492 1180863626 /nfs/dbraw/zinc/86/36/26/1180863626.db2.gz YPTYTMYOJKFIDS-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCc2nccn2C)C1 ZINC001717877446 1180907848 /nfs/dbraw/zinc/90/78/48/1180907848.db2.gz PFNTUOAAJONHJS-ZIAGYGMSSA-N 2 0 290.411 1.413 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717879666 1180909442 /nfs/dbraw/zinc/90/94/42/1180909442.db2.gz RYPDGHIXATZQJK-ZIAGYGMSSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001717901291 1180919717 /nfs/dbraw/zinc/91/97/17/1180919717.db2.gz XTHXTCDMEBHLDB-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001723297258 1181533735 /nfs/dbraw/zinc/53/37/35/1181533735.db2.gz FMPUBMRAZYPZSM-CVEARBPZSA-N 2 0 291.439 1.367 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001723859463 1181613047 /nfs/dbraw/zinc/61/30/47/1181613047.db2.gz JXPOBLAVRPRJRE-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001724655835 1181716864 /nfs/dbraw/zinc/71/68/64/1181716864.db2.gz MTXZWNMETXOYFV-LSDHHAIUSA-N 2 0 277.412 1.027 10 30 CDEERP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001724759412 1181741412 /nfs/dbraw/zinc/74/14/12/1181741412.db2.gz MIJYTYUJUFNNLJ-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)CCc1c[nH]cn1 ZINC001724851934 1181775212 /nfs/dbraw/zinc/77/52/12/1181775212.db2.gz OPXBCCWJSNWTDQ-UHFFFAOYSA-N 2 0 278.400 1.699 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001725124660 1181873866 /nfs/dbraw/zinc/87/38/66/1181873866.db2.gz YLRUKOZRWVJINW-KGLIPLIRSA-N 2 0 297.443 1.156 10 30 CDEERP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001725337308 1181965596 /nfs/dbraw/zinc/96/55/96/1181965596.db2.gz PDIMEBWBWITVGP-JYJNAYRXSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001725497146 1182025283 /nfs/dbraw/zinc/02/52/83/1182025283.db2.gz VPXMJDGEUOUUPD-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCCC[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001725786675 1182132289 /nfs/dbraw/zinc/13/22/89/1182132289.db2.gz MSALHIZSCFQCMJ-UHFFFAOYSA-N 2 0 291.439 1.627 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001731404806 1182367486 /nfs/dbraw/zinc/36/74/86/1182367486.db2.gz HOHADFGPABBCMQ-OAHLLOKOSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001731557271 1182446104 /nfs/dbraw/zinc/44/61/04/1182446104.db2.gz FJRLFPOUIHJKDH-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001731557270 1182446336 /nfs/dbraw/zinc/44/63/36/1182446336.db2.gz FJRLFPOUIHJKDH-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001731693848 1182520404 /nfs/dbraw/zinc/52/04/04/1182520404.db2.gz GGAPJHSORGCFQO-HZPDHXFCSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001732205837 1182856667 /nfs/dbraw/zinc/85/66/67/1182856667.db2.gz SXIIEGQWWHGXSU-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001732309987 1182901889 /nfs/dbraw/zinc/90/18/89/1182901889.db2.gz KSGMUVDUANWBBC-WKILWMFISA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH+](C)CCN(C)C(=O)C[N@@H+](C)CCC ZINC001732596436 1183038989 /nfs/dbraw/zinc/03/89/89/1183038989.db2.gz GGTJHKNOHNXHGS-UHFFFAOYSA-N 2 0 255.406 1.295 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001733106316 1183293221 /nfs/dbraw/zinc/29/32/21/1183293221.db2.gz DRHBBFHMQFVKTJ-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001733606985 1183478392 /nfs/dbraw/zinc/47/83/92/1183478392.db2.gz MPJBPRJLBOXGMP-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001733780673 1183532026 /nfs/dbraw/zinc/53/20/26/1183532026.db2.gz MOCWLMKTGBDOTL-UHFFFAOYSA-N 2 0 281.444 1.829 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001733981616 1183599875 /nfs/dbraw/zinc/59/98/75/1183599875.db2.gz ZTXQPCJYPKQJIW-ZIAGYGMSSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001734130624 1183670261 /nfs/dbraw/zinc/67/02/61/1183670261.db2.gz JLTQWIRAZWCUTN-CQSZACIVSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC001734198802 1183688897 /nfs/dbraw/zinc/68/88/97/1183688897.db2.gz PKMCXPPJXKWRBM-CALCHBBNSA-N 2 0 291.439 1.132 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001734348642 1183743009 /nfs/dbraw/zinc/74/30/09/1183743009.db2.gz FFMSCURGAUPSMF-HNNXBMFYSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001734421508 1183773744 /nfs/dbraw/zinc/77/37/44/1183773744.db2.gz GYVNIFJDQNLPPU-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001734456754 1183784972 /nfs/dbraw/zinc/78/49/72/1183784972.db2.gz HNLWMPJUXOUHMO-GOEBONIOSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000876772011 743363366 /nfs/dbraw/zinc/36/33/66/743363366.db2.gz FOOSDBKGNPALAO-UTUOFQBUSA-N 2 0 273.808 1.397 10 30 CDEERP C=CC1CC[NH+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878092895 743468483 /nfs/dbraw/zinc/46/84/83/743468483.db2.gz AWXZDPQFRGHFKX-UHFFFAOYSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926865296 745048673 /nfs/dbraw/zinc/04/86/73/745048673.db2.gz RLPDSHNIVKDDRL-PNRVRQOCSA-N 2 0 282.428 1.545 10 30 CDEERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852894152 745082011 /nfs/dbraw/zinc/08/20/11/745082011.db2.gz FWYREURPPGDCDR-QGZVFWFLSA-N 2 0 297.402 1.074 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876755259 745467624 /nfs/dbraw/zinc/46/76/24/745467624.db2.gz IQLJUOUXECGRIT-GEXIGZQTSA-N 2 0 277.412 1.309 10 30 CDEERP C[NH+]=C(NC1CCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261972816 745821385 /nfs/dbraw/zinc/82/13/85/745821385.db2.gz NDYFMQRONZCJPV-DGCLKSJQSA-N 2 0 252.406 1.433 10 30 CDEERP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CC1)C1CCCCC1 ZINC000066245350 745834342 /nfs/dbraw/zinc/83/43/42/745834342.db2.gz OVZABOQHMYIAAJ-ZDUSSCGKSA-N 2 0 252.406 1.564 10 30 CDEERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(CC#N)CC1)[NH2+]2 ZINC000925609075 746031334 /nfs/dbraw/zinc/03/13/34/746031334.db2.gz OLDZZMXNOMIQTF-BEAPCOKYSA-N 2 0 262.401 1.093 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000876850870 746353260 /nfs/dbraw/zinc/35/32/60/746353260.db2.gz DFMJELYDVIZUMS-DGCLKSJQSA-N 2 0 271.792 1.058 10 30 CDEERP C[NH+](C)C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000870016813 746526983 /nfs/dbraw/zinc/52/69/83/746526983.db2.gz APYQPBCWCSMTEZ-HUUCEWRRSA-N 2 0 293.455 1.234 10 30 CDEERP C[NH+]=C(NC[C@@H]1CC1(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261948029 746861582 /nfs/dbraw/zinc/86/15/82/746861582.db2.gz GLAWJWRMIZWSHW-MELADBBJSA-N 2 0 280.460 1.926 10 30 CDEERP [NH2+]=C(NCCC[NH+]1CCCCCC1)NC[C@@H]1CCCO1 ZINC000303257057 747084105 /nfs/dbraw/zinc/08/41/05/747084105.db2.gz ITVGHABISXXWKI-AWEZNQCLSA-N 2 0 282.432 1.336 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[N@@H+](CC)C(C)C)CCC[NH2+]1 ZINC000852864905 747102445 /nfs/dbraw/zinc/10/24/45/747102445.db2.gz LWDIRHKTMVVHHD-HNNXBMFYSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000876859871 747228121 /nfs/dbraw/zinc/22/81/21/747228121.db2.gz MRUIQSNKMGREFZ-RDBSUJKOSA-N 2 0 299.846 1.695 10 30 CDEERP C[C@@H]1C[NH+]=C(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)N1 ZINC000262681313 747879354 /nfs/dbraw/zinc/87/93/54/747879354.db2.gz WJPXFWFXZSNADA-PBHICJAKSA-N 2 0 286.423 1.978 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000876772009 748068483 /nfs/dbraw/zinc/06/84/83/748068483.db2.gz FOOSDBKGNPALAO-SRVKXCTJSA-N 2 0 273.808 1.397 10 30 CDEERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C#CC2CC[NH2+]CC2)C[C@@H]1C ZINC000852870405 748385643 /nfs/dbraw/zinc/38/56/43/748385643.db2.gz NPBCNNZZAGZGLP-GOEBONIOSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000876754350 748851998 /nfs/dbraw/zinc/85/19/98/748851998.db2.gz MYSGYSALFGEGPY-RYUDHWBXSA-N 2 0 271.792 1.057 10 30 CDEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001565978193 1168207806 /nfs/dbraw/zinc/20/78/06/1168207806.db2.gz WHYMLAJWLKGBGT-OAGGEKHMSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566770280 1168414003 /nfs/dbraw/zinc/41/40/03/1168414003.db2.gz FNQTXPJHZMROAQ-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCCC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001483656425 912342926 /nfs/dbraw/zinc/34/29/26/912342926.db2.gz YKMKICAPNOKQGR-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266473216 895012472 /nfs/dbraw/zinc/01/24/72/895012472.db2.gz XMPWTJYBRDAPHZ-MRXNPFEDSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266545959 895301911 /nfs/dbraw/zinc/30/19/11/895301911.db2.gz RWTFEWLPCCOBPF-KGLIPLIRSA-N 2 0 267.417 1.197 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266546831 895303935 /nfs/dbraw/zinc/30/39/35/895303935.db2.gz XUXWQCBNXIRBSQ-GJZGRUSLSA-N 2 0 279.428 1.034 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266734911 895941805 /nfs/dbraw/zinc/94/18/05/895941805.db2.gz BYKFJIUAMVWQHO-XHSDSOJGSA-N 2 0 291.439 1.367 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001266880375 896269838 /nfs/dbraw/zinc/26/98/38/896269838.db2.gz KESCYYHMDMZJNV-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001267046960 896629180 /nfs/dbraw/zinc/62/91/80/896629180.db2.gz GLCZMVDTGQDJOO-HZPDHXFCSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267089211 896739689 /nfs/dbraw/zinc/73/96/89/896739689.db2.gz CHVFZNXFOBWTPE-CABCVRRESA-N 2 0 289.423 1.123 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001267089779 896742737 /nfs/dbraw/zinc/74/27/37/896742737.db2.gz SWQGKVJBQNVABI-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)CC[N@@H+](C)CC ZINC001267176861 897014038 /nfs/dbraw/zinc/01/40/38/897014038.db2.gz MXMGJBKBTZIWOR-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001267252563 897342282 /nfs/dbraw/zinc/34/22/82/897342282.db2.gz TYJQLJZLBMCSTD-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001567574099 1168864815 /nfs/dbraw/zinc/86/48/15/1168864815.db2.gz XGQSOXBZHAZUIH-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[N@H+](CCC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001493318030 897831473 /nfs/dbraw/zinc/83/14/73/897831473.db2.gz KDLIJGMQCHNHCJ-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001267457163 897937499 /nfs/dbraw/zinc/93/74/99/897937499.db2.gz SXJVKUJLZGINGS-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267476077 898106808 /nfs/dbraw/zinc/10/68/08/898106808.db2.gz UFVIYOHBOXTEEE-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001267571552 898442469 /nfs/dbraw/zinc/44/24/69/898442469.db2.gz NSZKZUIMTAOKIH-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267627425 899080256 /nfs/dbraw/zinc/08/02/56/899080256.db2.gz BJARRQVRCIOEFM-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP N#CCCOCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001176880692 914331103 /nfs/dbraw/zinc/33/11/03/914331103.db2.gz YBZROXMBFHTOKY-UHFFFAOYSA-N 2 0 295.427 1.229 10 30 CDEERP C=CCC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001267859150 899885921 /nfs/dbraw/zinc/88/59/21/899885921.db2.gz HYZWJHOJPZWRAY-ZBFHGGJFSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001496366389 899931038 /nfs/dbraw/zinc/93/10/38/899931038.db2.gz BVNJBSQQMHHZRC-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284018315 900333267 /nfs/dbraw/zinc/33/32/67/900333267.db2.gz SPKSBHASTLTIRZ-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001567708921 1168931236 /nfs/dbraw/zinc/93/12/36/1168931236.db2.gz CWHXBTWTBWLMMW-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001481435590 900658216 /nfs/dbraw/zinc/65/82/16/900658216.db2.gz PTVUBNGRLKWSEM-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001268161689 901454726 /nfs/dbraw/zinc/45/47/26/901454726.db2.gz FSRXFVKPQXXMDZ-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001268266656 901702490 /nfs/dbraw/zinc/70/24/90/901702490.db2.gz DOYXSRBLWVOYLR-CVEARBPZSA-N 2 0 291.439 1.273 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001481702175 901838439 /nfs/dbraw/zinc/83/84/39/901838439.db2.gz CNQLIBBFBXMFJR-ZIAGYGMSSA-N 2 0 285.407 1.433 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481812692 902165597 /nfs/dbraw/zinc/16/55/97/902165597.db2.gz RQYIHHUHYVYHES-HUUCEWRRSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001482063522 902580342 /nfs/dbraw/zinc/58/03/42/902580342.db2.gz XKPDCPUGWNHVOX-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001269442239 903808259 /nfs/dbraw/zinc/80/82/59/903808259.db2.gz CILBPINWWHIBHF-OAHLLOKOSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCC1 ZINC001482221328 903833253 /nfs/dbraw/zinc/83/32/53/903833253.db2.gz FHDCJPISFJCMEQ-UHFFFAOYSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001270130998 904385637 /nfs/dbraw/zinc/38/56/37/904385637.db2.gz KRDPOQCCUXVJCJ-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001270516628 904693626 /nfs/dbraw/zinc/69/36/26/904693626.db2.gz GFBVKXFQBOKJMS-XJKSGUPXSA-N 2 0 299.434 1.727 10 30 CDEERP C=CCC[N@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001270631718 904861463 /nfs/dbraw/zinc/86/14/63/904861463.db2.gz FMOYZVYGAISIDW-KRWDZBQOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001482454368 905626375 /nfs/dbraw/zinc/62/63/75/905626375.db2.gz WOBZGJRXUULXDU-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001271654489 906572619 /nfs/dbraw/zinc/57/26/19/906572619.db2.gz DSKIISLNBSDQSR-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001271729434 906681321 /nfs/dbraw/zinc/68/13/21/906681321.db2.gz XMMNKRKKXPYKPV-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001567914205 1169064233 /nfs/dbraw/zinc/06/42/33/1169064233.db2.gz BDRJVYCGHRDJMG-CABCVRRESA-N 2 0 299.434 1.775 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001409273134 909454123 /nfs/dbraw/zinc/45/41/23/909454123.db2.gz HDGIBCMPKAXHNJ-UHFFFAOYSA-N 2 0 285.819 1.319 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001483143495 909804725 /nfs/dbraw/zinc/80/47/25/909804725.db2.gz KKDVPYYIVLQAPP-KGLIPLIRSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001568004528 1169114429 /nfs/dbraw/zinc/11/44/29/1169114429.db2.gz CPTZTKMNECXSMZ-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001484466353 915793284 /nfs/dbraw/zinc/79/32/84/915793284.db2.gz XVHUFDLTKIRPQB-HUUCEWRRSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485165714 916620207 /nfs/dbraw/zinc/62/02/07/916620207.db2.gz YSZBSZOEBGBTOP-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001485440826 916972603 /nfs/dbraw/zinc/97/26/03/916972603.db2.gz AFBHJSHQNASBFZ-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001485480429 917011013 /nfs/dbraw/zinc/01/10/13/917011013.db2.gz UNRZRVWOFUPYPZ-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485733094 917226121 /nfs/dbraw/zinc/22/61/21/917226121.db2.gz UEHSSADSUQMRKH-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001485956331 920598434 /nfs/dbraw/zinc/59/84/34/920598434.db2.gz VRAICOLEKVUXQC-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001491154867 936865754 /nfs/dbraw/zinc/86/57/54/936865754.db2.gz WZPUGIXWGKFFHL-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001273185731 923919618 /nfs/dbraw/zinc/91/96/18/923919618.db2.gz DVWRSAHEXCXRQZ-UHFFFAOYSA-N 2 0 291.439 1.677 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001491252878 936884244 /nfs/dbraw/zinc/88/42/44/936884244.db2.gz GDCYIDGEXQQILF-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001491496388 936925403 /nfs/dbraw/zinc/92/54/03/936925403.db2.gz VPRQLULPIGZXRD-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001568484894 1169321196 /nfs/dbraw/zinc/32/11/96/1169321196.db2.gz AUKFUDKZJCIJDF-CQSZACIVSA-N 2 0 285.407 1.080 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001274279195 931487401 /nfs/dbraw/zinc/48/74/01/931487401.db2.gz DXIRLDDNCPZELQ-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001320000015 931495510 /nfs/dbraw/zinc/49/55/10/931495510.db2.gz OJWXVZRKDXLPPR-OAHLLOKOSA-N 2 0 279.428 1.273 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001320150048 931499836 /nfs/dbraw/zinc/49/98/36/931499836.db2.gz AMPPRIFNVMQFFY-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001275849585 932092094 /nfs/dbraw/zinc/09/20/94/932092094.db2.gz HBJIJMMYXMVFMO-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001120399327 937797868 /nfs/dbraw/zinc/79/78/68/937797868.db2.gz YSLIHPVDYLSZHX-RRFJBIMHSA-N 2 0 279.428 1.293 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH2+]C)C(C)C)CC1 ZINC001120504568 937804872 /nfs/dbraw/zinc/80/48/72/937804872.db2.gz RLTAYPZROBVAAI-UHFFFAOYSA-N 2 0 296.459 1.666 10 30 CDEERP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001276334331 935017820 /nfs/dbraw/zinc/01/78/20/935017820.db2.gz NXTHXOPKSLSVKT-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001278266602 945223943 /nfs/dbraw/zinc/22/39/43/945223943.db2.gz GATZLKVXVAOKFQ-CVEARBPZSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001568714352 1169443416 /nfs/dbraw/zinc/44/34/16/1169443416.db2.gz SZWULPUVJKUHMU-HNNXBMFYSA-N 2 0 281.444 1.923 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001276602964 940410233 /nfs/dbraw/zinc/41/02/33/940410233.db2.gz IETALXFKLFKCOM-JKSUJKDBSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001280850968 941947490 /nfs/dbraw/zinc/94/74/90/941947490.db2.gz WWFOISPHRYQOEY-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001282052510 942650350 /nfs/dbraw/zinc/65/03/50/942650350.db2.gz GPMBBRDEKLGYMB-UHFFFAOYSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001282390792 942705128 /nfs/dbraw/zinc/70/51/28/942705128.db2.gz IQGLLGNXKDTISW-CABCVRRESA-N 2 0 279.428 1.319 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCC)CC1 ZINC001282497983 942723551 /nfs/dbraw/zinc/72/35/51/942723551.db2.gz UTSSFTNFAIILCH-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001282717812 942744608 /nfs/dbraw/zinc/74/46/08/942744608.db2.gz UWVKMSOXWJPTDC-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001316625637 942877068 /nfs/dbraw/zinc/87/70/68/942877068.db2.gz VYFSFPUKKCNYKA-OAGGEKHMSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001283462685 942897794 /nfs/dbraw/zinc/89/77/94/942897794.db2.gz DANBORKEDUVQGL-HZPDHXFCSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001283534854 942927694 /nfs/dbraw/zinc/92/76/94/942927694.db2.gz ZNSIOSLDUNQWHW-INIZCTEOSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001284070362 943066836 /nfs/dbraw/zinc/06/68/36/943066836.db2.gz SUPFOXQPKPXFRT-WMLDXEAASA-N 2 0 289.423 1.075 10 30 CDEERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1C#N ZINC001491567965 943966564 /nfs/dbraw/zinc/96/65/64/943966564.db2.gz ITQVWGXCAYXSJQ-CYBMUJFWSA-N 2 0 288.395 1.104 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001263993401 944056796 /nfs/dbraw/zinc/05/67/96/944056796.db2.gz DGIDYAKZCJRARJ-QLFBSQMISA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001264393754 944125033 /nfs/dbraw/zinc/12/50/33/944125033.db2.gz KIPNPRLWPLOKNB-XHSDSOJGSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001277954174 944206150 /nfs/dbraw/zinc/20/61/50/944206150.db2.gz NHQHPIMJJDRPEK-HZPDHXFCSA-N 2 0 293.455 1.709 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001265091249 944225930 /nfs/dbraw/zinc/22/59/30/944225930.db2.gz DEFHTAABWZULAO-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265287472 944323717 /nfs/dbraw/zinc/32/37/17/944323717.db2.gz AJZULKXAMOTDIK-ZDUSSCGKSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001265559926 944429233 /nfs/dbraw/zinc/42/92/33/944429233.db2.gz AFEAAVZDUHFEQY-FZKCQIBNSA-N 2 0 291.439 1.816 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001265563616 944430787 /nfs/dbraw/zinc/43/07/87/944430787.db2.gz MOLFOPDOKLOZNQ-IYBDPMFKSA-N 2 0 291.439 1.367 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001265783755 944508017 /nfs/dbraw/zinc/50/80/17/944508017.db2.gz PVLWSSWVAOKOFV-ZFWWWQNUSA-N 2 0 277.412 1.121 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001265833115 944531758 /nfs/dbraw/zinc/53/17/58/944531758.db2.gz XQIMHCVBNLQESJ-CABCVRRESA-N 2 0 279.428 1.367 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266147119 944712864 /nfs/dbraw/zinc/71/28/64/944712864.db2.gz WDLTVDPTQHAVRO-RRFJBIMHSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001266155884 944720756 /nfs/dbraw/zinc/72/07/56/944720756.db2.gz RIMGGSMHXUANAL-CHWSQXEVSA-N 2 0 255.406 1.387 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001278325156 946165441 /nfs/dbraw/zinc/16/54/41/946165441.db2.gz HQKHOKOQVMMRPI-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001479321831 971299812 /nfs/dbraw/zinc/29/98/12/971299812.db2.gz WCSOQRHOZWAUDQ-XHSDSOJGSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCCC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001479779425 971413527 /nfs/dbraw/zinc/41/35/27/971413527.db2.gz OIRINEMEZMKINY-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001279038195 948635119 /nfs/dbraw/zinc/63/51/19/948635119.db2.gz FUBKXYNHSFCDCC-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001324753991 953561995 /nfs/dbraw/zinc/56/19/95/953561995.db2.gz ZRSKGJLCFBXASW-MRXNPFEDSA-N 2 0 289.423 1.076 10 30 CDEERP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001325915990 954138856 /nfs/dbraw/zinc/13/88/56/954138856.db2.gz HFLZMYBYLRQKQB-HUUCEWRRSA-N 2 0 279.428 1.578 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001328278045 955248292 /nfs/dbraw/zinc/24/82/92/955248292.db2.gz GURFNOLYXMGPAG-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001491830972 955456540 /nfs/dbraw/zinc/45/65/40/955456540.db2.gz CSQDXVRZGADSFQ-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001493667021 972097811 /nfs/dbraw/zinc/09/78/11/972097811.db2.gz KRJOWHUOAZSORS-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493724346 972106564 /nfs/dbraw/zinc/10/65/64/972106564.db2.gz BGMIQWLDPDTKRT-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001422709507 956278572 /nfs/dbraw/zinc/27/85/72/956278572.db2.gz ZLJNCCSFWKMGPQ-LBPRGKRZSA-N 2 0 287.835 1.708 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001330665969 956552509 /nfs/dbraw/zinc/55/25/09/956552509.db2.gz BWNQOGILCZBBET-VGWMRTNUSA-N 2 0 289.423 1.121 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001330700203 956576461 /nfs/dbraw/zinc/57/64/61/956576461.db2.gz KWXHBOXJQWXQKI-SHTZXODSSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001494206842 972199458 /nfs/dbraw/zinc/19/94/58/972199458.db2.gz SUFCDPMGFUKURN-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C=CCC[N@@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001494214345 972200246 /nfs/dbraw/zinc/20/02/46/972200246.db2.gz UUJQLKGYGWPPJW-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCC[NH+]1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001316932892 957134794 /nfs/dbraw/zinc/13/47/94/957134794.db2.gz CHUOZUKXAAXCIW-UHFFFAOYSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317059759 957235332 /nfs/dbraw/zinc/23/53/32/957235332.db2.gz YRKGJSKAJKDSLF-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001317190176 957334102 /nfs/dbraw/zinc/33/41/02/957334102.db2.gz MXZIIVWRKSRUGW-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001317243527 957374012 /nfs/dbraw/zinc/37/40/12/957374012.db2.gz AVQTWEXDSLPQSA-GFCCVEGCSA-N 2 0 293.436 1.541 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001332043721 957412715 /nfs/dbraw/zinc/41/27/15/957412715.db2.gz ASEANILTGVJPPH-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001317321684 957423054 /nfs/dbraw/zinc/42/30/54/957423054.db2.gz HVJGXEHHDAKZBG-CABCVRRESA-N 2 0 297.418 1.128 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001332198086 957475440 /nfs/dbraw/zinc/47/54/40/957475440.db2.gz HYADBFLMNIYNLL-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317445580 957479387 /nfs/dbraw/zinc/47/93/87/957479387.db2.gz CBVSPQQNYFEJND-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001317544842 957541956 /nfs/dbraw/zinc/54/19/56/957541956.db2.gz SXPLEIGFHVDTMT-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001317561878 957556801 /nfs/dbraw/zinc/55/68/01/957556801.db2.gz PLMKNZFOKXINTL-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP CC#CC[NH+]1CC[C@@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001317806083 957672313 /nfs/dbraw/zinc/67/23/13/957672313.db2.gz RCMFJCUAQYKTKV-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001317840266 957689032 /nfs/dbraw/zinc/68/90/32/957689032.db2.gz PGTRDPRHPKTPKT-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001494924484 972337436 /nfs/dbraw/zinc/33/74/36/972337436.db2.gz KVEBKHKINLIQAY-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001494924530 972338127 /nfs/dbraw/zinc/33/81/27/972338127.db2.gz LXGQUOVRFUSIBO-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC001333771671 958583915 /nfs/dbraw/zinc/58/39/15/958583915.db2.gz OLOXKHWRUFNDNJ-IRXDYDNUSA-N 2 0 291.439 1.677 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001319635475 958664445 /nfs/dbraw/zinc/66/44/45/958664445.db2.gz WHLLDGZBUXILJT-HNNXBMFYSA-N 2 0 295.471 1.718 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCCC1 ZINC001319663402 958679201 /nfs/dbraw/zinc/67/92/01/958679201.db2.gz NALDASCESAWHPV-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001319711177 958695744 /nfs/dbraw/zinc/69/57/44/958695744.db2.gz HBFULTAXYMBGBA-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001320176008 958988808 /nfs/dbraw/zinc/98/88/08/958988808.db2.gz XECIAZZZTLVXRW-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001321282771 959696573 /nfs/dbraw/zinc/69/65/73/959696573.db2.gz ZFDNHEGHVQDZOF-ARJAWSKDSA-N 2 0 299.846 1.733 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001322281773 960166652 /nfs/dbraw/zinc/16/66/52/960166652.db2.gz RECVSEQCXHRUOI-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(C)C)C1CC1 ZINC001323016032 960408523 /nfs/dbraw/zinc/40/85/23/960408523.db2.gz TXJFDZIZPZNSGC-CVEARBPZSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001495481103 972516754 /nfs/dbraw/zinc/51/67/54/972516754.db2.gz FDTQSNOBGIFEHI-SHTZXODSSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(Cl)CN(C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420569335 963069524 /nfs/dbraw/zinc/06/95/24/963069524.db2.gz MXGYTVHEPSBYOK-YNEHKIRRSA-N 2 0 287.835 1.516 10 30 CDEERP C=CCC(CC=C)C(=O)NCCN1CCC([NH3+])CC1 ZINC001341057474 963257081 /nfs/dbraw/zinc/25/70/81/963257081.db2.gz VJUIJMVFDMXJLH-UHFFFAOYSA-N 2 0 265.401 1.294 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001420957037 963386028 /nfs/dbraw/zinc/38/60/28/963386028.db2.gz ZBOVXFDYGYZNIF-CYBMUJFWSA-N 2 0 299.846 1.852 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH3+] ZINC001343232844 963933209 /nfs/dbraw/zinc/93/32/09/963933209.db2.gz GCMTXCWWUHOURU-SNVBAGLBSA-N 2 0 253.733 1.554 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001442079573 964860317 /nfs/dbraw/zinc/86/03/17/964860317.db2.gz GGGKYZALZJKRSU-XJKSGUPXSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC001539017738 967078152 /nfs/dbraw/zinc/07/81/52/967078152.db2.gz RVDSDGDPVLIPIC-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[C@@]1(C(=O)NCc2cc(N(C)C)cc[nH+]2)CCC[NH2+]1 ZINC001522625299 970522799 /nfs/dbraw/zinc/52/27/99/970522799.db2.gz BVFRWXUIKJEWEG-INIZCTEOSA-N 2 0 288.395 1.462 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)CC[N@@H+](C)CCC ZINC001496211108 972842796 /nfs/dbraw/zinc/84/27/96/972842796.db2.gz UFARWCCXOHRYFQ-AWEZNQCLSA-N 2 0 267.417 1.178 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C1(C[NH+](C)C)CC1 ZINC001497659702 973452963 /nfs/dbraw/zinc/45/29/63/973452963.db2.gz AOLBQRQBNPLHNR-PLNGDYQASA-N 2 0 285.819 1.343 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001497817151 973534395 /nfs/dbraw/zinc/53/43/95/973534395.db2.gz MYPJZPHZZCGXTD-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001499264313 974224432 /nfs/dbraw/zinc/22/44/32/974224432.db2.gz VWFYKJNOXWRFGE-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001505816129 974994716 /nfs/dbraw/zinc/99/47/16/974994716.db2.gz FSHNNNAIRPIWMF-UHFFFAOYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001506037926 975095400 /nfs/dbraw/zinc/09/54/00/975095400.db2.gz CQRSATOMLGPAEA-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001506581487 975183113 /nfs/dbraw/zinc/18/31/13/975183113.db2.gz XWVKUEFLNLCUCH-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001507121820 975344867 /nfs/dbraw/zinc/34/48/67/975344867.db2.gz JNLHENHPTKJCPM-LSDHHAIUSA-N 2 0 283.460 1.975 10 30 CDEERP C=CC[NH+]1CC=C(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001508227116 975645619 /nfs/dbraw/zinc/64/56/19/975645619.db2.gz HMVGZMUUEXPSQA-OAHLLOKOSA-N 2 0 277.412 1.263 10 30 CDEERP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001391324170 976814980 /nfs/dbraw/zinc/81/49/80/976814980.db2.gz DRBQKOUAGYQWJD-KGLIPLIRSA-N 2 0 299.846 1.519 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001676766308 1174269742 /nfs/dbraw/zinc/26/97/42/1174269742.db2.gz BZFIRJOCMBXPAT-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC001677032607 1174308897 /nfs/dbraw/zinc/30/88/97/1174308897.db2.gz HHSMZCHEEBJEIY-UONOGXRCSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001570652364 1170223096 /nfs/dbraw/zinc/22/30/96/1170223096.db2.gz CUIZPNYCZTYDCU-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001571331000 1170369100 /nfs/dbraw/zinc/36/91/00/1170369100.db2.gz FAXPBKKBUAEHEB-GDBMZVCRSA-N 2 0 291.439 1.273 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001571567256 1170478744 /nfs/dbraw/zinc/47/87/44/1170478744.db2.gz KFKBXXDIRKTLOO-CABCVRRESA-N 2 0 293.455 1.423 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001671252274 1171244192 /nfs/dbraw/zinc/24/41/92/1171244192.db2.gz VTEFJARURDGXJM-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001656164092 1171781595 /nfs/dbraw/zinc/78/15/95/1171781595.db2.gz MBLYJMOYLBSAKX-IYBDPMFKSA-N 2 0 291.439 1.226 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000594438891 342906197 /nfs/dbraw/zinc/90/61/97/342906197.db2.gz QOBPGQUKPQKWSO-KBPBESRZSA-N 2 0 278.400 1.094 10 30 CDEERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CCCCC#N)C[C@@H]1C ZINC000594440094 342907065 /nfs/dbraw/zinc/90/70/65/342907065.db2.gz ZKSLXUYXQKWTSU-KKUMJFAQSA-N 2 0 294.443 1.729 10 30 CDEERP CC1(C#N)CCC([NH2+]CC2([NH3+])CCOCC2)CC1 ZINC000600710700 342243568 /nfs/dbraw/zinc/24/35/68/342243568.db2.gz RWDIPLOWWFMTTC-UHFFFAOYSA-N 2 0 251.374 1.556 10 30 CDEERP C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C1=CC[N@H+](C)CC1 ZINC000600736632 342244348 /nfs/dbraw/zinc/24/43/48/342244348.db2.gz SLQXRTLFMXWCDL-JSGCOSHPSA-N 2 0 263.385 1.281 10 30 CDEERP CCC(CC)(C[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426881 342904531 /nfs/dbraw/zinc/90/45/31/342904531.db2.gz RKTRAEHLDSSTLN-NSHDSACASA-N 2 0 254.378 1.031 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000595958738 343196195 /nfs/dbraw/zinc/19/61/95/343196195.db2.gz GYXAPQNJWJMQJB-SOUVJXGZSA-N 2 0 292.427 1.531 10 30 CDEERP C=C(C)C[N@@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000042289563 349308272 /nfs/dbraw/zinc/30/82/72/349308272.db2.gz QKDUTMFLHRLNHD-UHFFFAOYSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001661724540 1172434785 /nfs/dbraw/zinc/43/47/85/1172434785.db2.gz WGOUVQKSAXEQKB-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001662646244 1172575614 /nfs/dbraw/zinc/57/56/14/1172575614.db2.gz PFQKAQMAALVGFE-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001664751365 1172904597 /nfs/dbraw/zinc/90/45/97/1172904597.db2.gz YRTBIJOEWLZLHI-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCC[NH2+]1 ZINC000662766159 413462413 /nfs/dbraw/zinc/46/24/13/413462413.db2.gz ZFCOJUNTLUNFLG-LSDHHAIUSA-N 2 0 265.401 1.191 10 30 CDEERP CC(C)(C)[NH+]1CCN(Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683990 175092105 /nfs/dbraw/zinc/09/21/05/175092105.db2.gz DFSLPDJYOLLLIJ-UHFFFAOYSA-N 2 0 291.464 1.974 10 30 CDEERP COC[C@H](C)[N@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043683834 175092273 /nfs/dbraw/zinc/09/22/73/175092273.db2.gz WPAPTMYPSZSKIV-NSHDSACASA-N 2 0 252.383 1.525 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@H+](CCO)C2CCCC2)s1 ZINC000043684173 175092705 /nfs/dbraw/zinc/09/27/05/175092705.db2.gz PGLHAFFHWMOJHG-UHFFFAOYSA-N 2 0 278.421 1.795 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001665996926 1173100291 /nfs/dbraw/zinc/10/02/91/1173100291.db2.gz ZPHCSSJTERREFQ-WBVHZDCISA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001667492797 1173275661 /nfs/dbraw/zinc/27/56/61/1173275661.db2.gz DDNBDPQPFBZBPV-GJZGRUSLSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000334913251 277775336 /nfs/dbraw/zinc/77/53/36/277775336.db2.gz XETNTDLNGKYOCF-JSGCOSHPSA-N 2 0 280.416 1.158 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001672863495 1173806044 /nfs/dbraw/zinc/80/60/44/1173806044.db2.gz MXKBTBVJNUCWDM-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP CC(C)C[N@@H+]1CCCC[C@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262473024 330015901 /nfs/dbraw/zinc/01/59/01/330015901.db2.gz BQFYQZINWIGTDY-OLZOCXBDSA-N 2 0 252.406 1.434 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001672537487 1159751982 /nfs/dbraw/zinc/75/19/82/1159751982.db2.gz IKVGGUYIOQHMBL-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001717472732 1180693466 /nfs/dbraw/zinc/69/34/66/1180693466.db2.gz QNHLLPMUQLAWJK-ZIAGYGMSSA-N 2 0 267.417 1.482 10 30 CDEERP C=C(C)C[N@H+](CCC)CCNC(=O)C[NH+]1CCCC1 ZINC001731873733 1182641832 /nfs/dbraw/zinc/64/18/32/1182641832.db2.gz PAOFVNUDQHXTAG-UHFFFAOYSA-N 2 0 267.417 1.487 10 30 CDEERP CCN[C@@H](C#N)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000062436812 520058740 /nfs/dbraw/zinc/05/87/40/520058740.db2.gz SZDNYCZMRGKKLS-CQSZACIVSA-N 2 0 252.406 1.152 10 30 CDEERP [NH3+]CC#Cc1cccc(C[N@@H+]2CCCC[C@H]2CO)c1 ZINC000049609790 527152574 /nfs/dbraw/zinc/15/25/74/527152574.db2.gz BLSSQHHEMLPQNS-INIZCTEOSA-N 2 0 258.365 1.344 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CCC23CC[NH+](C)CC3)CC1 ZINC000747978284 576891107 /nfs/dbraw/zinc/89/11/07/576891107.db2.gz JWSKCQCADZDEKQ-UHFFFAOYSA-N 2 0 289.423 1.028 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001688933253 1175072137 /nfs/dbraw/zinc/07/21/37/1175072137.db2.gz CWSHJALLKFSLDR-RBSFLKMASA-N 2 0 297.418 1.174 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]C(C)C)[C@@H](C)C2)CC1 ZINC000939810215 613129733 /nfs/dbraw/zinc/12/97/33/613129733.db2.gz LMQJEADDEKSCQI-HOCLYGCPSA-N 2 0 291.439 1.177 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000939810521 613349966 /nfs/dbraw/zinc/34/99/66/613349966.db2.gz NBYGFEGAWCRIDD-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941031509 613781552 /nfs/dbraw/zinc/78/15/52/613781552.db2.gz AFBZPIWXCVVVMP-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C#C[C@](C)(CC)[NH2+]CC(=O)NC[C@H](C)[NH2+][C@](C)(C#C)CC ZINC000930601779 617464129 /nfs/dbraw/zinc/46/41/29/617464129.db2.gz WNUBXDOTBANTAA-USXIJHARSA-N 2 0 291.439 1.274 10 30 CDEERP N#C[C@H]1CCC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925848080 617884614 /nfs/dbraw/zinc/88/46/14/617884614.db2.gz ZTSNHJXKOVRNNP-HOTGVXAUSA-N 2 0 278.444 1.734 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000900010339 622633176 /nfs/dbraw/zinc/63/31/76/622633176.db2.gz XQCKDIMZULDFCQ-UHFFFAOYSA-N 2 0 255.406 1.198 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000900802558 623553784 /nfs/dbraw/zinc/55/37/84/623553784.db2.gz WFHPRZNXXCREQY-CABCVRRESA-N 2 0 281.444 1.826 10 30 CDEERP C[NH2+]CCOCC[N@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000903474424 626004732 /nfs/dbraw/zinc/00/47/32/626004732.db2.gz LSUDZTWRPNJFPU-UHFFFAOYSA-N 2 0 275.396 1.843 10 30 CDEERP C=CC[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H](C)COC ZINC000903768194 626085433 /nfs/dbraw/zinc/08/54/33/626085433.db2.gz LTUVXMQFEGNSQW-KKUMJFAQSA-N 2 0 268.401 1.278 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+](C)CCCC ZINC000908251344 628094732 /nfs/dbraw/zinc/09/47/32/628094732.db2.gz VQFUTSAVFBKBPV-AWEZNQCLSA-N 2 0 269.433 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](CC)C[C@H]1C ZINC000910267174 628938945 /nfs/dbraw/zinc/93/89/45/628938945.db2.gz QCWGNBZITMXAJU-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000912282330 629890501 /nfs/dbraw/zinc/89/05/01/629890501.db2.gz CJRVKFNINOTCHN-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001699963233 1158868453 /nfs/dbraw/zinc/86/84/53/1158868453.db2.gz LMWJXZVDIDFROB-LSDHHAIUSA-N 2 0 291.439 1.036 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001691180665 1158947352 /nfs/dbraw/zinc/94/73/52/1158947352.db2.gz HDXJHUIRSNEJOW-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001692007535 1158926529 /nfs/dbraw/zinc/92/65/29/1158926529.db2.gz SOZWSULKLLYBLP-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267129448 1159131212 /nfs/dbraw/zinc/13/12/12/1159131212.db2.gz PMQYSVHLHSXMBM-HIFRSBDPSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001671369399 1159177028 /nfs/dbraw/zinc/17/70/28/1159177028.db2.gz WRGMRBMEJIXQNW-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1 ZINC001481683997 1159874928 /nfs/dbraw/zinc/87/49/28/1159874928.db2.gz DHYAPQUDOCURNZ-ILXRZTDVSA-N 2 0 288.395 1.523 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001611392249 1165493042 /nfs/dbraw/zinc/49/30/42/1165493042.db2.gz LPZRDWJIGGPGFO-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001275310130 1166665745 /nfs/dbraw/zinc/66/57/45/1166665745.db2.gz BENDQGAQBYXGNW-RUXDESIVSA-N 2 0 267.417 1.243 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567701183 1168926193 /nfs/dbraw/zinc/92/61/93/1168926193.db2.gz DNZSKFIYDFHNMO-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001568709656 1169440493 /nfs/dbraw/zinc/44/04/93/1169440493.db2.gz CTJBMSSANGFMPR-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001569873761 1170023587 /nfs/dbraw/zinc/02/35/87/1170023587.db2.gz SVTIUCORKJRYQG-OWCLPIDISA-N 2 0 291.439 1.437 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001570046553 1170063248 /nfs/dbraw/zinc/06/32/48/1170063248.db2.gz CQTXBDONSYAYJQ-RBSFLKMASA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001570192701 1170106239 /nfs/dbraw/zinc/10/62/39/1170106239.db2.gz OZJPICKYZWAFHY-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001570804741 1170282714 /nfs/dbraw/zinc/28/27/14/1170282714.db2.gz URQNQVCWGZMHGQ-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001570815677 1170286327 /nfs/dbraw/zinc/28/63/27/1170286327.db2.gz IBHFUDVEKXLUEE-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570822984 1170288039 /nfs/dbraw/zinc/28/80/39/1170288039.db2.gz OYWXRVQHZJZHSU-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001571562919 1170478560 /nfs/dbraw/zinc/47/85/60/1170478560.db2.gz YJIUMPZTPSOYLU-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1CC1 ZINC001666563266 1173152215 /nfs/dbraw/zinc/15/22/15/1173152215.db2.gz KTDIHCJQTNZAFE-ZBFHGGJFSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001669293412 1173531588 /nfs/dbraw/zinc/53/15/88/1173531588.db2.gz MDSRATMWRDBRLE-MGPQQGTHSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001672796817 1173800593 /nfs/dbraw/zinc/80/05/93/1173800593.db2.gz WLSNVJSJSSRMOI-HOCLYGCPSA-N 2 0 291.439 1.342 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001673491738 1173864082 /nfs/dbraw/zinc/86/40/82/1173864082.db2.gz QYSYBMBDGCXDIZ-UHFFFAOYSA-N 2 0 293.455 1.666 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001689905966 1175302966 /nfs/dbraw/zinc/30/29/66/1175302966.db2.gz QUOCZWNIGYTQOS-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001691978984 1175661314 /nfs/dbraw/zinc/66/13/14/1175661314.db2.gz BWNHUAWVCLIFDQ-CVEARBPZSA-N 2 0 291.439 1.132 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001698775761 1175927528 /nfs/dbraw/zinc/92/75/28/1175927528.db2.gz SCKWJYUUIMFEPN-AWEZNQCLSA-N 2 0 267.417 1.246 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001698883815 1175975707 /nfs/dbraw/zinc/97/57/07/1175975707.db2.gz GEQOUJZVVPKQKU-HOTGVXAUSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001698899115 1175980109 /nfs/dbraw/zinc/98/01/09/1175980109.db2.gz OZUSBXGCIFHMKW-GOEBONIOSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001699474064 1176433038 /nfs/dbraw/zinc/43/30/38/1176433038.db2.gz IGNUXLQQAVTYKL-CYBMUJFWSA-N 2 0 255.406 1.339 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001699967171 1176700544 /nfs/dbraw/zinc/70/05/44/1176700544.db2.gz GUUWELNKTSNXHN-GOEBONIOSA-N 2 0 291.439 1.036 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001700130290 1176761763 /nfs/dbraw/zinc/76/17/63/1176761763.db2.gz FMMRURSJBGRPFF-OAHLLOKOSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCC[N@@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001700194218 1176793050 /nfs/dbraw/zinc/79/30/50/1176793050.db2.gz MFBGYFRDZWVJGL-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001700282571 1176830444 /nfs/dbraw/zinc/83/04/44/1176830444.db2.gz UQJHAWLDEZOZLC-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001700480564 1176970468 /nfs/dbraw/zinc/97/04/68/1176970468.db2.gz KVQDQNBXWRYSJU-AWEZNQCLSA-N 2 0 289.423 1.984 10 30 CDEERP C#CC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001707462470 1178059241 /nfs/dbraw/zinc/05/92/41/1178059241.db2.gz QOOGUHPSRUOVGA-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713172804 1178412760 /nfs/dbraw/zinc/41/27/60/1178412760.db2.gz HDGVQJQLLMFJQT-KKUMJFAQSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713378742 1178528814 /nfs/dbraw/zinc/52/88/14/1178528814.db2.gz IZFVMMMCAQARTG-ZIAGYGMSSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001713520673 1178622478 /nfs/dbraw/zinc/62/24/78/1178622478.db2.gz ZEDPUFFFSCDPHZ-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001713667821 1178702472 /nfs/dbraw/zinc/70/24/72/1178702472.db2.gz PBMXBXWYNMRKRL-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001713694667 1178713707 /nfs/dbraw/zinc/71/37/07/1178713707.db2.gz RVAANOIPOMBOIY-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001714050087 1178946233 /nfs/dbraw/zinc/94/62/33/1178946233.db2.gz MYTYSUAKVUUUFI-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714418570 1179130419 /nfs/dbraw/zinc/13/04/19/1179130419.db2.gz BTNWZZDUZCVCOK-CQSZACIVSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714442599 1179142474 /nfs/dbraw/zinc/14/24/74/1179142474.db2.gz NYYBIVUBVZDFNY-OAHLLOKOSA-N 2 0 279.428 1.084 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001714495647 1179171756 /nfs/dbraw/zinc/17/17/56/1179171756.db2.gz KETOSBDMOOSPAA-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCC(=C)C)CC1 ZINC001714573166 1179227831 /nfs/dbraw/zinc/22/78/31/1179227831.db2.gz VAELPIKMQGDELR-UHFFFAOYSA-N 2 0 291.439 1.346 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714623555 1179273984 /nfs/dbraw/zinc/27/39/84/1179273984.db2.gz KOVMOCGZROSSNJ-RBSFLKMASA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001714862068 1179426684 /nfs/dbraw/zinc/42/66/84/1179426684.db2.gz FVBFSTNILSCNTA-OWCLPIDISA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001714978887 1179488523 /nfs/dbraw/zinc/48/85/23/1179488523.db2.gz OPQNJIJDPAODLT-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715081572 1179544352 /nfs/dbraw/zinc/54/43/52/1179544352.db2.gz OBMVLCKIJMFCAC-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715155214 1179565732 /nfs/dbraw/zinc/56/57/32/1179565732.db2.gz XKCAPVARAKARPD-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001715191588 1179573401 /nfs/dbraw/zinc/57/34/01/1179573401.db2.gz QCGLXVHCAQYYKJ-SHTZXODSSA-N 2 0 277.412 1.123 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001715467212 1179674116 /nfs/dbraw/zinc/67/41/16/1179674116.db2.gz ZPTSIMGDLBFONT-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001715493107 1179681981 /nfs/dbraw/zinc/68/19/81/1179681981.db2.gz JATORFQZWRXMOC-HNNXBMFYSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001715506947 1179687118 /nfs/dbraw/zinc/68/71/18/1179687118.db2.gz NTENPSOCCXVTGL-HUUCEWRRSA-N 2 0 281.444 1.326 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001716145899 1180070851 /nfs/dbraw/zinc/07/08/51/1180070851.db2.gz UWUDLCVAEMZUGE-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001716414867 1180194147 /nfs/dbraw/zinc/19/41/47/1180194147.db2.gz WCZCOTFUHNRUFM-KGLIPLIRSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001716551377 1180281433 /nfs/dbraw/zinc/28/14/33/1180281433.db2.gz ZBYRZUXZIJHTRX-CYBMUJFWSA-N 2 0 276.384 1.070 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001716783191 1180413757 /nfs/dbraw/zinc/41/37/57/1180413757.db2.gz DLWPBNNZCUPNIG-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001716874274 1180449291 /nfs/dbraw/zinc/44/92/91/1180449291.db2.gz KSLQMEIBVYEQGJ-NVXWUHKLSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001716895532 1180457128 /nfs/dbraw/zinc/45/71/28/1180457128.db2.gz JYKYWDNBGVHYTP-WBVHZDCISA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001717236279 1180586280 /nfs/dbraw/zinc/58/62/80/1180586280.db2.gz QECCMKPTDWYNEV-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717487617 1180703876 /nfs/dbraw/zinc/70/38/76/1180703876.db2.gz UPIYBWBWQIBHNZ-UONOGXRCSA-N 2 0 269.433 1.585 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001717972240 1180952889 /nfs/dbraw/zinc/95/28/89/1180952889.db2.gz CHEIXXUKSZCMAV-UONOGXRCSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001723303035 1181535056 /nfs/dbraw/zinc/53/50/56/1181535056.db2.gz WKMRYQHETANJEX-HZPDHXFCSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC1 ZINC001723349748 1181542517 /nfs/dbraw/zinc/54/25/17/1181542517.db2.gz FJHPJHTVOYKMGH-RDJZCZTQSA-N 2 0 291.439 1.533 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001724077845 1181633637 /nfs/dbraw/zinc/63/36/37/1181633637.db2.gz RNANDKOLBWHRQZ-CVEARBPZSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001724213344 1181655009 /nfs/dbraw/zinc/65/50/09/1181655009.db2.gz FRIPHTUQQDCLBB-NVXWUHKLSA-N 2 0 291.439 1.342 10 30 CDEERP C=C(C)C[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001731338938 1182328882 /nfs/dbraw/zinc/32/88/82/1182328882.db2.gz LQSSTQUMTOXMKF-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001731547113 1182445253 /nfs/dbraw/zinc/44/52/53/1182445253.db2.gz KCWORINAPDQDNT-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001732137675 1182794677 /nfs/dbraw/zinc/79/46/77/1182794677.db2.gz LRYXPRKYIBCKCK-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[NH+]1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CCC)C1 ZINC001732185737 1182840775 /nfs/dbraw/zinc/84/07/75/1182840775.db2.gz PLKLCJXWXNOHMQ-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732344408 1182918080 /nfs/dbraw/zinc/91/80/80/1182918080.db2.gz WJNMDEFLOJYSQI-KGLIPLIRSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001732630292 1183056828 /nfs/dbraw/zinc/05/68/28/1183056828.db2.gz ZJXSZYXBSHMUGT-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001733223856 1183352245 /nfs/dbraw/zinc/35/22/45/1183352245.db2.gz PFXTZRZIDLWQMH-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001733364164 1183410636 /nfs/dbraw/zinc/41/06/36/1183410636.db2.gz ZNYMWWBGUVHFBC-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001733464498 1183438669 /nfs/dbraw/zinc/43/86/69/1183438669.db2.gz ROMXIBFKVWSMRX-WBVHZDCISA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001733605960 1183477348 /nfs/dbraw/zinc/47/73/48/1183477348.db2.gz GICPVGBHEMGJSG-KBPBESRZSA-N 2 0 265.401 1.189 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001733867181 1183554741 /nfs/dbraw/zinc/55/47/41/1183554741.db2.gz AQJUUGZABJSDNC-HNNXBMFYSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001734061246 1183643018 /nfs/dbraw/zinc/64/30/18/1183643018.db2.gz YMMSRHBKPLWHIQ-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001734295117 1183716998 /nfs/dbraw/zinc/71/69/98/1183716998.db2.gz JFSKYFRIUJKMQH-MRXNPFEDSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001734425770 1183775064 /nfs/dbraw/zinc/77/50/64/1183775064.db2.gz NTMPNRNMYXQPEX-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001734429356 1183776352 /nfs/dbraw/zinc/77/63/52/1183776352.db2.gz DLWDOFYUGFTMEP-KBPBESRZSA-N 2 0 265.401 1.237 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001734554567 1183823985 /nfs/dbraw/zinc/82/39/85/1183823985.db2.gz NRLDJPRAWPAKGR-HNNXBMFYSA-N 2 0 279.428 1.130 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001734576085 1183831589 /nfs/dbraw/zinc/83/15/89/1183831589.db2.gz LHPSNVROVMRHSB-STQMWFEESA-N 2 0 267.417 1.245 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000876526138 751382815 /nfs/dbraw/zinc/38/28/15/751382815.db2.gz SUAILNUHLAAHJB-WDEREUQCSA-N 2 0 259.781 1.057 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1=CCCC1 ZINC000133894519 751659152 /nfs/dbraw/zinc/65/91/52/751659152.db2.gz LBMFHHXYXVFCEK-CQSZACIVSA-N 2 0 264.417 1.875 10 30 CDEERP C[N@H+](CCNC(=O)C#CC1CC[NH2+]CC1)C1CCCCC1 ZINC000852859476 749452728 /nfs/dbraw/zinc/45/27/28/749452728.db2.gz VEMBNEPXGVKLJZ-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP Cn1cncc1CCC[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000847008500 749633741 /nfs/dbraw/zinc/63/37/41/749633741.db2.gz KRMKKXSWMCRODP-KRWDZBQOSA-N 2 0 298.390 1.890 10 30 CDEERP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925609177 749848501 /nfs/dbraw/zinc/84/85/01/749848501.db2.gz PUIWXYULEWRGLV-HUUCEWRRSA-N 2 0 263.429 1.886 10 30 CDEERP C=CC[C@@]1(C(=O)Nc2cccc(OCC[NH3+])c2)CCC[NH2+]1 ZINC000852795749 749876963 /nfs/dbraw/zinc/87/69/63/749876963.db2.gz JXPMQYFSXPZPGJ-INIZCTEOSA-N 2 0 289.379 1.661 10 30 CDEERP C=CC[C@@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879594241 750303684 /nfs/dbraw/zinc/30/36/84/750303684.db2.gz BZZSQSTTYPMWOW-CQSZACIVSA-N 2 0 251.418 1.663 10 30 CDEERP CN(C(=O)[C@H]([NH3+])CCCCC#N)C1CCC([NH3+])CC1 ZINC000848395302 750334410 /nfs/dbraw/zinc/33/44/10/750334410.db2.gz BHXZGGMBBCDHAS-WXRRBKDZSA-N 2 0 266.389 1.126 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)CCC[NH2+]1 ZINC000877451783 750431979 /nfs/dbraw/zinc/43/19/79/750431979.db2.gz QFQLSAWEYGCRNS-OFQRWUPVSA-N 2 0 277.412 1.380 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCCCCC[NH3+] ZINC000877436396 750829215 /nfs/dbraw/zinc/82/92/15/750829215.db2.gz HFYKVOIXXGLQHS-LLVKDONJSA-N 2 0 261.797 1.434 10 30 CDEERP C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@H+]1CCOC ZINC000849001880 751319064 /nfs/dbraw/zinc/31/90/64/751319064.db2.gz OVYUNUSCKRBADQ-ZDUSSCGKSA-N 2 0 294.399 1.055 10 30 CDEERP C#CCC1([NH2+]C[C@@H](O)CN(C)C2CC2)CCCCC1 ZINC000933266633 752443362 /nfs/dbraw/zinc/44/33/62/752443362.db2.gz XKJPTOPEDSGHHZ-OAHLLOKOSA-N 2 0 264.413 1.757 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000876716539 753018650 /nfs/dbraw/zinc/01/86/50/753018650.db2.gz HGYUKHWAIZNUPI-GFCCVEGCSA-N 2 0 273.808 1.399 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000876799548 753018882 /nfs/dbraw/zinc/01/88/82/753018882.db2.gz HLFFNUREONJGPI-BJDJZHNGSA-N 2 0 271.792 1.042 10 30 CDEERP N#C[C@H]1CCC[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925811583 753394348 /nfs/dbraw/zinc/39/43/48/753394348.db2.gz JEOYKBMIEWGLNG-JSGCOSHPSA-N 2 0 250.390 1.081 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000876779576 1165914929 /nfs/dbraw/zinc/91/49/29/1165914929.db2.gz JOIXMAODSROXBW-CYBMUJFWSA-N 2 0 294.786 1.200 10 30 CDEERP C#CC[NH2+][C@H]1CCCCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001566075504 1168229400 /nfs/dbraw/zinc/22/94/00/1168229400.db2.gz MFSWEOIXKSSVQL-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCOCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001566634919 1168362905 /nfs/dbraw/zinc/36/29/05/1168362905.db2.gz MFPBFQNONUOWFG-OAHLLOKOSA-N 2 0 297.443 1.110 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001566739714 1168405557 /nfs/dbraw/zinc/40/55/57/1168405557.db2.gz HTVFRWOWFAYIHV-OWCLPIDISA-N 2 0 293.455 1.683 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001566742728 1168406199 /nfs/dbraw/zinc/40/61/99/1168406199.db2.gz BMSNLCDDDCZFBN-HNNXBMFYSA-N 2 0 291.439 1.132 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001566912773 1168463826 /nfs/dbraw/zinc/46/38/26/1168463826.db2.gz HVIAGVRRWHDMKV-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCC[N@@H+](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001567309262 1168671324 /nfs/dbraw/zinc/67/13/24/1168671324.db2.gz VHQFGOAVZKRPFM-UHFFFAOYSA-N 2 0 289.423 1.986 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001567329134 1168684563 /nfs/dbraw/zinc/68/45/63/1168684563.db2.gz VPSUKNWCLLXPDB-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001283175341 896072926 /nfs/dbraw/zinc/07/29/26/896072926.db2.gz AQHOIAZUJSXIEV-SOUVJXGZSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001267508628 898186977 /nfs/dbraw/zinc/18/69/77/898186977.db2.gz DDYHHVPNUYWHSZ-AWEZNQCLSA-N 2 0 267.417 1.177 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001267585414 898565649 /nfs/dbraw/zinc/56/56/49/898565649.db2.gz VJOUCAGUEMOMPN-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267681088 899266727 /nfs/dbraw/zinc/26/67/27/899266727.db2.gz HZZHWYQHKDFNEO-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267686127 899283083 /nfs/dbraw/zinc/28/30/83/899283083.db2.gz OBRFUOZHLKSQDF-AWEZNQCLSA-N 2 0 267.417 1.197 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267732490 899429406 /nfs/dbraw/zinc/42/94/06/899429406.db2.gz RLVXSSQVCKLOQX-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001567686863 1168917281 /nfs/dbraw/zinc/91/72/81/1168917281.db2.gz RFOSOLWGFIECQT-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267963705 900094100 /nfs/dbraw/zinc/09/41/00/900094100.db2.gz AHJDHLVRJAIPFE-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001267966238 900104530 /nfs/dbraw/zinc/10/45/30/900104530.db2.gz KCSAJJFJQUNYRQ-QGZVFWFLSA-N 2 0 299.418 1.576 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001481337006 900444726 /nfs/dbraw/zinc/44/47/26/900444726.db2.gz YRXYTSBKOYNBNZ-AWEZNQCLSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001481438196 900666760 /nfs/dbraw/zinc/66/67/60/900666760.db2.gz MEUSOLACTPLNRY-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001268288068 901752963 /nfs/dbraw/zinc/75/29/63/901752963.db2.gz IRHKQYPGDSCNSC-LSDHHAIUSA-N 2 0 291.439 1.533 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001481703560 901845169 /nfs/dbraw/zinc/84/51/69/901845169.db2.gz VOQIUVBPWPQAFA-RRFJBIMHSA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481708485 901869423 /nfs/dbraw/zinc/86/94/23/901869423.db2.gz VWGLLCJKSOGBPH-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001268674123 902937391 /nfs/dbraw/zinc/93/73/91/902937391.db2.gz PTDPHTNNMZVNII-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)c1ccc(-n2ccnc2)cc1 ZINC001268698524 902983150 /nfs/dbraw/zinc/98/31/50/902983150.db2.gz ZTGNMDBLLYCUQN-ZDUSSCGKSA-N 2 0 282.347 1.213 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001268741375 903068812 /nfs/dbraw/zinc/06/88/12/903068812.db2.gz QUXRAGOVUFTMFI-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1CC ZINC001269180801 903511225 /nfs/dbraw/zinc/51/12/25/903511225.db2.gz FNTRHKFSSOXMCU-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269293707 903668559 /nfs/dbraw/zinc/66/85/59/903668559.db2.gz ZVBLZKMCCAQDKA-LSDHHAIUSA-N 2 0 279.428 1.129 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001269453914 903820581 /nfs/dbraw/zinc/82/05/81/903820581.db2.gz IHNYGUHGEAVFOT-SOUVJXGZSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001269943075 904224811 /nfs/dbraw/zinc/22/48/11/904224811.db2.gz HUDBUNZLSWHODS-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001270083510 904335909 /nfs/dbraw/zinc/33/59/09/904335909.db2.gz OWJCIIRQUKJPMD-CQSZACIVSA-N 2 0 277.412 1.381 10 30 CDEERP C#CCC[NH+]1CCC(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001270151059 904396806 /nfs/dbraw/zinc/39/68/06/904396806.db2.gz KRJDVXNGOUXAPV-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[NH+]1CC[C@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001270624024 904830419 /nfs/dbraw/zinc/83/04/19/904830419.db2.gz MLEXOBQUJCCWMX-ZBFHGGJFSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001270745261 905009608 /nfs/dbraw/zinc/00/96/08/905009608.db2.gz XUDBLFIIEXXYGN-DOTOQJQBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001271012249 905548601 /nfs/dbraw/zinc/54/86/01/905548601.db2.gz DGJDQDPLSPDUCW-UONOGXRCSA-N 2 0 269.433 1.729 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001271128871 905744580 /nfs/dbraw/zinc/74/45/80/905744580.db2.gz IZCOKKYZDNADOQ-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001271286191 906229005 /nfs/dbraw/zinc/22/90/05/906229005.db2.gz QTWVAIGCVXJDGC-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001482550517 907005244 /nfs/dbraw/zinc/00/52/44/907005244.db2.gz HCFDCQXZGIBJLP-OAHLLOKOSA-N 2 0 281.444 1.635 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001482698016 908294027 /nfs/dbraw/zinc/29/40/27/908294027.db2.gz IPHYZDOJESYUOF-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001483050435 909046262 /nfs/dbraw/zinc/04/62/62/909046262.db2.gz WJCYYAFHRBVQNY-FYCOFBDGSA-N 2 0 291.439 1.394 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001483067499 909251113 /nfs/dbraw/zinc/25/11/13/909251113.db2.gz DUERVGMFRHSQKF-RYIMYRPNSA-N 2 0 277.412 1.451 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483339772 910937778 /nfs/dbraw/zinc/93/77/78/910937778.db2.gz SSZGJNOXJGNTJB-HNNXBMFYSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001484756965 916148160 /nfs/dbraw/zinc/14/81/60/916148160.db2.gz HSDFTZLFTJSDLV-UHFFFAOYSA-N 2 0 279.428 1.132 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001484937920 916290146 /nfs/dbraw/zinc/29/01/46/916290146.db2.gz ZAHCKIRPZKXAKS-GJZGRUSLSA-N 2 0 295.471 1.975 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001484997057 916360880 /nfs/dbraw/zinc/36/08/80/916360880.db2.gz QZKZLIHHGDPHOU-QLFBSQMISA-N 2 0 281.444 1.920 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485197027 916641830 /nfs/dbraw/zinc/64/18/30/916641830.db2.gz CFOFBBIHXUQZNJ-KBPBESRZSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001491119194 936861000 /nfs/dbraw/zinc/86/10/00/936861000.db2.gz CAJINWZOOKFVLQ-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP N#Cc1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)o1 ZINC000923447730 923833489 /nfs/dbraw/zinc/83/34/89/923833489.db2.gz WHCRJAPAHWTSPG-CQSZACIVSA-N 2 0 275.352 1.481 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001491455723 936919444 /nfs/dbraw/zinc/91/94/44/936919444.db2.gz IXHIQPYXYAJMIA-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001494877883 925980281 /nfs/dbraw/zinc/98/02/81/925980281.db2.gz YFGJLCUHVPIFQB-HNNXBMFYSA-N 2 0 277.412 1.028 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001273365507 926451062 /nfs/dbraw/zinc/45/10/62/926451062.db2.gz IMFDCJFXNDKDOH-HNNXBMFYSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001488804873 926697114 /nfs/dbraw/zinc/69/71/14/926697114.db2.gz MVXUJCLZYRGYNO-FPCVCCKLSA-N 2 0 293.455 1.920 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001490270909 927069581 /nfs/dbraw/zinc/06/95/81/927069581.db2.gz XSWVFVYSVLBZEX-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001490412834 927169910 /nfs/dbraw/zinc/16/99/10/927169910.db2.gz QNXZGHVIAXEECA-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001490711657 927295707 /nfs/dbraw/zinc/29/57/07/927295707.db2.gz ZNZWOJZOAMDWNY-SMDDNHRTSA-N 2 0 299.846 1.565 10 30 CDEERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852865345 927902039 /nfs/dbraw/zinc/90/20/39/927902039.db2.gz ZTDBCEVRHYNNJP-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCOCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001275623700 931912171 /nfs/dbraw/zinc/91/21/71/931912171.db2.gz YMJANDULBKFIAI-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C[C@H](NC[C@H](O)CC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119732564 937752027 /nfs/dbraw/zinc/75/20/27/937752027.db2.gz MTSFHWPWQRVBAT-KCQAQPDRSA-N 2 0 265.401 1.504 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]1c1ccccc1 ZINC000303792254 935043699 /nfs/dbraw/zinc/04/36/99/935043699.db2.gz YIPZTCBNKZGBCY-BZUAXINKSA-N 2 0 286.423 1.931 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]C(C)C)CC1 ZINC001568714545 1169442746 /nfs/dbraw/zinc/44/27/46/1169442746.db2.gz VOEVMPOWJPNGPG-AWEZNQCLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCN1CCC[C@@H]([NH2+]CC2CC[NH+](CC)CC2)C1 ZINC001207536196 940212239 /nfs/dbraw/zinc/21/22/39/940212239.db2.gz RUXMCOTULQGPTO-MRXNPFEDSA-N 2 0 263.429 1.406 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001277007850 941808125 /nfs/dbraw/zinc/80/81/25/941808125.db2.gz HLEPRIOQLUVXND-BZUAXINKSA-N 2 0 291.439 1.224 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001280451894 942444674 /nfs/dbraw/zinc/44/46/74/942444674.db2.gz HCSOYAXUPKQBSK-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001282207913 942678650 /nfs/dbraw/zinc/67/86/50/942678650.db2.gz RDJDZBXHYWWAFU-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001282461575 942717237 /nfs/dbraw/zinc/71/72/37/942717237.db2.gz NMNPQIQLBAZXEU-CQSZACIVSA-N 2 0 281.444 1.424 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001282740301 942747706 /nfs/dbraw/zinc/74/77/06/942747706.db2.gz YYWGQIUNMDMRLU-JSGCOSHPSA-N 2 0 267.417 1.339 10 30 CDEERP C=CC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001282811246 942754749 /nfs/dbraw/zinc/75/47/49/942754749.db2.gz NJIGKGHRNVVIIW-ZDUSSCGKSA-N 2 0 279.428 1.483 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC ZINC001283617398 942948656 /nfs/dbraw/zinc/94/86/56/942948656.db2.gz IEFUZPAHEHZHPV-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001264157401 944091614 /nfs/dbraw/zinc/09/16/14/944091614.db2.gz FIVDEIUAKIOTHG-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265456491 944395125 /nfs/dbraw/zinc/39/51/25/944395125.db2.gz VUMMFMBURFADKE-UONOGXRCSA-N 2 0 267.417 1.339 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001265491761 944407660 /nfs/dbraw/zinc/40/76/60/944407660.db2.gz BXBMLAZOZRRDTH-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001265947603 944589792 /nfs/dbraw/zinc/58/97/92/944589792.db2.gz QSGAZIYFCYAKIU-ZDUSSCGKSA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001265987143 944616084 /nfs/dbraw/zinc/61/60/84/944616084.db2.gz UIXSZBLEGSRXOE-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266154840 944720810 /nfs/dbraw/zinc/72/08/10/944720810.db2.gz HEDIUFLLGNSCDS-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC(=C)C)CC1 ZINC001278177350 945028655 /nfs/dbraw/zinc/02/86/55/945028655.db2.gz OVKRUTMNSXBVAW-UHFFFAOYSA-N 2 0 291.439 1.440 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001568880333 1169531609 /nfs/dbraw/zinc/53/16/09/1169531609.db2.gz YZDCOIMOVCUZOQ-SNAWJCMRSA-N 2 0 277.412 1.453 10 30 CDEERP C=CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001278422493 947874699 /nfs/dbraw/zinc/87/46/99/947874699.db2.gz DUJFANJUILAXRG-GJZGRUSLSA-N 2 0 297.443 1.108 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001479846601 971451164 /nfs/dbraw/zinc/45/11/64/971451164.db2.gz MOAICNQISBFRBH-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC1 ZINC001480062628 971561293 /nfs/dbraw/zinc/56/12/93/971561293.db2.gz LLHNQHPEKPIKNJ-RDJZCZTQSA-N 2 0 291.439 1.533 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001480555219 971781095 /nfs/dbraw/zinc/78/10/95/971781095.db2.gz PJFZKJDRGXGQQR-CYBMUJFWSA-N 2 0 275.396 1.642 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001493233224 971991944 /nfs/dbraw/zinc/99/19/44/971991944.db2.gz KFSYKSCNTHDUKQ-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001316656692 954531628 /nfs/dbraw/zinc/53/16/28/954531628.db2.gz ZKUJIYRKXPTLTH-XHSDSOJGSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001491806295 955472643 /nfs/dbraw/zinc/47/26/43/955472643.db2.gz YGNXEFONAAHACT-RBSFLKMASA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001317193869 955813706 /nfs/dbraw/zinc/81/37/06/955813706.db2.gz OPNZKWVHDKBGFV-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001329763934 956102911 /nfs/dbraw/zinc/10/29/11/956102911.db2.gz BPDIECFNDVLZLB-LSDHHAIUSA-N 2 0 281.444 1.587 10 30 CDEERP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001330475098 956445327 /nfs/dbraw/zinc/44/53/27/956445327.db2.gz LXNPJVVKZBEFPE-XHSDSOJGSA-N 2 0 293.455 1.729 10 30 CDEERP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001480727147 956648366 /nfs/dbraw/zinc/64/83/66/956648366.db2.gz QMANETAAXXJDHN-LSDHHAIUSA-N 2 0 299.434 1.775 10 30 CDEERP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001316997990 957191472 /nfs/dbraw/zinc/19/14/72/957191472.db2.gz IFYIWXOJMGFNSE-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[N@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317134721 957297177 /nfs/dbraw/zinc/29/71/77/957297177.db2.gz CBCDCEQOHSXOJS-CQSZACIVSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317158589 957310692 /nfs/dbraw/zinc/31/06/92/957310692.db2.gz UUJWLSGOOXETQI-LSDHHAIUSA-N 2 0 279.428 1.034 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317166349 957316311 /nfs/dbraw/zinc/31/63/11/957316311.db2.gz XRGZOMHBOGZZKY-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001317183727 957328481 /nfs/dbraw/zinc/32/84/81/957328481.db2.gz IPOHMPAVNQGVSV-KBPBESRZSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001332197611 957475374 /nfs/dbraw/zinc/47/53/74/957475374.db2.gz DHLUKRFWFDNUNJ-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001317678533 957636897 /nfs/dbraw/zinc/63/68/97/957636897.db2.gz FOZIJZYHAXYJFJ-ZBFHGGJFSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317855970 957697383 /nfs/dbraw/zinc/69/73/83/957697383.db2.gz ZPMARSSHYSZURB-GJZGRUSLSA-N 2 0 281.444 1.683 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001332821949 957861672 /nfs/dbraw/zinc/86/16/72/957861672.db2.gz BHGFIFBIYNOICK-AWEZNQCLSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001332859001 957891694 /nfs/dbraw/zinc/89/16/94/957891694.db2.gz VSKXOHFLSDQIAJ-CABCVRRESA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001333075162 958057099 /nfs/dbraw/zinc/05/70/99/958057099.db2.gz HCOYNUJDPSNPDU-GPANFISMSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001318848096 958279394 /nfs/dbraw/zinc/27/93/94/958279394.db2.gz CSIAHESGJIBBSI-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001319132883 958389874 /nfs/dbraw/zinc/38/98/74/958389874.db2.gz UPYFHOTWYCHQFA-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001368129577 958657114 /nfs/dbraw/zinc/65/71/14/958657114.db2.gz WDJMNGQWVNWJBF-CHWSQXEVSA-N 2 0 287.835 1.660 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001320176007 958988017 /nfs/dbraw/zinc/98/80/17/958988017.db2.gz XECIAZZZTLVXRW-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320548171 959231792 /nfs/dbraw/zinc/23/17/92/959231792.db2.gz JPANIHGVKFFCJP-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001320588372 959258270 /nfs/dbraw/zinc/25/82/70/959258270.db2.gz VGPFGEDKKZOZSN-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321848323 959985169 /nfs/dbraw/zinc/98/51/69/959985169.db2.gz FXUGFTLFQCUGKP-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321897662 960010022 /nfs/dbraw/zinc/01/00/22/960010022.db2.gz OORDQQUXHANDIP-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001437306745 962796555 /nfs/dbraw/zinc/79/65/55/962796555.db2.gz HZRJRFXOGUVZQN-ZIAGYGMSSA-N 2 0 299.846 1.661 10 30 CDEERP C=CC[C@]1(C(=O)N(C)CC(C)(C)C[NH+](C)C)CCC[NH2+]1 ZINC001341606727 963480095 /nfs/dbraw/zinc/48/00/95/963480095.db2.gz GETPMNIHZXAXHF-MRXNPFEDSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001342646279 963787352 /nfs/dbraw/zinc/78/73/52/963787352.db2.gz RLUUSSMWCFWBGN-UPJWGTAASA-N 2 0 253.390 1.113 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001353331766 967906181 /nfs/dbraw/zinc/90/61/81/967906181.db2.gz YUEJBBRNUOCQQI-INIZCTEOSA-N 2 0 292.427 1.174 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001357981629 969675882 /nfs/dbraw/zinc/67/58/82/969675882.db2.gz QTUONFSULVQPOG-CYBMUJFWSA-N 2 0 267.417 1.613 10 30 CDEERP C[C@H](CC[NH+](C)C)C(=O)N(CCC#N)CCC[NH+](C)C ZINC001361681242 970416279 /nfs/dbraw/zinc/41/62/79/970416279.db2.gz HQJOBSNJYDXBPL-CQSZACIVSA-N 2 0 282.432 1.268 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001495915975 972701562 /nfs/dbraw/zinc/70/15/62/972701562.db2.gz ZDNHGEXCAKCLQM-ZIAGYGMSSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001496299369 972879058 /nfs/dbraw/zinc/87/90/58/972879058.db2.gz IFAMNADUNWFRDO-OAHLLOKOSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001496371181 972900415 /nfs/dbraw/zinc/90/04/15/972900415.db2.gz YVDXHQNFUFBTNL-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001496836769 973115804 /nfs/dbraw/zinc/11/58/04/973115804.db2.gz VTXGWMAKWHUUHW-UHFFFAOYSA-N 2 0 253.390 1.049 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001569683988 1169965724 /nfs/dbraw/zinc/96/57/24/1169965724.db2.gz VQACYJQXZDBDRG-NVXWUHKLSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498282606 973806154 /nfs/dbraw/zinc/80/61/54/973806154.db2.gz KJCJAVNBLKUNBA-DZGCQCFKSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001499858485 974317246 /nfs/dbraw/zinc/31/72/46/974317246.db2.gz WQTRKCDXPBJSFF-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001501083406 974530133 /nfs/dbraw/zinc/53/01/33/974530133.db2.gz IAHHCIUNYJTZNJ-HUUCEWRRSA-N 2 0 291.439 1.485 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001502017715 974674880 /nfs/dbraw/zinc/67/48/80/974674880.db2.gz SNQPEYJKMMKOEL-GFCCVEGCSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001505445498 974881980 /nfs/dbraw/zinc/88/19/80/974881980.db2.gz WTSLMGAISQNDEY-LSDHHAIUSA-N 2 0 279.428 1.129 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001377833593 975151679 /nfs/dbraw/zinc/15/16/79/975151679.db2.gz YBFHWUVLJWKNQJ-NWDGAFQWSA-N 2 0 287.835 1.706 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001506679620 975201870 /nfs/dbraw/zinc/20/18/70/975201870.db2.gz PLGIZLCXDYQMCH-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)CC[NH+](C)C)C(C)C ZINC001506990287 975286377 /nfs/dbraw/zinc/28/63/77/975286377.db2.gz SNJMYDLNERYPPY-CQSZACIVSA-N 2 0 267.417 1.082 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001403378837 976922062 /nfs/dbraw/zinc/92/20/62/976922062.db2.gz WCTKFSNQTGSBTK-JHJVBQTASA-N 2 0 287.835 1.564 10 30 CDEERP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001674157021 1173920705 /nfs/dbraw/zinc/92/07/05/1173920705.db2.gz YRIFCVOCMFWSAN-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001674612306 1173968783 /nfs/dbraw/zinc/96/87/83/1173968783.db2.gz RKZFJHAWHGMPAS-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001676817445 1174276488 /nfs/dbraw/zinc/27/64/88/1174276488.db2.gz YHPJZTKPYATLRX-ZBFHGGJFSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001677363996 1174354680 /nfs/dbraw/zinc/35/46/80/1174354680.db2.gz NUHBOZROEXHJCG-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001570445570 1170159353 /nfs/dbraw/zinc/15/93/53/1170159353.db2.gz NPXFQTYWESHIGC-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001656097933 1171764193 /nfs/dbraw/zinc/76/41/93/1171764193.db2.gz OFRCBFMSBCUCQU-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP C[NH+]1CCC(CCNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594436196 342899269 /nfs/dbraw/zinc/89/92/69/342899269.db2.gz BRYWWGXPWXOCPK-CQSZACIVSA-N 2 0 280.416 1.246 10 30 CDEERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594441924 342907806 /nfs/dbraw/zinc/90/78/06/342907806.db2.gz YPZRJKXVYAPPTH-HNNXBMFYSA-N 2 0 294.443 1.729 10 30 CDEERP CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1CC[NH2+]CC1 ZINC000594445922 342908823 /nfs/dbraw/zinc/90/88/23/342908823.db2.gz NQCIAOXCBHCYIV-AWEZNQCLSA-N 2 0 280.416 1.388 10 30 CDEERP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594460107 342912106 /nfs/dbraw/zinc/91/21/06/342912106.db2.gz OBAHGKZSXDNNAD-AWEZNQCLSA-N 2 0 294.443 1.730 10 30 CDEERP C=CCCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000091593937 342405915 /nfs/dbraw/zinc/40/59/15/342405915.db2.gz MSJWHFHHKBUZPZ-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP CO[C@@H]1CN(Cc2ccc(C)c(C#N)c2)[C@](C)(C[NH3+])C1 ZINC000600885091 348287097 /nfs/dbraw/zinc/28/70/97/348287097.db2.gz KVJXRBQPJMLPNQ-HOTGVXAUSA-N 2 0 273.380 1.805 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCC[NH2+]1 ZINC000634765510 358498558 /nfs/dbraw/zinc/49/85/58/358498558.db2.gz VAXXRDWUCCDWPJ-CJNGLKHVSA-N 2 0 279.428 1.579 10 30 CDEERP CCCCN(C)C(NC[C@H]1CCC[N@@H+]1CCOC)=[NH+]C ZINC000073112786 360271988 /nfs/dbraw/zinc/27/19/88/360271988.db2.gz SWTSUGOXDYQMSH-CQSZACIVSA-N 2 0 284.448 1.405 10 30 CDEERP N#Cc1csc(CNC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000385992598 366904999 /nfs/dbraw/zinc/90/49/99/366904999.db2.gz BCXCYRTXENPMFJ-SNVBAGLBSA-N 2 0 262.382 1.589 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001661136173 1172341577 /nfs/dbraw/zinc/34/15/77/1172341577.db2.gz FSHZDELMNYNQGQ-KGLIPLIRSA-N 2 0 267.417 1.243 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001661686422 1172427189 /nfs/dbraw/zinc/42/71/89/1172427189.db2.gz NLFBGHOZGNOFQU-OKILXGFUSA-N 2 0 265.401 1.285 10 30 CDEERP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1C#N ZINC000414945245 374221379 /nfs/dbraw/zinc/22/13/79/374221379.db2.gz RIANNNJXCMDOBT-FZMZJTMJSA-N 2 0 259.353 1.654 10 30 CDEERP N#Cc1ccc(OCC[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422995019 374366488 /nfs/dbraw/zinc/36/64/88/374366488.db2.gz WUXINSIJNNRSOY-ZFWWWQNUSA-N 2 0 259.353 1.654 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001662719001 1172585825 /nfs/dbraw/zinc/58/58/25/1172585825.db2.gz ZFIKFYGJMUISRG-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001662791318 1172596525 /nfs/dbraw/zinc/59/65/25/1172596525.db2.gz OTIYZZPLVTZRHO-HZPDHXFCSA-N 2 0 293.455 1.759 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H](CC[NH+](C)C)OCC)CCC[NH2+]1 ZINC000662748604 413424657 /nfs/dbraw/zinc/42/46/57/413424657.db2.gz CGMVGTOPWMYAAH-GOEBONIOSA-N 2 0 297.443 1.158 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)CCC[NH2+]1 ZINC000662748542 413428764 /nfs/dbraw/zinc/42/87/64/413428764.db2.gz AVFTZSCGUMMSBQ-GDBMZVCRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[C@@]1(C(=O)NCCC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662831004 413564702 /nfs/dbraw/zinc/56/47/02/413564702.db2.gz OPOJNNDVIVFIKG-HNNXBMFYSA-N 2 0 265.401 1.191 10 30 CDEERP CCN[C@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190780 176067922 /nfs/dbraw/zinc/06/79/22/176067922.db2.gz URKCNYGKRIEZAJ-HOTGVXAUSA-N 2 0 280.460 1.932 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001667008435 1173220959 /nfs/dbraw/zinc/22/09/59/1173220959.db2.gz UIICDDIQDJWYDL-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001667439633 1173267624 /nfs/dbraw/zinc/26/76/24/1173267624.db2.gz DEVTZRUCBANLIM-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001667692814 1173308622 /nfs/dbraw/zinc/30/86/22/1173308622.db2.gz CZMMUVJEMCJAPK-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C#CCC[N@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001671693789 1173703567 /nfs/dbraw/zinc/70/35/67/1173703567.db2.gz NMNSVJNQZHHTJR-KRWDZBQOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001673898391 1173895099 /nfs/dbraw/zinc/89/50/99/1173895099.db2.gz POVTUOCQZJAONB-KBPBESRZSA-N 2 0 279.428 1.341 10 30 CDEERP CC[NH+]=C(NC1CCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262753237 330029185 /nfs/dbraw/zinc/02/91/85/330029185.db2.gz AKEAQRSEFMIQFQ-AWEZNQCLSA-N 2 0 262.401 1.451 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC12CC2 ZINC000263090482 330043086 /nfs/dbraw/zinc/04/30/86/330043086.db2.gz ISMJAHUSKFYPPM-VXGBXAGGSA-N 2 0 250.390 1.175 10 30 CDEERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528399511 330255910 /nfs/dbraw/zinc/25/59/10/330255910.db2.gz YZKQZBXGFNYYKO-HOTGVXAUSA-N 2 0 291.439 1.705 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001700772461 1177125184 /nfs/dbraw/zinc/12/51/84/1177125184.db2.gz BHCUQNVFKJYXTA-CQSZACIVSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001270913495 1160229141 /nfs/dbraw/zinc/22/91/41/1160229141.db2.gz JXJWMNDNFSOLDF-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001482605690 1160543227 /nfs/dbraw/zinc/54/32/27/1160543227.db2.gz FEIWSOKIUSOFLW-CYBMUJFWSA-N 2 0 255.406 1.293 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001725751082 1182121521 /nfs/dbraw/zinc/12/15/21/1182121521.db2.gz VJSNQQQGNPHNJL-ZDUSSCGKSA-N 2 0 269.433 1.635 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001733899535 1183563274 /nfs/dbraw/zinc/56/32/74/1183563274.db2.gz JILPIKVBQUTOFX-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001734326516 1183733423 /nfs/dbraw/zinc/73/34/23/1183733423.db2.gz GVEYSYDOLFAUSX-MELADBBJSA-N 2 0 267.417 1.339 10 30 CDEERP CC[NH+]1CCN(Cc2ccccc2C#CC[NH3+])CC1 ZINC000049608708 521688789 /nfs/dbraw/zinc/68/87/89/521688789.db2.gz JULRAQIYVUZJDA-UHFFFAOYSA-N 2 0 257.381 1.134 10 30 CDEERP C[N@H+](Cc1ccc(C#CC[NH3+])cc1F)C1CCOCC1 ZINC000049609341 523204996 /nfs/dbraw/zinc/20/49/96/523204996.db2.gz ZQVXJVZSDNWLRP-UHFFFAOYSA-N 2 0 276.355 1.747 10 30 CDEERP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1)C[C@H]1CCCCO1 ZINC000049609524 523205145 /nfs/dbraw/zinc/20/51/45/523205145.db2.gz KTXHPPNLBQKYFI-QGZVFWFLSA-N 2 0 272.392 1.998 10 30 CDEERP C[N@H+](Cc1cccc(C#CC[NH3+])c1)[C@@H]1CCSC1 ZINC000049609007 523291515 /nfs/dbraw/zinc/29/15/15/523291515.db2.gz ABZGIITWFURIPJ-OAHLLOKOSA-N 2 0 260.406 1.934 10 30 CDEERP COCC[N@H+](Cc1ccc(F)cc1C#CC[NH3+])C1CC1 ZINC000049609708 523747601 /nfs/dbraw/zinc/74/76/01/523747601.db2.gz BURMNDKVFCUATI-UHFFFAOYSA-N 2 0 276.355 1.747 10 30 CDEERP C[NH+]=C(N[C@@H]1C[C@H]1C)NC1CC[NH+](C(C)C)CC1 ZINC000114090855 526394516 /nfs/dbraw/zinc/39/45/16/526394516.db2.gz OPLNJBSHVNSNQC-DGCLKSJQSA-N 2 0 252.406 1.433 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000049608679 527148744 /nfs/dbraw/zinc/14/87/44/527148744.db2.gz YAAYPZXRRZEYLB-KRWDZBQOSA-N 2 0 272.392 1.734 10 30 CDEERP C=C(C)C[NH+]1CCC(Nc2cc(C)[nH+]c(N)n2)CC1 ZINC000729986984 574834237 /nfs/dbraw/zinc/83/42/37/574834237.db2.gz RXTVMANQMJFLHZ-UHFFFAOYSA-N 2 0 261.373 1.820 10 30 CDEERP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001689056014 1175089052 /nfs/dbraw/zinc/08/90/52/1175089052.db2.gz ORGDXWGQWSUDRJ-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP N#CCN1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925609441 617553855 /nfs/dbraw/zinc/55/38/55/617553855.db2.gz UCHDVLHQWVQAPD-SJORKVTESA-N 2 0 290.455 1.732 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000900520257 623184317 /nfs/dbraw/zinc/18/43/17/623184317.db2.gz QBDUNQHHVMOYTR-CQSZACIVSA-N 2 0 265.401 1.191 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000900695928 623354669 /nfs/dbraw/zinc/35/46/69/623354669.db2.gz TYVACOQJTOXWSC-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000900693220 623379687 /nfs/dbraw/zinc/37/96/87/623379687.db2.gz PGCLIDICUKCHLP-ZDUSSCGKSA-N 2 0 255.406 1.197 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000900994100 623810502 /nfs/dbraw/zinc/81/05/02/623810502.db2.gz FZQNWKAKIUEFBZ-CHWSQXEVSA-N 2 0 265.401 1.236 10 30 CDEERP C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)C1=O ZINC000903810718 626100581 /nfs/dbraw/zinc/10/05/81/626100581.db2.gz GAVYTSXMVKQYIT-CABCVRRESA-N 2 0 291.439 1.757 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913274371 630426938 /nfs/dbraw/zinc/42/69/38/630426938.db2.gz MNFRXWNDIMILIK-HOTGVXAUSA-N 2 0 279.428 1.295 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1CC ZINC001670586951 1158654088 /nfs/dbraw/zinc/65/40/88/1158654088.db2.gz CTDDSFFMZIHSAG-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001266626668 1158704922 /nfs/dbraw/zinc/70/49/22/1158704922.db2.gz SKAFTWFMDHJGGQ-KLHDSHLOSA-N 2 0 289.423 1.263 10 30 CDEERP C=CCC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001691082975 1158898433 /nfs/dbraw/zinc/89/84/33/1158898433.db2.gz PJDAZFAGVMJZJA-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001691146025 1158932518 /nfs/dbraw/zinc/93/25/18/1158932518.db2.gz LMPZRBPENLBSMO-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CCN1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266362156 1158510806 /nfs/dbraw/zinc/51/08/06/1158510806.db2.gz YSGGHSZQIHBRQL-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001671342884 1158640052 /nfs/dbraw/zinc/64/00/52/1158640052.db2.gz XNIPEPFBSNFGOE-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH+]1CCC(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001270137747 1160094047 /nfs/dbraw/zinc/09/40/47/1160094047.db2.gz GLPZTVFNYIMCOF-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000876745708 1165907636 /nfs/dbraw/zinc/90/76/36/1165907636.db2.gz KCTAQDOBTGQTCW-CQSZACIVSA-N 2 0 299.846 1.933 10 30 CDEERP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001566720007 1168398832 /nfs/dbraw/zinc/39/88/32/1168398832.db2.gz QTCCEUQAXPYXIK-HOTGVXAUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001566802034 1168427090 /nfs/dbraw/zinc/42/70/90/1168427090.db2.gz IOIOCUIZSQUYDK-BPUTZDHNSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001567177766 1168607527 /nfs/dbraw/zinc/60/75/27/1168607527.db2.gz WUGMQCCLOQWLRQ-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001569329082 1169768423 /nfs/dbraw/zinc/76/84/23/1169768423.db2.gz FSLDUAQIBGGFNW-CVEARBPZSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001672978477 1173814845 /nfs/dbraw/zinc/81/48/45/1173814845.db2.gz GYGKLOVOZOSKEA-SHTZXODSSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001673898871 1173894831 /nfs/dbraw/zinc/89/48/31/1173894831.db2.gz XWUOUDJPYCHXBJ-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001690501538 1175482730 /nfs/dbraw/zinc/48/27/30/1175482730.db2.gz MMUCTHAMQQMKIH-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001690632271 1175530213 /nfs/dbraw/zinc/53/02/13/1175530213.db2.gz UWSICSPIBPAORG-ZDUSSCGKSA-N 2 0 273.380 1.089 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001690787380 1175572481 /nfs/dbraw/zinc/57/24/81/1175572481.db2.gz HUPMPJCWVNJJMR-CABCVRRESA-N 2 0 279.428 1.367 10 30 CDEERP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001690811521 1175578144 /nfs/dbraw/zinc/57/81/44/1175578144.db2.gz TXCMIJZRVLGVJO-HUUCEWRRSA-N 2 0 297.418 1.222 10 30 CDEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)CC ZINC001692092401 1175676534 /nfs/dbraw/zinc/67/65/34/1175676534.db2.gz OSGGVXRXYQZADC-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001698719100 1175903157 /nfs/dbraw/zinc/90/31/57/1175903157.db2.gz FICHDQPMKCHCOL-INIZCTEOSA-N 2 0 287.407 1.530 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001698902455 1175981627 /nfs/dbraw/zinc/98/16/27/1175981627.db2.gz UHRZJGHGMPAFEJ-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001698951689 1175994539 /nfs/dbraw/zinc/99/45/39/1175994539.db2.gz GHMHIFZUYJEJFW-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001699018057 1176042368 /nfs/dbraw/zinc/04/23/68/1176042368.db2.gz VVYIHPLGHCDKEP-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699375627 1176332602 /nfs/dbraw/zinc/33/26/02/1176332602.db2.gz GEYFXWOTTSOARE-RDBSUJKOSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001699404628 1176370057 /nfs/dbraw/zinc/37/00/57/1176370057.db2.gz HKLBTHPHVGGVTH-NSHDSACASA-N 2 0 279.409 1.151 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001699664581 1176558706 /nfs/dbraw/zinc/55/87/06/1176558706.db2.gz MEXSXPWUZHBSCT-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001699763139 1176612467 /nfs/dbraw/zinc/61/24/67/1176612467.db2.gz VZDHFPUSQCWLHG-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001700404713 1176909394 /nfs/dbraw/zinc/90/93/94/1176909394.db2.gz MBILCIHVULHHRV-UONOGXRCSA-N 2 0 277.412 1.121 10 30 CDEERP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001700477331 1176965039 /nfs/dbraw/zinc/96/50/39/1176965039.db2.gz QNUZWOQGTIRMQL-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001707090426 1177949150 /nfs/dbraw/zinc/94/91/50/1177949150.db2.gz HZTWRQPBRIWGGK-JOCQHMNTSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001707092844 1177949872 /nfs/dbraw/zinc/94/98/72/1177949872.db2.gz ZEWWXLSPBPCULZ-SHTZXODSSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)CC[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001712982123 1178285565 /nfs/dbraw/zinc/28/55/65/1178285565.db2.gz FWTHCONEPMACMH-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001713221903 1178441407 /nfs/dbraw/zinc/44/14/07/1178441407.db2.gz SXZJKUVDVSLWHS-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001713318261 1178495116 /nfs/dbraw/zinc/49/51/16/1178495116.db2.gz FXLQVFQPDVMTFD-CQSZACIVSA-N 2 0 297.443 1.015 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001713347441 1178513285 /nfs/dbraw/zinc/51/32/85/1178513285.db2.gz ZJONHMJWKJBXLK-HNNXBMFYSA-N 2 0 289.423 1.076 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001713489414 1178603377 /nfs/dbraw/zinc/60/33/77/1178603377.db2.gz UIZIEJKQLRWCHM-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713750581 1178737494 /nfs/dbraw/zinc/73/74/94/1178737494.db2.gz BNJLLAQWHZOBQK-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001714019692 1178929804 /nfs/dbraw/zinc/92/98/04/1178929804.db2.gz ASCDBEMUGZDRQU-IYBDPMFKSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001714116075 1178980684 /nfs/dbraw/zinc/98/06/84/1178980684.db2.gz XFWWPNQSBHSOKN-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CC=C)CC1 ZINC001714125635 1178983739 /nfs/dbraw/zinc/98/37/39/1178983739.db2.gz ZMRTXWQIAUNASX-OAHLLOKOSA-N 2 0 277.412 1.002 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714390080 1179120030 /nfs/dbraw/zinc/12/00/30/1179120030.db2.gz BLBGOHFJUOUVCE-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001714982188 1179490218 /nfs/dbraw/zinc/49/02/18/1179490218.db2.gz ORHOCEOXUVLRHA-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001715007189 1179504086 /nfs/dbraw/zinc/50/40/86/1179504086.db2.gz AXJCIEHNUMMKPT-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001715008026 1179505636 /nfs/dbraw/zinc/50/56/36/1179505636.db2.gz DRPFVAAUBIRVNP-GOEBONIOSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001715062294 1179536258 /nfs/dbraw/zinc/53/62/58/1179536258.db2.gz GFZZVCLWQVSZGT-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001715346258 1179636178 /nfs/dbraw/zinc/63/61/78/1179636178.db2.gz NELMTMOBMXBWBP-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001715426069 1179664746 /nfs/dbraw/zinc/66/47/46/1179664746.db2.gz LWOGCMMHXLYGFW-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001715572860 1179722258 /nfs/dbraw/zinc/72/22/58/1179722258.db2.gz VCLOXSXRPRQTLD-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001715768422 1179797925 /nfs/dbraw/zinc/79/79/25/1179797925.db2.gz WDBVLGDQCSJIPO-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001715883901 1179896988 /nfs/dbraw/zinc/89/69/88/1179896988.db2.gz FCQYXBWRZMDDLD-SNAWJCMRSA-N 2 0 293.455 1.947 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001716350240 1180163686 /nfs/dbraw/zinc/16/36/86/1180163686.db2.gz DDKUZZBHCRKLOM-LQYUOIDQSA-N 2 0 279.428 1.699 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001716796303 1180418932 /nfs/dbraw/zinc/41/89/32/1180418932.db2.gz VVCYFVOFMQBXBF-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001717293610 1180608097 /nfs/dbraw/zinc/60/80/97/1180608097.db2.gz OWYRZGGCPRPGDR-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@@H](CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001717516703 1180719390 /nfs/dbraw/zinc/71/93/90/1180719390.db2.gz OCBVJWFCXOTONO-CVEARBPZSA-N 2 0 295.471 1.977 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001717673170 1180786703 /nfs/dbraw/zinc/78/67/03/1180786703.db2.gz RTROVAZPMPBWKU-ZIAGYGMSSA-N 2 0 267.417 1.224 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717751352 1180829084 /nfs/dbraw/zinc/82/90/84/1180829084.db2.gz UODXZLWDFQRMOT-ZIAGYGMSSA-N 2 0 267.417 1.032 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCC1 ZINC001724799919 1181758014 /nfs/dbraw/zinc/75/80/14/1181758014.db2.gz JNQMARSQIWKFKH-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001725317754 1181960872 /nfs/dbraw/zinc/96/08/72/1181960872.db2.gz MILZSFFUFPQJLK-QKDCVEJESA-N 2 0 279.428 1.197 10 30 CDEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[N@@H+](C)CC ZINC001725472027 1182013314 /nfs/dbraw/zinc/01/33/14/1182013314.db2.gz WFEMDZKPNAFGMZ-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001725475922 1182014108 /nfs/dbraw/zinc/01/41/08/1182014108.db2.gz PDRXBFDWCARBPW-JKSUJKDBSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001725584940 1182062233 /nfs/dbraw/zinc/06/22/33/1182062233.db2.gz DLKHSXJWCGLSJW-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001725684953 1182097402 /nfs/dbraw/zinc/09/74/02/1182097402.db2.gz ZAIGGWIWSYHLET-KGLIPLIRSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001731271757 1182288117 /nfs/dbraw/zinc/28/81/17/1182288117.db2.gz UFFRFVXTMIQWRV-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001731608313 1182476683 /nfs/dbraw/zinc/47/66/83/1182476683.db2.gz KKXCEAAFXJHFDP-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001731615907 1182480840 /nfs/dbraw/zinc/48/08/40/1182480840.db2.gz DDUVBRKCTYYDTK-CZUORRHYSA-N 2 0 297.418 1.317 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001731629459 1182489467 /nfs/dbraw/zinc/48/94/67/1182489467.db2.gz GZPSSSBSBZSYHP-CYBMUJFWSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001731857426 1182631840 /nfs/dbraw/zinc/63/18/40/1182631840.db2.gz LRAODVKCXGVOOJ-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001731960557 1182700750 /nfs/dbraw/zinc/70/07/50/1182700750.db2.gz DPGSFCXEQIKXKW-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001732174181 1182833218 /nfs/dbraw/zinc/83/32/18/1182833218.db2.gz VORSZYYERYYDGW-CABCVRRESA-N 2 0 279.428 1.273 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732221945 1182866902 /nfs/dbraw/zinc/86/69/02/1182866902.db2.gz ILLGOZKQRJXJNB-HZPDHXFCSA-N 2 0 293.455 1.759 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001732501698 1182990397 /nfs/dbraw/zinc/99/03/97/1182990397.db2.gz VBDJNVFUYZWOPV-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001732547291 1183003551 /nfs/dbraw/zinc/00/35/51/1183003551.db2.gz MLRXPPLSPQCLRP-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001732570208 1183014375 /nfs/dbraw/zinc/01/43/75/1183014375.db2.gz JXSMLXUGOLFUPY-LSDHHAIUSA-N 2 0 281.444 1.635 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001732792248 1183126662 /nfs/dbraw/zinc/12/66/62/1183126662.db2.gz PAAWOTOWOJSTSS-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001733248719 1183369083 /nfs/dbraw/zinc/36/90/83/1183369083.db2.gz CDOFOFZYMOHJKZ-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733533316 1183458646 /nfs/dbraw/zinc/45/86/46/1183458646.db2.gz KBQYKUHVHJDQKI-HZPDHXFCSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001733551088 1183463891 /nfs/dbraw/zinc/46/38/91/1183463891.db2.gz GODVHLLOWQFSPM-HOTGVXAUSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001733675410 1183494212 /nfs/dbraw/zinc/49/42/12/1183494212.db2.gz BEANLEBGAYNVAC-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CCC1 ZINC001733726166 1183510288 /nfs/dbraw/zinc/51/02/88/1183510288.db2.gz KXACDTYKZCTWCW-UHFFFAOYSA-N 2 0 267.417 1.533 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001733937142 1183575367 /nfs/dbraw/zinc/57/53/67/1183575367.db2.gz GZFTWNSWDVUITN-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001734045385 1183632546 /nfs/dbraw/zinc/63/25/46/1183632546.db2.gz SKVVYEJVOOXTRF-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001734060516 1183642905 /nfs/dbraw/zinc/64/29/05/1183642905.db2.gz VRGTVIIQUMASLA-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001734254754 1183705524 /nfs/dbraw/zinc/70/55/24/1183705524.db2.gz MWXGKFMVQLPIOQ-OAHLLOKOSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001734358557 1183745664 /nfs/dbraw/zinc/74/56/64/1183745664.db2.gz ZGKIRNRFWPOYIX-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001671089979 1164416821 /nfs/dbraw/zinc/41/68/21/1164416821.db2.gz FSOCNSHWQIMETB-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000876909770 755741067 /nfs/dbraw/zinc/74/10/67/755741067.db2.gz HKDNYQZTZLFKQH-ZDUSSCGKSA-N 2 0 285.819 1.447 10 30 CDEERP C[NH+]=C(NCC1CCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000262017219 753962563 /nfs/dbraw/zinc/96/25/63/753962563.db2.gz XZNBEWMJRBORGM-TZMCWYRMSA-N 2 0 266.433 1.680 10 30 CDEERP C=C(C)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875638030 754373272 /nfs/dbraw/zinc/37/32/72/754373272.db2.gz NMSKYFNHEJKYKT-HUUCEWRRSA-N 2 0 296.459 1.333 10 30 CDEERP C[C@H](C#N)OCCN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000706256586 755332429 /nfs/dbraw/zinc/33/24/29/755332429.db2.gz QDRRRJWWPUEWGA-MCIONIFRSA-N 2 0 251.374 1.189 10 30 CDEERP COc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1C#N ZINC000848562046 755344076 /nfs/dbraw/zinc/34/40/76/755344076.db2.gz GEISGUCYDROEGU-OTVXOJSOSA-N 2 0 273.380 1.997 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000876879333 755525817 /nfs/dbraw/zinc/52/58/17/755525817.db2.gz QHKVUVXEKROVRX-QWRGUYRKSA-N 2 0 259.781 1.009 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000876787847 755703065 /nfs/dbraw/zinc/70/30/65/755703065.db2.gz WUVRMRBFOZPCOR-AGIUHOORSA-N 2 0 285.819 1.447 10 30 CDEERP CC1(C)[C@H]([NH2+]C2CCN(CC#N)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925607501 756674813 /nfs/dbraw/zinc/67/48/13/756674813.db2.gz BZLWSFXLOSNYSE-QLFBSQMISA-N 2 0 276.428 1.341 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000876731336 756684822 /nfs/dbraw/zinc/68/48/22/756684822.db2.gz IMZRRCDAMQAJTJ-WCQYABFASA-N 2 0 287.835 1.695 10 30 CDEERP C[NH+]=C(NC[C@H](C)SC)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261967279 756838567 /nfs/dbraw/zinc/83/85/67/756838567.db2.gz LTSFUPWZICVTTJ-FRRDWIJNSA-N 2 0 286.489 1.632 10 30 CDEERP CC[NH+]=C(NCC(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261933715 757553339 /nfs/dbraw/zinc/55/33/39/757553339.db2.gz BXJDNTOXRUZFON-ZIAGYGMSSA-N 2 0 268.449 1.926 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877354408 757852635 /nfs/dbraw/zinc/85/26/35/757852635.db2.gz GWLOYMFSSZCZBM-CIUDSAMLSA-N 2 0 299.724 1.052 10 30 CDEERP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000104192508 757995491 /nfs/dbraw/zinc/99/54/91/757995491.db2.gz ONLUVRNSNFXROU-OAHLLOKOSA-N 2 0 290.411 1.832 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001570653068 1167581357 /nfs/dbraw/zinc/58/13/57/1167581357.db2.gz MQWBGDNPIMBMLW-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001565904288 1168199320 /nfs/dbraw/zinc/19/93/20/1168199320.db2.gz ACOPAAUPWXEYPP-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001566629187 1168362830 /nfs/dbraw/zinc/36/28/30/1168362830.db2.gz UOVOTBLXYZMLJI-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001566703873 1168392633 /nfs/dbraw/zinc/39/26/33/1168392633.db2.gz DAVOQDRNCVIOSU-KBPBESRZSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566871407 1168453044 /nfs/dbraw/zinc/45/30/44/1168453044.db2.gz BRQFRKNOVBIOTR-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001566897055 1168460022 /nfs/dbraw/zinc/46/00/22/1168460022.db2.gz PTGGMWJPOXFAEW-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566906095 1168461195 /nfs/dbraw/zinc/46/11/95/1168461195.db2.gz VUCKIMNWNWZABU-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001567250753 1168639590 /nfs/dbraw/zinc/63/95/90/1168639590.db2.gz XGJGPFSIJCHUQA-OWCLPIDISA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001266426198 894808924 /nfs/dbraw/zinc/80/89/24/894808924.db2.gz HQHLCKZLHPBLSS-CWRNSKLLSA-N 2 0 293.455 1.777 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001266769455 896010635 /nfs/dbraw/zinc/01/06/35/896010635.db2.gz AFRHYUNVSPQQPR-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001266804510 896078508 /nfs/dbraw/zinc/07/85/08/896078508.db2.gz JDBZUNUKJWAFPD-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCOCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001266965511 896460189 /nfs/dbraw/zinc/46/01/89/896460189.db2.gz VIPKDHRJLQZXIF-KKUMJFAQSA-N 2 0 297.443 1.014 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267064210 896668216 /nfs/dbraw/zinc/66/82/16/896668216.db2.gz DVQCXRKPBRMDPH-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001480923156 897079124 /nfs/dbraw/zinc/07/91/24/897079124.db2.gz MVMXLDJFPKLODW-UONOGXRCSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267296365 897498524 /nfs/dbraw/zinc/49/85/24/897498524.db2.gz MCOOTPVXDRIIDJ-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267305746 897542699 /nfs/dbraw/zinc/54/26/99/897542699.db2.gz CGCHUSXOAWGCBK-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001267337631 897629691 /nfs/dbraw/zinc/62/96/91/897629691.db2.gz CPIGWAQKJBXMLV-KBPBESRZSA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001272616723 914182296 /nfs/dbraw/zinc/18/22/96/914182296.db2.gz OHHBOQMICVCNGE-CQSZACIVSA-N 2 0 277.412 1.096 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001267456121 897930853 /nfs/dbraw/zinc/93/08/53/897930853.db2.gz LZXHBETXVJYUBR-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001267558299 898356181 /nfs/dbraw/zinc/35/61/81/898356181.db2.gz WDCSZYVKCWOSLW-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001481153887 898987561 /nfs/dbraw/zinc/98/75/61/898987561.db2.gz FKIHRBIYHMLLOW-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001267830700 899833683 /nfs/dbraw/zinc/83/36/83/899833683.db2.gz GHVNYMDCDTUPHM-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268002665 900247681 /nfs/dbraw/zinc/24/76/81/900247681.db2.gz BZVOIVHVWUEMJO-CJNGLKHVSA-N 2 0 297.418 1.174 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001342739299 901179222 /nfs/dbraw/zinc/17/92/22/901179222.db2.gz UCJYPZFQLCURSA-DZGCQCFKSA-N 2 0 265.401 1.415 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001268163613 901459361 /nfs/dbraw/zinc/45/93/61/901459361.db2.gz YYSAMNVVVWMNJI-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001268176661 901530040 /nfs/dbraw/zinc/53/00/40/901530040.db2.gz DIXHNQYCCRMXPH-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@@H+](C)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001567752434 1168952818 /nfs/dbraw/zinc/95/28/18/1168952818.db2.gz SHAOZPFFBYKAIS-INIZCTEOSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001268286401 901748688 /nfs/dbraw/zinc/74/86/88/901748688.db2.gz KFPNXMSZRIGYDV-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CCC ZINC001481681439 901783475 /nfs/dbraw/zinc/78/34/75/901783475.db2.gz JXRDVVLDQDMDPB-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001268746557 903073034 /nfs/dbraw/zinc/07/30/34/903073034.db2.gz LOHRRWJVDBTSPN-CZUORRHYSA-N 2 0 299.434 1.821 10 30 CDEERP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001269558167 903929876 /nfs/dbraw/zinc/92/98/76/903929876.db2.gz WZAURMSNMJWJCM-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001482290740 904662859 /nfs/dbraw/zinc/66/28/59/904662859.db2.gz AMCMJMPRUWPWAV-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482303912 904833378 /nfs/dbraw/zinc/83/33/78/904833378.db2.gz MIROYAYJJROAFH-CYBMUJFWSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001270829849 905111817 /nfs/dbraw/zinc/11/18/17/905111817.db2.gz NKRPSMKEVMHSAT-RDJZCZTQSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001482457141 905655720 /nfs/dbraw/zinc/65/57/20/905655720.db2.gz WVTUPPVLPQJZDP-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001271550152 906518565 /nfs/dbraw/zinc/51/85/65/906518565.db2.gz NEDIUQPIUNECDB-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001482534430 906894824 /nfs/dbraw/zinc/89/48/24/906894824.db2.gz RXXMEBYGUFXXGS-HNNXBMFYSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCF)C(C)C)CC1 ZINC001482572865 907299761 /nfs/dbraw/zinc/29/97/61/907299761.db2.gz QVVRQMDSWVKRPD-HNNXBMFYSA-N 2 0 297.418 1.032 10 30 CDEERP CC#CC[N@H+](C)CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001482607447 907877895 /nfs/dbraw/zinc/87/78/95/907877895.db2.gz DXKSXXHMMNCXRL-UHFFFAOYSA-N 2 0 298.390 1.670 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)C1(C[NH+](C)C)CC1 ZINC001482948008 908536692 /nfs/dbraw/zinc/53/66/92/908536692.db2.gz OVCZQJXOZPBOHH-UHFFFAOYSA-N 2 0 287.835 1.519 10 30 CDEERP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]21 ZINC001272227908 909313079 /nfs/dbraw/zinc/31/30/79/909313079.db2.gz XBEDDRCSHFIVTI-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001273010714 921486070 /nfs/dbraw/zinc/48/60/70/921486070.db2.gz QPAZUPYFWOFEDV-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001483404087 911068411 /nfs/dbraw/zinc/06/84/11/911068411.db2.gz PEHQYIIAQDDWCY-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001483502081 911201470 /nfs/dbraw/zinc/20/14/70/911201470.db2.gz AZNIAVPZGBKPHA-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001485168407 916605658 /nfs/dbraw/zinc/60/56/58/916605658.db2.gz JDCMFVWLDWTGCQ-OLZOCXBDSA-N 2 0 298.390 1.762 10 30 CDEERP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001485242431 916699230 /nfs/dbraw/zinc/69/92/30/916699230.db2.gz DLYFVLVREMFMKG-FHERZECASA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001485344128 916860692 /nfs/dbraw/zinc/86/06/92/916860692.db2.gz MQXAGADMUWQDDB-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001568369493 1169263287 /nfs/dbraw/zinc/26/32/87/1169263287.db2.gz KEALBNMBDVUPOD-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001491250550 936883332 /nfs/dbraw/zinc/88/33/32/936883332.db2.gz KCVPEUGWMSQGDR-OWCLPIDISA-N 2 0 291.439 1.321 10 30 CDEERP C=CCN1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001488662848 926653546 /nfs/dbraw/zinc/65/35/46/926653546.db2.gz MHMVEPPTPFEBJD-KGLIPLIRSA-N 2 0 265.401 1.047 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001488777557 926688620 /nfs/dbraw/zinc/68/86/20/926688620.db2.gz WRHXDCYTKBTFDB-OAGGEKHMSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001489312255 926882736 /nfs/dbraw/zinc/88/27/36/926882736.db2.gz XOKKLLDIGVSWHY-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001274368453 931494165 /nfs/dbraw/zinc/49/41/65/931494165.db2.gz LMQJAEMKBSJORE-MBVDDHJVSA-N 2 0 279.428 1.556 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001274446914 931500819 /nfs/dbraw/zinc/50/08/19/931500819.db2.gz SVMPMEIYYJWHOP-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001275571853 931888326 /nfs/dbraw/zinc/88/83/26/931888326.db2.gz RNVBQTQXKAKGOK-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275827745 932070617 /nfs/dbraw/zinc/07/06/17/932070617.db2.gz LMDRDLNWYKXXNP-OAHLLOKOSA-N 2 0 293.455 1.711 10 30 CDEERP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC001118383419 937622254 /nfs/dbraw/zinc/62/22/54/937622254.db2.gz GVQJENSTLLBAED-HZSPNIEDSA-N 2 0 280.416 1.387 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001120399328 937797893 /nfs/dbraw/zinc/79/78/93/937797893.db2.gz YSLIHPVDYLSZHX-SOUVJXGZSA-N 2 0 279.428 1.293 10 30 CDEERP C#CCN1CCC[C@H]([NH2+]CC2CC[NH+](CC)CC2)C1 ZINC001207536195 940212157 /nfs/dbraw/zinc/21/21/57/940212157.db2.gz RUXMCOTULQGPTO-INIZCTEOSA-N 2 0 263.429 1.406 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001276610747 940430212 /nfs/dbraw/zinc/43/02/12/940430212.db2.gz DEPAEFCHBNUPTC-LSDHHAIUSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001276839854 941635742 /nfs/dbraw/zinc/63/57/42/941635742.db2.gz MGPXHWXLTOZMBQ-ARFHVFGLSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC001332436801 942416831 /nfs/dbraw/zinc/41/68/31/942416831.db2.gz HXPAGGJYKRZTSA-ZIAGYGMSSA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001281687105 942609000 /nfs/dbraw/zinc/60/90/00/942609000.db2.gz UGSAARJMQUKESM-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001284180945 943099436 /nfs/dbraw/zinc/09/94/36/943099436.db2.gz UNBFENGZANWWJP-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001277725804 943420716 /nfs/dbraw/zinc/42/07/16/943420716.db2.gz BXCGAKCLYFCTNQ-LSDHHAIUSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC001263175917 943775386 /nfs/dbraw/zinc/77/53/86/943775386.db2.gz PCFDZUDVYQRCTB-YPMHNXCESA-N 2 0 253.390 1.174 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001277845898 943799282 /nfs/dbraw/zinc/79/92/82/943799282.db2.gz OMJVUVBYPGUZGN-ZBFHGGJFSA-N 2 0 291.439 1.463 10 30 CDEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001264127605 944082888 /nfs/dbraw/zinc/08/28/88/944082888.db2.gz IYPYGHGHQUCVAB-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001265215921 944281173 /nfs/dbraw/zinc/28/11/73/944281173.db2.gz DWHDHQHHQOYWIK-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001265235621 944291946 /nfs/dbraw/zinc/29/19/46/944291946.db2.gz SSTWAKGROZWCDM-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001265358792 944358540 /nfs/dbraw/zinc/35/85/40/944358540.db2.gz QLSHTNZBRTZDBY-CVEARBPZSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001265401040 944373757 /nfs/dbraw/zinc/37/37/57/944373757.db2.gz IZRNSJONFQIARC-OAHLLOKOSA-N 2 0 290.411 1.630 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265584128 944438065 /nfs/dbraw/zinc/43/80/65/944438065.db2.gz HEJDGNBYRZQRGQ-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001265658251 944460860 /nfs/dbraw/zinc/46/08/60/944460860.db2.gz VDNAWZRWFPUYFX-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001265832975 944532206 /nfs/dbraw/zinc/53/22/06/944532206.db2.gz UODQMCFKNPEUGQ-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001266120072 944687510 /nfs/dbraw/zinc/68/75/10/944687510.db2.gz SEQOFRVZNIWBDG-AWEZNQCLSA-N 2 0 267.417 1.435 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001279236763 944786079 /nfs/dbraw/zinc/78/60/79/944786079.db2.gz VPBCASFLAYFKKU-UYSNPLJNSA-N 2 0 291.439 1.463 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001279017703 948603759 /nfs/dbraw/zinc/60/37/59/948603759.db2.gz MYANOEDIAKDVDR-GJZGRUSLSA-N 2 0 288.395 1.123 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001278542536 949861690 /nfs/dbraw/zinc/86/16/90/949861690.db2.gz PJNBCFLDXKTQQD-KRWDZBQOSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001480358166 971686271 /nfs/dbraw/zinc/68/62/71/971686271.db2.gz OLSJOHCFWFUICB-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001480624304 971814836 /nfs/dbraw/zinc/81/48/36/971814836.db2.gz GFRDNWSNZBDTBA-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480660306 971827583 /nfs/dbraw/zinc/82/75/83/971827583.db2.gz XDTSNMDASDSFML-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001480768329 971871891 /nfs/dbraw/zinc/87/18/91/971871891.db2.gz GPYNUZMSKZSLJM-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC=C)CC1 ZINC001324440304 953388889 /nfs/dbraw/zinc/38/88/89/953388889.db2.gz UQKUIRYSGLQXRO-MRXNPFEDSA-N 2 0 291.439 1.439 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001290875873 954081520 /nfs/dbraw/zinc/08/15/20/954081520.db2.gz RPEVRQAQPWYSQU-INIZCTEOSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001325919188 954142513 /nfs/dbraw/zinc/14/25/13/954142513.db2.gz HMFDUXYUUPHUFI-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)Cn2ccnc2C)CC1 ZINC001327494269 954905497 /nfs/dbraw/zinc/90/54/97/954905497.db2.gz ZQLYTJDDCYXZGD-UHFFFAOYSA-N 2 0 288.395 1.186 10 30 CDEERP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001491965101 955548665 /nfs/dbraw/zinc/54/86/65/955548665.db2.gz GZDFAIQSNKDLBM-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP C=CCCC[NH2+]CC1CC(NC(=O)Cc2ncc[nH]2)C1 ZINC001328938796 955565772 /nfs/dbraw/zinc/56/57/72/955565772.db2.gz UHZRRHOOCDWSOE-UHFFFAOYSA-N 2 0 276.384 1.403 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001329110425 955690984 /nfs/dbraw/zinc/69/09/84/955690984.db2.gz OMDASVMJOCUBHU-CHWSQXEVSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001493978804 972151047 /nfs/dbraw/zinc/15/10/47/972151047.db2.gz UFEOIIJKUYMPIN-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001329763932 956103479 /nfs/dbraw/zinc/10/34/79/956103479.db2.gz BPDIECFNDVLZLB-GJZGRUSLSA-N 2 0 281.444 1.587 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001329845483 956138424 /nfs/dbraw/zinc/13/84/24/956138424.db2.gz GPHFBSFMSPRVIY-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001494078197 972172675 /nfs/dbraw/zinc/17/26/75/972172675.db2.gz GZKLBJSAIIMDDM-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317532541 956800840 /nfs/dbraw/zinc/80/08/40/956800840.db2.gz LOFQPFJIZNGQFP-JKSUJKDBSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001316992295 957188251 /nfs/dbraw/zinc/18/82/51/957188251.db2.gz YXUVIBJBCHMGBB-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001317062987 957238015 /nfs/dbraw/zinc/23/80/15/957238015.db2.gz PHYYFPVDQISPJU-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317350216 957432945 /nfs/dbraw/zinc/43/29/45/957432945.db2.gz KDCZSPDSMLRWIB-UONOGXRCSA-N 2 0 277.412 1.121 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001317574452 957572200 /nfs/dbraw/zinc/57/22/00/957572200.db2.gz XKYFVAYEYUDJQZ-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317831752 957682983 /nfs/dbraw/zinc/68/29/83/957682983.db2.gz WNFXZQVOGFIBJM-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001318169733 957953140 /nfs/dbraw/zinc/95/31/40/957953140.db2.gz SLQVCUBUFGANIK-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)CCC)C1CC1 ZINC001318726647 958246749 /nfs/dbraw/zinc/24/67/49/958246749.db2.gz AEUCLRCEIJRBLR-MRXNPFEDSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001494906788 972334882 /nfs/dbraw/zinc/33/48/82/972334882.db2.gz VBYPMALZCDNVGN-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001319476004 958585255 /nfs/dbraw/zinc/58/52/55/958585255.db2.gz MREHLGBMDZQNPM-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@H+](C)C1CCC1 ZINC001319617408 958656490 /nfs/dbraw/zinc/65/64/90/958656490.db2.gz BLHNMNNTUSXTFD-HNNXBMFYSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001320066238 958912755 /nfs/dbraw/zinc/91/27/55/958912755.db2.gz CVJRSXAAHRSVGT-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001321097843 959591767 /nfs/dbraw/zinc/59/17/67/959591767.db2.gz QTYHGSJGBKZECC-VQTKUKTRSA-N 2 0 299.846 1.875 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001321138448 959615538 /nfs/dbraw/zinc/61/55/38/959615538.db2.gz ZMQKMPWBJJBMDA-ARJAWSKDSA-N 2 0 291.439 1.843 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001321480135 959810140 /nfs/dbraw/zinc/81/01/40/959810140.db2.gz XYLCMBJOGRDOHN-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001322194317 960125787 /nfs/dbraw/zinc/12/57/87/960125787.db2.gz RBIQUUONOHBXNV-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001322192185 960125857 /nfs/dbraw/zinc/12/58/57/960125857.db2.gz FDOWGOKYUDUUMZ-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001322281771 960165448 /nfs/dbraw/zinc/16/54/48/960165448.db2.gz RECVSEQCXHRUOI-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH+](C)CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001492494585 960439091 /nfs/dbraw/zinc/43/90/91/960439091.db2.gz ZCQSKRNWDDZIQN-INIZCTEOSA-N 2 0 289.423 1.913 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001495520730 972529122 /nfs/dbraw/zinc/52/91/22/972529122.db2.gz ORTPVCMWMZVCGO-INIZCTEOSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001448443740 967113756 /nfs/dbraw/zinc/11/37/56/967113756.db2.gz CZXGMQMWGUXOGG-ZSOGYDGISA-N 2 0 297.830 1.129 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001371618033 972568186 /nfs/dbraw/zinc/56/81/86/972568186.db2.gz QXUSDNHHCHAKEZ-GXTWGEPZSA-N 2 0 299.846 1.519 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001496386759 972907085 /nfs/dbraw/zinc/90/70/85/972907085.db2.gz BMLFBLALMPIEJU-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)c1ccc2c[nH+]cn2c1C ZINC001497414227 973335199 /nfs/dbraw/zinc/33/51/99/973335199.db2.gz IKGUPBDGXGFFTK-UHFFFAOYSA-N 2 0 286.379 1.880 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001497415707 973339942 /nfs/dbraw/zinc/33/99/42/973339942.db2.gz OYZGPEHQCFYROT-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001375519839 974411376 /nfs/dbraw/zinc/41/13/76/974411376.db2.gz COWBAOQBABPYON-LBPRGKRZSA-N 2 0 285.819 1.319 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001376955305 974827992 /nfs/dbraw/zinc/82/79/92/974827992.db2.gz MDAISOKTXAGXLA-ZDUSSCGKSA-N 2 0 285.819 1.273 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505685477 974962664 /nfs/dbraw/zinc/96/26/64/974962664.db2.gz HNKMJVNDRKCKDL-UONOGXRCSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001505733263 974977006 /nfs/dbraw/zinc/97/70/06/974977006.db2.gz QSXJLDIXWQWTAN-UONOGXRCSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001505736391 974977011 /nfs/dbraw/zinc/97/70/11/974977011.db2.gz SNOVWWVALVBORE-NEPJUHHUSA-N 2 0 275.824 1.564 10 30 CDEERP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)C12CC[NH+](CC1)C2 ZINC001506556091 975179654 /nfs/dbraw/zinc/17/96/54/975179654.db2.gz JKSAOVNCQIOHDJ-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001507090156 975331901 /nfs/dbraw/zinc/33/19/01/975331901.db2.gz PHJJMQJBPNLGJI-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001507161042 975359126 /nfs/dbraw/zinc/35/91/26/975359126.db2.gz HXTWFJDLAOYNDE-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001379024826 975602707 /nfs/dbraw/zinc/60/27/07/975602707.db2.gz NGKCUIWHZPYNBN-CYBMUJFWSA-N 2 0 287.835 1.517 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001402491883 976312487 /nfs/dbraw/zinc/31/24/87/976312487.db2.gz INIZVBJLXRKLFB-IHRRRGAJSA-N 2 0 299.846 1.850 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001407110338 976560278 /nfs/dbraw/zinc/56/02/78/976560278.db2.gz ZYXQWTXSIVBRAR-STQMWFEESA-N 2 0 285.819 1.414 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001408255567 976980974 /nfs/dbraw/zinc/98/09/74/976980974.db2.gz ZKUSFVCNGIZGDG-LBPRGKRZSA-N 2 0 275.824 1.564 10 30 CDEERP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001675904680 1174163672 /nfs/dbraw/zinc/16/36/72/1174163672.db2.gz XPIGMNVWPCALBD-BFHYXJOUSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001675909447 1174164473 /nfs/dbraw/zinc/16/44/73/1174164473.db2.gz IWWIIYPDXBQEID-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001676886390 1174284607 /nfs/dbraw/zinc/28/46/07/1174284607.db2.gz JDXRWKFIHXJWBZ-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001570538704 1170184358 /nfs/dbraw/zinc/18/43/58/1170184358.db2.gz RTCYHCGIMZXNQK-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001570702722 1170241187 /nfs/dbraw/zinc/24/11/87/1170241187.db2.gz XLKYZWRACMHMDG-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001571547789 1170472815 /nfs/dbraw/zinc/47/28/15/1170472815.db2.gz GZEPXCCHMKZQLI-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001571638925 1170500609 /nfs/dbraw/zinc/50/06/09/1170500609.db2.gz BKGFSERGIBAXOB-AWEZNQCLSA-N 2 0 281.444 1.470 10 30 CDEERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccnc(C#N)c1 ZINC000611516863 346807772 /nfs/dbraw/zinc/80/77/72/346807772.db2.gz XGVMCVWMVQQHHG-UHFFFAOYSA-N 2 0 287.411 1.023 10 30 CDEERP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000651685810 398149516 /nfs/dbraw/zinc/14/95/16/398149516.db2.gz FPWDQGBXJLRDJK-ILXRZTDVSA-N 2 0 252.402 1.778 10 30 CDEERP C[N@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)C1CCCC1 ZINC000594436609 342899452 /nfs/dbraw/zinc/89/94/52/342899452.db2.gz DROBYCCFXZWSOH-CQSZACIVSA-N 2 0 280.416 1.388 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594439595 342906561 /nfs/dbraw/zinc/90/65/61/342906561.db2.gz XPCRMCKMVNNCES-HUUCEWRRSA-N 2 0 292.427 1.484 10 30 CDEERP CC(C)[NH+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)C(C)C ZINC000594446024 342908811 /nfs/dbraw/zinc/90/88/11/342908811.db2.gz OWZUPGIMEBYQCD-AWEZNQCLSA-N 2 0 282.432 1.633 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000594449022 342909261 /nfs/dbraw/zinc/90/92/61/342909261.db2.gz CBVOMYZWGYJCOJ-KGLIPLIRSA-N 2 0 286.379 1.314 10 30 CDEERP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594452687 342910347 /nfs/dbraw/zinc/91/03/47/342910347.db2.gz HQIOQMFRAMJFRS-AWEZNQCLSA-N 2 0 280.416 1.342 10 30 CDEERP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)CC[N@@H+]1C ZINC000600723790 342244997 /nfs/dbraw/zinc/24/49/97/342244997.db2.gz LZLYLDCRIPYMGM-FRRDWIJNSA-N 2 0 251.374 1.113 10 30 CDEERP C[C@H](CC[NH2+]C[C@H](O)CC1(C#N)CC1)[NH+]1CCCCC1 ZINC000600733811 342245982 /nfs/dbraw/zinc/24/59/82/342245982.db2.gz FKQLMAZBLVXOSJ-HUUCEWRRSA-N 2 0 279.428 1.895 10 30 CDEERP N#CCc1cccc2c1CC[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000600751400 342247388 /nfs/dbraw/zinc/24/73/88/342247388.db2.gz RBPMBCCFTDDKDU-INIZCTEOSA-N 2 0 297.402 1.632 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000594425036 342903998 /nfs/dbraw/zinc/90/39/98/342903998.db2.gz JHDYOBYMRXXNDG-UONOGXRCSA-N 2 0 280.416 1.421 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000067235529 347552166 /nfs/dbraw/zinc/55/21/66/347552166.db2.gz QARUHVJVLCUJHD-INIZCTEOSA-N 2 0 293.455 1.424 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC)CCF)CC1 ZINC001660632108 1172246375 /nfs/dbraw/zinc/24/63/75/1172246375.db2.gz OYFYSTPIUILJNJ-UHFFFAOYSA-N 2 0 297.418 1.129 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001661690849 1172427293 /nfs/dbraw/zinc/42/72/93/1172427293.db2.gz WJMDKVAWPAWRHJ-OWCLPIDISA-N 2 0 287.407 1.712 10 30 CDEERP C=CCCC[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001663000771 1172627239 /nfs/dbraw/zinc/62/72/39/1172627239.db2.gz ISNFEFPJUQZWIQ-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[C@@]1(C(=O)NCC(C)(C)C[NH+](C)C)CCC[NH2+]1 ZINC000662661059 413265995 /nfs/dbraw/zinc/26/59/95/413265995.db2.gz IRWVCYPJABFELF-HNNXBMFYSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[C@]1(C(=O)NCC(C)(C)[NH+](C)C)CCC[NH2+]1 ZINC000662662614 413269088 /nfs/dbraw/zinc/26/90/88/413269088.db2.gz IDXMKPZSZZAAJP-CQSZACIVSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654431231 413278316 /nfs/dbraw/zinc/27/83/16/413278316.db2.gz AXQWHPHFSMTMQN-OTVXOJSOSA-N 2 0 294.443 1.276 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](CC)C2)CCC[NH2+]1 ZINC000662681536 413302778 /nfs/dbraw/zinc/30/27/78/413302778.db2.gz HIXHWKGFTOKGCI-DZGCQCFKSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001665592792 1173016537 /nfs/dbraw/zinc/01/65/37/1173016537.db2.gz WHKWVFVYCFHQDZ-ZIAGYGMSSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[C@]1(C(=O)NC2CCC(C[NH+](C)C)CC2)CCC[NH2+]1 ZINC000662789273 413505758 /nfs/dbraw/zinc/50/57/58/413505758.db2.gz VVEZNDKKXYURSD-VMBOVVBDSA-N 2 0 293.455 1.921 10 30 CDEERP CC[NH+]1CCN(Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043688841 175095286 /nfs/dbraw/zinc/09/52/86/175095286.db2.gz ACCVUENJHFKHJK-UHFFFAOYSA-N 2 0 263.410 1.196 10 30 CDEERP COC1CC[NH+](Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043688906 175095723 /nfs/dbraw/zinc/09/57/23/175095723.db2.gz QIORWNGSENZCTA-UHFFFAOYSA-N 2 0 264.394 1.669 10 30 CDEERP [NH3+]CC#Cc1csc(C[NH+]2CCSCC2)c1 ZINC000043688855 175095960 /nfs/dbraw/zinc/09/59/60/175095960.db2.gz JJKLNGMZMNQNAR-UHFFFAOYSA-N 2 0 252.408 1.607 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)CC[NH+]1CCCCC1)C(C)C ZINC001667519612 1173278588 /nfs/dbraw/zinc/27/85/88/1173278588.db2.gz JQNSRFLYPKHZBD-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001670139324 1173657837 /nfs/dbraw/zinc/65/78/37/1173657837.db2.gz XRGXDVPVUSGOCE-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001671564863 1173690333 /nfs/dbraw/zinc/69/03/33/1173690333.db2.gz ZDGQLBZEUIKBLC-GOEBONIOSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCOc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414779644 328223778 /nfs/dbraw/zinc/22/37/78/328223778.db2.gz JUQLWSLXQRVUJC-UHFFFAOYSA-N 2 0 289.423 1.636 10 30 CDEERP C[C@H]1CN(C(=[NH2+])NC[C@H]2CCCC[N@@H+]2C2CC2)CCO1 ZINC000262440436 330013044 /nfs/dbraw/zinc/01/30/44/330013044.db2.gz HMGVJYXYXCIKIK-GXTWGEPZSA-N 2 0 280.416 1.039 10 30 CDEERP C[NH+](C)CC1CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424200487 330326556 /nfs/dbraw/zinc/32/65/56/330326556.db2.gz ZOPITWLNEUBHDW-JXQTWKCFSA-N 2 0 280.416 1.244 10 30 CDEERP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000248748165 334315728 /nfs/dbraw/zinc/31/57/28/334315728.db2.gz BMDMEKFCYJFJRT-KFWWJZLASA-N 2 0 265.401 1.505 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001481059614 1159507305 /nfs/dbraw/zinc/50/73/05/1159507305.db2.gz UCWVOSVDTHZTSG-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268364279 1159902583 /nfs/dbraw/zinc/90/25/83/1159902583.db2.gz BZBDLWKZGSKJMD-GJZGRUSLSA-N 2 0 279.428 1.367 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CCC)C1CCCC1 ZINC001484011989 1161245833 /nfs/dbraw/zinc/24/58/33/1161245833.db2.gz FVDMZQCPKWPLCI-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001671040551 1161411725 /nfs/dbraw/zinc/41/17/25/1161411725.db2.gz ZEHWUCNKXCYJJZ-MRXNPFEDSA-N 2 0 279.428 1.439 10 30 CDEERP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001714569665 1179226747 /nfs/dbraw/zinc/22/67/47/1179226747.db2.gz ANDSLDPCNKDTDW-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001716849946 1180438369 /nfs/dbraw/zinc/43/83/69/1180438369.db2.gz HWKVEXPVORPLNW-ZFWWWQNUSA-N 2 0 265.401 1.095 10 30 CDEERP CC(C)(C)[NH+]1CCN(Cc2ccc(C#CC[NH3+])cc2)CC1 ZINC000049609855 518714248 /nfs/dbraw/zinc/71/42/48/518714248.db2.gz GBSBECHUBCPHCS-UHFFFAOYSA-N 2 0 285.435 1.913 10 30 CDEERP CC[NH+]1CCN(Cc2cccc(C#CC[NH3+])c2)CC1 ZINC000049608714 521689383 /nfs/dbraw/zinc/68/93/83/521689383.db2.gz JAJLBPADNKRAGR-UHFFFAOYSA-N 2 0 257.381 1.134 10 30 CDEERP COCC1CC[NH+](Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000070081666 522936443 /nfs/dbraw/zinc/93/64/43/522936443.db2.gz FAMNENDAOLOEOE-UHFFFAOYSA-N 2 0 278.421 1.917 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001689905968 1175301265 /nfs/dbraw/zinc/30/12/65/1175301265.db2.gz QUOCZWNIGYTQOS-HOCLYGCPSA-N 2 0 291.439 1.321 10 30 CDEERP CC(C)([NH3+])CN1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000903987998 626174913 /nfs/dbraw/zinc/17/49/13/626174913.db2.gz MFTKRCBMONKKSN-ZDUSSCGKSA-N 2 0 273.384 1.567 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691184463 1158949310 /nfs/dbraw/zinc/94/93/10/1158949310.db2.gz MNDOHUJKFCCHSF-RBSFLKMASA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[N@@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001691222827 1158964932 /nfs/dbraw/zinc/96/49/32/1158964932.db2.gz JSPUTKVIMOEYMA-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691322175 1159016120 /nfs/dbraw/zinc/01/61/20/1159016120.db2.gz YYRJCGPPXDLYOF-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001691364883 1159037858 /nfs/dbraw/zinc/03/78/58/1159037858.db2.gz JNEIRDDNJXTKDV-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268063860 1159768584 /nfs/dbraw/zinc/76/85/84/1159768584.db2.gz NGXFHHHNNFBQPG-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001272344317 1161079510 /nfs/dbraw/zinc/07/95/10/1161079510.db2.gz SRBTZBRGKKRXQW-HZPDHXFCSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000877269594 1166008132 /nfs/dbraw/zinc/00/81/32/1166008132.db2.gz AOFVMELHFNYLQT-DGCLKSJQSA-N 2 0 293.798 1.621 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001567367987 1168714212 /nfs/dbraw/zinc/71/42/12/1168714212.db2.gz MMBWEDWKIOXRGU-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001567861147 1169026757 /nfs/dbraw/zinc/02/67/57/1169026757.db2.gz LCVCIFQAOFDGPE-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001568155379 1169149575 /nfs/dbraw/zinc/14/95/75/1169149575.db2.gz MNHKLPPAJOJZBG-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568532681 1169352107 /nfs/dbraw/zinc/35/21/07/1169352107.db2.gz HVASTEUTGCHBSZ-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001569381483 1169831725 /nfs/dbraw/zinc/83/17/25/1169831725.db2.gz QVHXFHVHUNPMHM-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001569854709 1170018700 /nfs/dbraw/zinc/01/87/00/1170018700.db2.gz FCKXJIAMKPYMMY-GJZGRUSLSA-N 2 0 279.428 1.034 10 30 CDEERP C#C[C@@H]([NH2+]CC1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC001657842070 1171990633 /nfs/dbraw/zinc/99/06/33/1171990633.db2.gz USLKEMDIOPVVFA-HUUCEWRRSA-N 2 0 250.386 1.489 10 30 CDEERP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001661270526 1172362018 /nfs/dbraw/zinc/36/20/18/1172362018.db2.gz BIYJOCCHDGKATL-GASCZTMLSA-N 2 0 277.412 1.027 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001662351441 1172535913 /nfs/dbraw/zinc/53/59/13/1172535913.db2.gz VYGYVAKKMOZIPP-HUUCEWRRSA-N 2 0 279.428 1.367 10 30 CDEERP C#CC[N@@H+](C)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001664894478 1172923344 /nfs/dbraw/zinc/92/33/44/1172923344.db2.gz XNKNPBHNJHJJPS-MRXNPFEDSA-N 2 0 291.439 1.132 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001668105583 1173369198 /nfs/dbraw/zinc/36/91/98/1173369198.db2.gz FIDIYIBRQQGHHN-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CC=C)CC1 ZINC001671486840 1173683906 /nfs/dbraw/zinc/68/39/06/1173683906.db2.gz FZMVZTNYKLURMO-UHFFFAOYSA-N 2 0 291.439 1.440 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001671915971 1173722491 /nfs/dbraw/zinc/72/24/91/1173722491.db2.gz CFBCYGUMPHWQRL-RDJZCZTQSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001672897564 1173807361 /nfs/dbraw/zinc/80/73/61/1173807361.db2.gz SJJQQKPHLSWJRE-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCC1 ZINC001673210124 1173835683 /nfs/dbraw/zinc/83/56/83/1173835683.db2.gz MFQBKIJMRLCIGY-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001673492180 1173865327 /nfs/dbraw/zinc/86/53/27/1173865327.db2.gz ZENNKYVOELFWNJ-IYBDPMFKSA-N 2 0 293.455 1.663 10 30 CDEERP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001675271209 1174092422 /nfs/dbraw/zinc/09/24/22/1174092422.db2.gz YPUZSWYXLBSZPO-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001675359658 1174106125 /nfs/dbraw/zinc/10/61/25/1174106125.db2.gz JOXUJLDGPAHFLS-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001689265565 1175132970 /nfs/dbraw/zinc/13/29/70/1175132970.db2.gz XRUFKMKDOHVZKB-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001690486071 1175481310 /nfs/dbraw/zinc/48/13/10/1175481310.db2.gz UFOPJMMUZNRYBH-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001690771952 1175571267 /nfs/dbraw/zinc/57/12/67/1175571267.db2.gz MGXAAQKIVWYMPM-HUUCEWRRSA-N 2 0 291.439 1.511 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001698579187 1175855420 /nfs/dbraw/zinc/85/54/20/1175855420.db2.gz XCSZQRZMKPFJRJ-INIZCTEOSA-N 2 0 291.439 1.418 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001698652887 1175888416 /nfs/dbraw/zinc/88/84/16/1175888416.db2.gz RTMYGHOAAYGVNS-KRWDZBQOSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001698712955 1175901890 /nfs/dbraw/zinc/90/18/90/1175901890.db2.gz IAEQJILJUBKLPF-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001698825573 1175951978 /nfs/dbraw/zinc/95/19/78/1175951978.db2.gz SYPFJDMMICJPHE-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001698951687 1175994283 /nfs/dbraw/zinc/99/42/83/1175994283.db2.gz GHMHIFZUYJEJFW-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001699554340 1176472100 /nfs/dbraw/zinc/47/21/00/1176472100.db2.gz ORXGAOKNZBPBEF-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001699590615 1176489154 /nfs/dbraw/zinc/48/91/54/1176489154.db2.gz TYDRXUIPXHUFSW-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001699666178 1176559567 /nfs/dbraw/zinc/55/95/67/1176559567.db2.gz PEZFDIVUTDKXEW-KBPBESRZSA-N 2 0 277.412 1.428 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001699753610 1176607756 /nfs/dbraw/zinc/60/77/56/1176607756.db2.gz SHIQIGNUBRKPED-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001699774248 1176617511 /nfs/dbraw/zinc/61/75/11/1176617511.db2.gz IZSDSKFNNFHMLI-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001699970009 1176701713 /nfs/dbraw/zinc/70/17/13/1176701713.db2.gz NTLFAOSHANUZRN-GJZGRUSLSA-N 2 0 281.444 1.587 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001700126275 1176758705 /nfs/dbraw/zinc/75/87/05/1176758705.db2.gz HWLWVSCUFSOGML-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001700779999 1177129331 /nfs/dbraw/zinc/12/93/31/1177129331.db2.gz HORBMSMNJYNRIE-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001713002820 1178293520 /nfs/dbraw/zinc/29/35/20/1178293520.db2.gz OPAZJQVOTPKCJB-ZIAGYGMSSA-N 2 0 288.395 1.335 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001713193096 1178423588 /nfs/dbraw/zinc/42/35/88/1178423588.db2.gz JUHFQBXQNKLIGS-XQQFMLRXSA-N 2 0 271.380 1.089 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001713247324 1178450766 /nfs/dbraw/zinc/45/07/66/1178450766.db2.gz XOMZXGOLDZGTKK-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713311161 1178489722 /nfs/dbraw/zinc/48/97/22/1178489722.db2.gz JYNDAMVGNCRLDB-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001714018799 1178929480 /nfs/dbraw/zinc/92/94/80/1178929480.db2.gz PECRWOIBFBRWEB-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C#CC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@H]1C ZINC001714184633 1179007314 /nfs/dbraw/zinc/00/73/14/1179007314.db2.gz BGHKCILAQYEYNE-WBVHZDCISA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001714553126 1179208708 /nfs/dbraw/zinc/20/87/08/1179208708.db2.gz KEYDJSDWJDVVOQ-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715225980 1179585450 /nfs/dbraw/zinc/58/54/50/1179585450.db2.gz DTPMTXNURVUTMB-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001715391727 1179655004 /nfs/dbraw/zinc/65/50/04/1179655004.db2.gz JCCOIHNVQLTCCF-MRXNPFEDSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001715830292 1179854088 /nfs/dbraw/zinc/85/40/88/1179854088.db2.gz YKAWUWFSPSJBDZ-LSDHHAIUSA-N 2 0 281.444 1.683 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001715830105 1179855309 /nfs/dbraw/zinc/85/53/09/1179855309.db2.gz XLJIXOSCNMIMBQ-AATRIKPKSA-N 2 0 265.401 1.309 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001716072785 1180031675 /nfs/dbraw/zinc/03/16/75/1180031675.db2.gz HHIROUIDTBDUSU-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001716255457 1180121815 /nfs/dbraw/zinc/12/18/15/1180121815.db2.gz SHDXQZNSBHBIDV-GASCZTMLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001716339718 1180160354 /nfs/dbraw/zinc/16/03/54/1180160354.db2.gz KWSMXFQFDHANNU-LQYUOIDQSA-N 2 0 293.455 1.945 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001716482949 1180245311 /nfs/dbraw/zinc/24/53/11/1180245311.db2.gz VKFYTACQJYQUIA-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001716631911 1180315899 /nfs/dbraw/zinc/31/58/99/1180315899.db2.gz QTSIMHFHFVILHD-CVEARBPZSA-N 2 0 291.439 1.224 10 30 CDEERP C=CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001717042900 1180511348 /nfs/dbraw/zinc/51/13/48/1180511348.db2.gz LQLHTJRCNXRHRW-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001717215147 1180579637 /nfs/dbraw/zinc/57/96/37/1180579637.db2.gz ZUYLBPUUKZVZQY-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001717376037 1180635317 /nfs/dbraw/zinc/63/53/17/1180635317.db2.gz IZIWHHVPTXGUCL-KGLIPLIRSA-N 2 0 265.401 1.047 10 30 CDEERP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001717604073 1180756324 /nfs/dbraw/zinc/75/63/24/1180756324.db2.gz MNABJSNLIGKRLX-QKDCVEJESA-N 2 0 279.428 1.198 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001717971334 1180953286 /nfs/dbraw/zinc/95/32/86/1180953286.db2.gz JMYHCNSYBJCIRG-KBPBESRZSA-N 2 0 279.428 1.082 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001723297259 1181533677 /nfs/dbraw/zinc/53/36/77/1181533677.db2.gz FMPUBMRAZYPZSM-HOTGVXAUSA-N 2 0 291.439 1.367 10 30 CDEERP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001724343074 1181666746 /nfs/dbraw/zinc/66/67/46/1181666746.db2.gz OTIVLYXSMYDLQG-KRWDZBQOSA-N 2 0 293.455 1.570 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724723812 1181733808 /nfs/dbraw/zinc/73/38/08/1181733808.db2.gz VGJTWTNCNJQINU-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001725072339 1181845941 /nfs/dbraw/zinc/84/59/41/1181845941.db2.gz IIMVSUKHTJFVHT-SLTAFYQDSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001725210977 1181924350 /nfs/dbraw/zinc/92/43/50/1181924350.db2.gz AFQBFQPZZZAMIF-HZPDHXFCSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001731454803 1182397242 /nfs/dbraw/zinc/39/72/42/1182397242.db2.gz DIFAHQZQAUUABW-HDJSIYSDSA-N 2 0 277.412 1.285 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001731640134 1182496740 /nfs/dbraw/zinc/49/67/40/1182496740.db2.gz LJPDRGUAEJCDDH-KGLIPLIRSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001731730573 1182537789 /nfs/dbraw/zinc/53/77/89/1182537789.db2.gz YUMMFEQOGSXREN-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001731840697 1182619833 /nfs/dbraw/zinc/61/98/33/1182619833.db2.gz GMHAYXKDAMHUIQ-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001731883951 1182650474 /nfs/dbraw/zinc/65/04/74/1182650474.db2.gz BVXSOSZKVBIHFJ-GOEBONIOSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001732070080 1182751134 /nfs/dbraw/zinc/75/11/34/1182751134.db2.gz BCYKZZBWWXTCGB-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001732132260 1182792461 /nfs/dbraw/zinc/79/24/61/1182792461.db2.gz YROYVILZENVDSY-UHFFFAOYSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001732147705 1182804887 /nfs/dbraw/zinc/80/48/87/1182804887.db2.gz WQJOEYOQIOAMKI-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001732209983 1182858599 /nfs/dbraw/zinc/85/85/99/1182858599.db2.gz YZFSAXADXWGMHA-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732998567 1183230215 /nfs/dbraw/zinc/23/02/15/1183230215.db2.gz IWTZUQNNCOXFQX-KGLIPLIRSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001733100227 1183291034 /nfs/dbraw/zinc/29/10/34/1183291034.db2.gz ZMQNJIHVIQDQFD-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001733106312 1183292462 /nfs/dbraw/zinc/29/24/62/1183292462.db2.gz DNLFJYKPWRYELU-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001733324227 1183397102 /nfs/dbraw/zinc/39/71/02/1183397102.db2.gz CRHUPPFLUSVPRB-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[N@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001733416973 1183427203 /nfs/dbraw/zinc/42/72/03/1183427203.db2.gz NFRPFZXFKDJWKG-KRWDZBQOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001733672667 1183494549 /nfs/dbraw/zinc/49/45/49/1183494549.db2.gz CSVZGRCDISJSRX-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001733929041 1183571559 /nfs/dbraw/zinc/57/15/59/1183571559.db2.gz MJARHTUWSGSYFH-INIZCTEOSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001733939170 1183576851 /nfs/dbraw/zinc/57/68/51/1183576851.db2.gz WCNLGYORPBNVJP-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001734395632 1183761884 /nfs/dbraw/zinc/76/18/84/1183761884.db2.gz OJRQDVBXGYZFGD-UKRRQHHQSA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001671752428 1164271208 /nfs/dbraw/zinc/27/12/08/1164271208.db2.gz HWMLPOWYKKHCLO-GDBMZVCRSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000876731335 769317919 /nfs/dbraw/zinc/31/79/19/769317919.db2.gz IMZRRCDAMQAJTJ-DGCLKSJQSA-N 2 0 287.835 1.695 10 30 CDEERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852869666 769434953 /nfs/dbraw/zinc/43/49/53/769434953.db2.gz JVSZQERYFURXNM-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C[NH2+]Cc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852792798 771337017 /nfs/dbraw/zinc/33/70/17/771337017.db2.gz CYXHJAAMLJKOSD-UHFFFAOYSA-N 2 0 271.364 1.348 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000862628708 771853698 /nfs/dbraw/zinc/85/36/98/771853698.db2.gz ISBPCRKUGNWWKK-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C[NH+](C)[C@H](CNC(=[NH2+])NC1CC1)C1CCCCC1 ZINC000066245351 772051926 /nfs/dbraw/zinc/05/19/26/772051926.db2.gz OVZABOQHMYIAAJ-CYBMUJFWSA-N 2 0 252.406 1.564 10 30 CDEERP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CCC[N@@H+]1C ZINC000262013752 772144264 /nfs/dbraw/zinc/14/42/64/772144264.db2.gz VEPFSOVSHSWIOE-HNNXBMFYSA-N 2 0 274.412 1.788 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000876742849 772425739 /nfs/dbraw/zinc/42/57/39/772425739.db2.gz XKZZHRAWEFWSJK-QWHCGFSZSA-N 2 0 285.819 1.543 10 30 CDEERP CC[NH+]=C(NC1CCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261972906 772554744 /nfs/dbraw/zinc/55/47/44/772554744.db2.gz NEQRAIIAIAPVKG-TZMCWYRMSA-N 2 0 266.433 1.823 10 30 CDEERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000863552048 772609483 /nfs/dbraw/zinc/60/94/83/772609483.db2.gz OXGNHSQPJDEMBH-BFHYXJOUSA-N 2 0 265.401 1.504 10 30 CDEERP C[NH+]=C(NC[C@H](C)SC)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261967283 772948855 /nfs/dbraw/zinc/94/88/55/772948855.db2.gz LTSFUPWZICVTTJ-RWMBFGLXSA-N 2 0 286.489 1.632 10 30 CDEERP C#Cc1ccc(NC(=O)CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000929312161 772994604 /nfs/dbraw/zinc/99/46/04/772994604.db2.gz ILBPQOFUTNZUGR-HUUCEWRRSA-N 2 0 283.375 1.148 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876956442 773001679 /nfs/dbraw/zinc/00/16/79/773001679.db2.gz KDXXUPZWBADKIJ-VXGBXAGGSA-N 2 0 287.835 1.693 10 30 CDEERP C#CC[NH+](CC#C)CCC(C)CC[NH+](CC#C)CC#C ZINC000839501315 773042554 /nfs/dbraw/zinc/04/25/54/773042554.db2.gz WBXMUSZNCDBWEP-UHFFFAOYSA-N 2 0 268.404 1.540 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000876754348 773091622 /nfs/dbraw/zinc/09/16/22/773091622.db2.gz MYSGYSALFGEGPY-NEPJUHHUSA-N 2 0 271.792 1.057 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000877015639 773394378 /nfs/dbraw/zinc/39/43/78/773394378.db2.gz XRYPQSJBIKSTHT-CYBMUJFWSA-N 2 0 293.798 1.894 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001691740095 1166854040 /nfs/dbraw/zinc/85/40/40/1166854040.db2.gz JJSSJAJUNHAFRH-QLFBSQMISA-N 2 0 281.444 1.633 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001392236549 977274374 /nfs/dbraw/zinc/27/43/74/977274374.db2.gz UHSIJHNNQJMULW-GFCCVEGCSA-N 2 0 275.824 1.421 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569118049 1167553332 /nfs/dbraw/zinc/55/33/32/1167553332.db2.gz NEKYWBKXIQHOTB-RRFJBIMHSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001570642021 1167579561 /nfs/dbraw/zinc/57/95/61/1167579561.db2.gz QRTZBIVHQIOANC-KGLIPLIRSA-N 2 0 267.417 1.387 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001570640724 1167580140 /nfs/dbraw/zinc/58/01/40/1167580140.db2.gz FFQPNIMSINXCHE-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=CCCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001566439889 1168273009 /nfs/dbraw/zinc/27/30/09/1168273009.db2.gz SLERTAPPBGMSSK-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001566682828 1168387840 /nfs/dbraw/zinc/38/78/40/1168387840.db2.gz NJODEGNUUUHLLX-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566879709 1168454794 /nfs/dbraw/zinc/45/47/94/1168454794.db2.gz RZVLICKZFDTROR-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001567153202 1168598740 /nfs/dbraw/zinc/59/87/40/1168598740.db2.gz JPYRNFAQFSPPRY-HNNXBMFYSA-N 2 0 279.428 1.487 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001567178057 1168606928 /nfs/dbraw/zinc/60/69/28/1168606928.db2.gz JKVAAVAVRIAFAU-CABCVRRESA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001567178143 1168606945 /nfs/dbraw/zinc/60/69/45/1168606945.db2.gz ZLOCIWIXQKURDH-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001567284542 1168659442 /nfs/dbraw/zinc/65/94/42/1168659442.db2.gz LYQJCYIDHSAPQZ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001483735938 913308307 /nfs/dbraw/zinc/30/83/07/913308307.db2.gz YMFLORBRQDLGBJ-ZDUSSCGKSA-N 2 0 297.830 1.319 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001567351312 1168695883 /nfs/dbraw/zinc/69/58/83/1168695883.db2.gz RSOLOOYTXVSBJU-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001282448560 894384592 /nfs/dbraw/zinc/38/45/92/894384592.db2.gz AAHONKHAROVWBW-ZNMIVQPWSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001266495531 895056453 /nfs/dbraw/zinc/05/64/53/895056453.db2.gz ONRCPPZMFYGBJH-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001266498833 895072097 /nfs/dbraw/zinc/07/20/97/895072097.db2.gz GAWOBYMPGCHLLD-IYBDPMFKSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001266818193 896114777 /nfs/dbraw/zinc/11/47/77/896114777.db2.gz YBBXMTGUCNPUDQ-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001266881244 896272884 /nfs/dbraw/zinc/27/28/84/896272884.db2.gz UGIPQDHNXGLHSE-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001266983992 896498807 /nfs/dbraw/zinc/49/88/07/896498807.db2.gz QIAFOEQVPFUZQB-AWEZNQCLSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267064211 896666875 /nfs/dbraw/zinc/66/68/75/896666875.db2.gz DVQCXRKPBRMDPH-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267308047 897551799 /nfs/dbraw/zinc/55/17/99/897551799.db2.gz YTRZWRWOYQDHLL-HOTGVXAUSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCCC[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480975075 898415619 /nfs/dbraw/zinc/41/56/19/898415619.db2.gz FWXFXISWYUAUEK-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267600165 898696440 /nfs/dbraw/zinc/69/64/40/898696440.db2.gz CIIZFKKBIAEOEJ-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001567630058 1168897817 /nfs/dbraw/zinc/89/78/17/1168897817.db2.gz KFXRLEYVGSDDRA-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267682219 899270787 /nfs/dbraw/zinc/27/07/87/899270787.db2.gz DXUGCCCRLLUVOD-HNNXBMFYSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCCCCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267687976 899285819 /nfs/dbraw/zinc/28/58/19/899285819.db2.gz UGUSHPZQPKHQRR-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267700572 899317177 /nfs/dbraw/zinc/31/71/77/899317177.db2.gz DMLASGFLEZPPSH-INIZCTEOSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001481236981 899549081 /nfs/dbraw/zinc/54/90/81/899549081.db2.gz RNZXJXUEZSOAJI-UHFFFAOYSA-N 2 0 279.409 1.105 10 30 CDEERP CC#CC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001267759271 899616129 /nfs/dbraw/zinc/61/61/29/899616129.db2.gz WBNKNOUSVXWFLX-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001267780040 899711655 /nfs/dbraw/zinc/71/16/55/899711655.db2.gz YRWFLIHRICQETJ-INIZCTEOSA-N 2 0 291.439 1.418 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267805813 899777800 /nfs/dbraw/zinc/77/78/00/899777800.db2.gz IVQOOEISOMDCNB-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001267847760 899865457 /nfs/dbraw/zinc/86/54/57/899865457.db2.gz BIPPQZKCYQGIBP-GDBMZVCRSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001481373111 900506286 /nfs/dbraw/zinc/50/62/86/900506286.db2.gz UZWXGDXVUBLFCG-NVXWUHKLSA-N 2 0 299.418 1.409 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCCC[NH+](C)C ZINC001268285925 901751036 /nfs/dbraw/zinc/75/10/36/901751036.db2.gz BNABUGXGUQFZQG-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481812690 902166675 /nfs/dbraw/zinc/16/66/75/902166675.db2.gz RQYIHHUHYVYHES-CABCVRRESA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001481982847 902430906 /nfs/dbraw/zinc/43/09/06/902430906.db2.gz OVUNMRFZBQDFPR-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481988567 902440832 /nfs/dbraw/zinc/44/08/32/902440832.db2.gz DZPBXVUTZXQURC-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001482022091 902477362 /nfs/dbraw/zinc/47/73/62/902477362.db2.gz GBMVEMLHMZTRED-WKILWMFISA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001268540012 902533183 /nfs/dbraw/zinc/53/31/83/902533183.db2.gz BDLVZINTKGZQOR-GXMNPTEKSA-N 2 0 265.401 1.307 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001269278782 903643080 /nfs/dbraw/zinc/64/30/80/903643080.db2.gz PGMZBNAYDBFTAU-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001269672755 904026404 /nfs/dbraw/zinc/02/64/04/904026404.db2.gz ZJJVGAJAFXTELJ-HOCLYGCPSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001270211046 904447718 /nfs/dbraw/zinc/44/77/18/904447718.db2.gz KKHYRXWHNIEUAV-HZPDHXFCSA-N 2 0 291.439 1.485 10 30 CDEERP C=CCC[NH+]1CC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001567849221 1169014318 /nfs/dbraw/zinc/01/43/18/1169014318.db2.gz UXDOTOAHSVYXHX-OKILXGFUSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[N@@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001270600378 904776183 /nfs/dbraw/zinc/77/61/83/904776183.db2.gz ZDQSYFKUQPJFSG-RDJZCZTQSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001270778076 905035474 /nfs/dbraw/zinc/03/54/74/905035474.db2.gz DSJLJPWDXBLRMO-YQQAZPJKSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCCC)CC1 ZINC001482369438 905218823 /nfs/dbraw/zinc/21/88/23/905218823.db2.gz XJMOXOVHTRBYAF-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001271532138 906500935 /nfs/dbraw/zinc/50/09/35/906500935.db2.gz VAODRTPQOCIABC-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001271528945 906503615 /nfs/dbraw/zinc/50/36/15/906503615.db2.gz DASCIZBPZAMHMW-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001271658755 906574675 /nfs/dbraw/zinc/57/46/75/906574675.db2.gz CCUXWAWZNUAASK-CABCVRRESA-N 2 0 281.444 1.588 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001273575490 921341369 /nfs/dbraw/zinc/34/13/69/921341369.db2.gz GCAZMJSHAOMNCT-CQSZACIVSA-N 2 0 290.411 1.378 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001483549550 911238460 /nfs/dbraw/zinc/23/84/60/911238460.db2.gz ITCHXDWOUBFQSO-UONOGXRCSA-N 2 0 265.401 1.141 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001483936533 915209064 /nfs/dbraw/zinc/20/90/64/915209064.db2.gz OORFEMQQWFDZPC-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001484095098 915427768 /nfs/dbraw/zinc/42/77/68/915427768.db2.gz BHJKJZCSGLDWTC-DOTOQJQBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001484412461 915739272 /nfs/dbraw/zinc/73/92/72/915739272.db2.gz RHOWRDOPGWIQJQ-BETUJISGSA-N 2 0 285.819 1.081 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001484647968 916005066 /nfs/dbraw/zinc/00/50/66/916005066.db2.gz VIWLVBSQPQNMPW-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001484978305 916353526 /nfs/dbraw/zinc/35/35/26/916353526.db2.gz JKTSWIJUJKWZPG-ZIAGYGMSSA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001485080994 916491900 /nfs/dbraw/zinc/49/19/00/916491900.db2.gz ZCLUYDSHLCLYIG-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001485499496 917035919 /nfs/dbraw/zinc/03/59/19/917035919.db2.gz ZGIPCMSLCHKOGX-UKRRQHHQSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001485510717 917050641 /nfs/dbraw/zinc/05/06/41/917050641.db2.gz RSVGZSBSNRKXNB-AWEZNQCLSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001485651789 917150625 /nfs/dbraw/zinc/15/06/25/917150625.db2.gz YHASITICNBLBJT-GJZGRUSLSA-N 2 0 297.443 1.108 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001485803544 917347519 /nfs/dbraw/zinc/34/75/19/917347519.db2.gz GWHHYAHGJCXFBC-UONOGXRCSA-N 2 0 299.846 1.660 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001273524337 920108988 /nfs/dbraw/zinc/10/89/88/920108988.db2.gz SFHQAYFZRFNEAP-HNNXBMFYSA-N 2 0 283.460 1.929 10 30 CDEERP C=CC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491124743 936861650 /nfs/dbraw/zinc/86/16/50/936861650.db2.gz BGBKHEAWGHZRTH-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001568401818 1169274351 /nfs/dbraw/zinc/27/43/51/1169274351.db2.gz ZLKQPRRLFABHSQ-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001489244419 926833759 /nfs/dbraw/zinc/83/37/59/926833759.db2.gz URVXKPDFYKXMTR-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001489328097 926871495 /nfs/dbraw/zinc/87/14/95/926871495.db2.gz SSQRWYATHSOYIQ-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001490270908 927067825 /nfs/dbraw/zinc/06/78/25/927067825.db2.gz XSWVFVYSVLBZEX-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001490741617 927314377 /nfs/dbraw/zinc/31/43/77/927314377.db2.gz JUAGCIDDEDKFIT-CVEARBPZSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001275159751 931683912 /nfs/dbraw/zinc/68/39/12/931683912.db2.gz GJBMERGMPBWGDC-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001275730775 931983599 /nfs/dbraw/zinc/98/35/99/931983599.db2.gz XJGCRPNTXQWSSF-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@]12CCC[NH2+]C2 ZINC001122509397 937938352 /nfs/dbraw/zinc/93/83/52/937938352.db2.gz WKUMMRFHAQWDGO-GOEBONIOSA-N 2 0 279.428 1.805 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568775524 1169471766 /nfs/dbraw/zinc/47/17/66/1169471766.db2.gz ATROFMSQZQUMCY-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001280440661 942443642 /nfs/dbraw/zinc/44/36/42/942443642.db2.gz FCIJBJYHVLGTTC-CVEARBPZSA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001281912552 942630980 /nfs/dbraw/zinc/63/09/80/942630980.db2.gz NKORTFGBNWJDHQ-BRWVUGGUSA-N 2 0 299.418 1.332 10 30 CDEERP C#CCC[NH+]1CC([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001282738373 942746708 /nfs/dbraw/zinc/74/67/08/942746708.db2.gz FGGZDHNHUFSMHG-AWEZNQCLSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001283063419 942815537 /nfs/dbraw/zinc/81/55/37/942815537.db2.gz ZAJRKECMJRXBBE-SHTZXODSSA-N 2 0 289.423 1.123 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001283530895 942925953 /nfs/dbraw/zinc/92/59/53/942925953.db2.gz CEFLGOZDARUEJG-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001284067108 943067639 /nfs/dbraw/zinc/06/76/39/943067639.db2.gz KOGBTEJFLMIDRA-YQQAZPJKSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001263880756 944020502 /nfs/dbraw/zinc/02/05/02/944020502.db2.gz YSPIXIRDSUFOPE-VGWMRTNUSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001263906470 944026265 /nfs/dbraw/zinc/02/62/65/944026265.db2.gz LDUGDHNVVOMYLI-ZNMIVQPWSA-N 2 0 281.444 1.633 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001277924183 944060208 /nfs/dbraw/zinc/06/02/08/944060208.db2.gz BMHTVAFBXDSDIG-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001264743057 944173581 /nfs/dbraw/zinc/17/35/81/944173581.db2.gz QUFLMINQVPCJEW-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001265193340 944266700 /nfs/dbraw/zinc/26/67/00/944266700.db2.gz FLYMMGSCQCOQTN-INIZCTEOSA-N 2 0 293.455 1.519 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265453921 944394332 /nfs/dbraw/zinc/39/43/32/944394332.db2.gz AHIWIXBUVVHIQH-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265629641 944451121 /nfs/dbraw/zinc/45/11/21/944451121.db2.gz DBUAGFNVDJRORQ-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265706742 944476968 /nfs/dbraw/zinc/47/69/68/944476968.db2.gz YXTQHERVLWIUQB-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001265971363 944607361 /nfs/dbraw/zinc/60/73/61/944607361.db2.gz KRQZZCAIYMIVFU-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266107425 944687602 /nfs/dbraw/zinc/68/76/02/944687602.db2.gz COMGVXJXXUEFTJ-HUUCEWRRSA-N 2 0 279.428 1.580 10 30 CDEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001266110593 944687757 /nfs/dbraw/zinc/68/77/57/944687757.db2.gz LBMBWEGSWKAQMH-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266143766 944710889 /nfs/dbraw/zinc/71/08/89/944710889.db2.gz IOHCQGGGFNNVHT-GJZGRUSLSA-N 2 0 281.444 1.920 10 30 CDEERP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266154839 944720050 /nfs/dbraw/zinc/72/00/50/944720050.db2.gz HEDIUFLLGNSCDS-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001266174543 944732607 /nfs/dbraw/zinc/73/26/07/944732607.db2.gz LPZSARGMOJGYRK-UHFFFAOYSA-N 2 0 265.401 1.239 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001278403116 947622369 /nfs/dbraw/zinc/62/23/69/947622369.db2.gz GOCRRVUNMRZXDT-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001479913369 971484443 /nfs/dbraw/zinc/48/44/43/971484443.db2.gz YUOMIDKISHBVIH-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001479981711 971524096 /nfs/dbraw/zinc/52/40/96/971524096.db2.gz CCDKUJNHWNATBC-KGLIPLIRSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001480102828 971576011 /nfs/dbraw/zinc/57/60/11/971576011.db2.gz RXZXAFXEFQYTQD-GASCZTMLSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(Cl)CN(CC)CCNC(=O)C[NH+]1CCCC1 ZINC001493057972 971934490 /nfs/dbraw/zinc/93/44/90/971934490.db2.gz BXWROQJCFFKZMF-UHFFFAOYSA-N 2 0 273.808 1.273 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001324831130 953597329 /nfs/dbraw/zinc/59/73/29/953597329.db2.gz AMNGAHIPVBADBT-QGZVFWFLSA-N 2 0 293.455 1.877 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001493108758 971952574 /nfs/dbraw/zinc/95/25/74/971952574.db2.gz REEKNFMTOLJCCZ-GJZGRUSLSA-N 2 0 297.418 1.270 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCC1 ZINC001326928088 954622218 /nfs/dbraw/zinc/62/22/18/954622218.db2.gz IVRQNALDPGEAAC-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001421752090 955521490 /nfs/dbraw/zinc/52/14/90/955521490.db2.gz FHFOIHSMCJPXIY-WCQYABFASA-N 2 0 287.835 1.423 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001493803296 972115548 /nfs/dbraw/zinc/11/55/48/972115548.db2.gz LDICMHGFOQWPJL-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001317191328 955732249 /nfs/dbraw/zinc/73/22/49/955732249.db2.gz DCEHFRBNRPCTEP-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001329473311 955937583 /nfs/dbraw/zinc/93/75/83/955937583.db2.gz YDTMAGJSTYHDLE-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001330360484 956395464 /nfs/dbraw/zinc/39/54/64/956395464.db2.gz PWOKCQQAFUYHRO-YHUYYLMFSA-N 2 0 291.439 1.198 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001330708724 956582803 /nfs/dbraw/zinc/58/28/03/956582803.db2.gz ORPBITSBRMLZKZ-BZUAXINKSA-N 2 0 291.439 1.224 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001331577000 957147805 /nfs/dbraw/zinc/14/78/05/957147805.db2.gz ZCLNFIBTWKUWTD-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001317193482 957335009 /nfs/dbraw/zinc/33/50/09/957335009.db2.gz MEWPHCAJWQKEFG-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001317195241 957336354 /nfs/dbraw/zinc/33/63/54/957336354.db2.gz YWSNQEYOZOBDCU-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCC)C2)CC1 ZINC001317346223 957432283 /nfs/dbraw/zinc/43/22/83/957432283.db2.gz QNWUAHPAPAIGQA-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317366468 957439059 /nfs/dbraw/zinc/43/90/59/957439059.db2.gz QMZFRUQWDONRRY-KGLIPLIRSA-N 2 0 267.417 1.530 10 30 CDEERP C#CCC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001332120987 957440056 /nfs/dbraw/zinc/44/00/56/957440056.db2.gz WZNFEXRTZYQKLI-WBVHZDCISA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001317574454 957571754 /nfs/dbraw/zinc/57/17/54/957571754.db2.gz XKYFVAYEYUDJQZ-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001367411266 957999092 /nfs/dbraw/zinc/99/90/92/957999092.db2.gz XXJKYAHAMNTVDE-RYUDHWBXSA-N 2 0 273.808 1.127 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001318653490 958213272 /nfs/dbraw/zinc/21/32/72/958213272.db2.gz OPMWQWHZRLCFGX-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001494909658 972334333 /nfs/dbraw/zinc/33/43/33/972334333.db2.gz HAYGWVICCQCEMO-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319478205 958585368 /nfs/dbraw/zinc/58/53/68/958585368.db2.gz SELXGDKXNNPGAJ-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001319697773 958693067 /nfs/dbraw/zinc/69/30/67/958693067.db2.gz WBIISTIXZJRLFF-GDBMZVCRSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001495009940 972373013 /nfs/dbraw/zinc/37/30/13/972373013.db2.gz AHDGFIYIEZHGPF-AWEZNQCLSA-N 2 0 298.390 1.764 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)CC[N@@H+](C)CC)CCCC1 ZINC001495200056 972436808 /nfs/dbraw/zinc/43/68/08/972436808.db2.gz OETCKCWZMZAFCI-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001369237466 959561478 /nfs/dbraw/zinc/56/14/78/959561478.db2.gz KIEPTRCZUNZQMR-JSGCOSHPSA-N 2 0 299.846 1.517 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001321113616 959601440 /nfs/dbraw/zinc/60/14/40/959601440.db2.gz ZMLUURRAKRLJPM-XFCCUVRLSA-N 2 0 289.423 1.289 10 30 CDEERP C=CCO[C@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC001321239453 959670662 /nfs/dbraw/zinc/67/06/62/959670662.db2.gz LXIINVWUYQWYHK-KRWDZBQOSA-N 2 0 295.471 1.679 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001321978974 960040272 /nfs/dbraw/zinc/04/02/72/960040272.db2.gz TXNSHJGYXUOQRH-QWHCGFSZSA-N 2 0 255.406 1.243 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001495467077 972510998 /nfs/dbraw/zinc/51/09/98/972510998.db2.gz QPHHJPPFZSKRQE-BZUAXINKSA-N 2 0 293.455 1.613 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001438427893 963445176 /nfs/dbraw/zinc/44/51/76/963445176.db2.gz DULJPOQPUWIJKS-SWLSCSKDSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001441296357 964455365 /nfs/dbraw/zinc/45/53/65/964455365.db2.gz JWTYSSBZNQCYCB-CYBMUJFWSA-N 2 0 287.835 1.564 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001441532588 964566198 /nfs/dbraw/zinc/56/61/98/964566198.db2.gz CTLAGZNFZUMLNI-VXGBXAGGSA-N 2 0 275.824 1.516 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001515597358 969904315 /nfs/dbraw/zinc/90/43/15/969904315.db2.gz DFTORSIQBNBQHZ-RFQIPJPRSA-N 2 0 265.401 1.126 10 30 CDEERP C=CCC[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001569646287 1169952080 /nfs/dbraw/zinc/95/20/80/1169952080.db2.gz HKXPAEHTOQKGOS-AWEZNQCLSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[N@@H+](C)CCN(C)C(=O)c1ccn2c(C)cnc2c1 ZINC001496704432 973055297 /nfs/dbraw/zinc/05/52/97/973055297.db2.gz KUZWUGGQCXLJPF-UHFFFAOYSA-N 2 0 284.363 1.280 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497242384 973258762 /nfs/dbraw/zinc/25/87/62/973258762.db2.gz WYNJLIQBVQMZIR-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001418268367 973713254 /nfs/dbraw/zinc/71/32/54/973713254.db2.gz NYXZIMNWWGNYNH-ZDUSSCGKSA-N 2 0 288.395 1.104 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001500087966 974372251 /nfs/dbraw/zinc/37/22/51/974372251.db2.gz HIESFHFUNVHGDT-BMFZPTHFSA-N 2 0 293.455 1.777 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001505408675 974864048 /nfs/dbraw/zinc/86/40/48/974864048.db2.gz JLEQWGZRQZDDBG-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH+](C)[C@@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001505969827 975064707 /nfs/dbraw/zinc/06/47/07/975064707.db2.gz PXQQCRXWMMEQKG-HNNXBMFYSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001506550952 975177806 /nfs/dbraw/zinc/17/78/06/975177806.db2.gz APKIJKRFQYBGKJ-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001507402248 975453856 /nfs/dbraw/zinc/45/38/56/975453856.db2.gz XCAQITYTPJISSA-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001405645523 975803063 /nfs/dbraw/zinc/80/30/63/975803063.db2.gz NVFIEQYSULAXDB-SMDDNHRTSA-N 2 0 299.846 1.423 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001569855076 1170018764 /nfs/dbraw/zinc/01/87/64/1170018764.db2.gz HYGUBQHXCHQRQL-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001677442081 1174360962 /nfs/dbraw/zinc/36/09/62/1174360962.db2.gz WHCVWZNYYBDQKV-DQPZFDDXSA-N 2 0 291.439 1.627 10 30 CDEERP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001569915635 1170036064 /nfs/dbraw/zinc/03/60/64/1170036064.db2.gz SYQMXLYGUOAUCN-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001570015715 1170060171 /nfs/dbraw/zinc/06/01/71/1170060171.db2.gz OLUNHYBKMHOZBX-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCC1 ZINC001570115208 1170084360 /nfs/dbraw/zinc/08/43/60/1170084360.db2.gz INFSCUFSTHMGCY-UHFFFAOYSA-N 2 0 253.390 1.143 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001570200660 1170110114 /nfs/dbraw/zinc/11/01/14/1170110114.db2.gz CHUXMCAGUYAJIC-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001570747024 1170267238 /nfs/dbraw/zinc/26/72/38/1170267238.db2.gz AXKBTYLJXPNGKG-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001570825623 1170289692 /nfs/dbraw/zinc/28/96/92/1170289692.db2.gz WBMFXLCIUFVOFG-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001571493560 1170453863 /nfs/dbraw/zinc/45/38/63/1170453863.db2.gz SINSTBSJJBGEJT-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001571494125 1170453796 /nfs/dbraw/zinc/45/37/96/1170453796.db2.gz ZVBAWAYBQPYIJL-STQMWFEESA-N 2 0 253.390 1.092 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000594438821 342906318 /nfs/dbraw/zinc/90/63/18/342906318.db2.gz MBBLTEUTCSOOIQ-SOUVJXGZSA-N 2 0 292.427 1.388 10 30 CDEERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438586 342906409 /nfs/dbraw/zinc/90/64/09/342906409.db2.gz OMXZJTOAPNOELL-ZIAGYGMSSA-N 2 0 280.416 1.388 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000594439498 342906683 /nfs/dbraw/zinc/90/66/83/342906683.db2.gz RHXUWYQWWLSATP-OAHLLOKOSA-N 2 0 288.395 1.385 10 30 CDEERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CCCCC#N)[C@@H](C)C1 ZINC000594439645 342906750 /nfs/dbraw/zinc/90/67/50/342906750.db2.gz TZYJFZPZGKVFGJ-ZNMIVQPWSA-N 2 0 294.443 1.586 10 30 CDEERP CCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594440594 342907115 /nfs/dbraw/zinc/90/71/15/342907115.db2.gz GTMVHXJZLHPMHV-AWEZNQCLSA-N 2 0 280.416 1.388 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000594440741 342907330 /nfs/dbraw/zinc/90/73/30/342907330.db2.gz INVYCFINDSSNIH-BFHYXJOUSA-N 2 0 278.400 1.141 10 30 CDEERP N#CC1(C[NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)CCCCC1 ZINC000594740567 342951579 /nfs/dbraw/zinc/95/15/79/342951579.db2.gz YZGURMDHDUEPKU-CQSZACIVSA-N 2 0 292.427 1.247 10 30 CDEERP C[NH+](C)CCC[C@@H]1C[N@H+](CCCSCC#N)CCO1 ZINC000595907748 343188881 /nfs/dbraw/zinc/18/88/81/343188881.db2.gz XOLBKDOXMRWRFM-CQSZACIVSA-N 2 0 285.457 1.676 10 30 CDEERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(C#N)cc1 ZINC000596650530 343371307 /nfs/dbraw/zinc/37/13/07/343371307.db2.gz KRZCJXATEMZLNY-OAHLLOKOSA-N 2 0 261.369 1.444 10 30 CDEERP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000600768890 349878566 /nfs/dbraw/zinc/87/85/66/349878566.db2.gz HOSVVIAPLNOAJY-ZENOOKHLSA-N 2 0 289.379 1.870 10 30 CDEERP C=C(C)C[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001660628626 1172245878 /nfs/dbraw/zinc/24/58/78/1172245878.db2.gz ZNCAWELCCVJBRU-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC(C)(C)CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000637320966 359713873 /nfs/dbraw/zinc/71/38/73/359713873.db2.gz CMKIQYAXYIZHNB-UHFFFAOYSA-N 2 0 298.475 1.724 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626970286 367107956 /nfs/dbraw/zinc/10/79/56/367107956.db2.gz JKMHFTAHJNLMQO-OCCSQVGLSA-N 2 0 280.416 1.077 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001661510503 1172400255 /nfs/dbraw/zinc/40/02/55/1172400255.db2.gz CFINKPDSLHDIPS-HDJSIYSDSA-N 2 0 265.401 1.285 10 30 CDEERP C=CC[C@]1(C(=O)N2CCCCC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000638815344 374993662 /nfs/dbraw/zinc/99/36/62/374993662.db2.gz MKRMQBICLODFSS-DZGCQCFKSA-N 2 0 265.401 1.415 10 30 CDEERP C=C[C@@H]1OCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001664756192 1172904692 /nfs/dbraw/zinc/90/46/92/1172904692.db2.gz NQFGBFYNYRDJSF-GMRIPVOYSA-N 2 0 294.439 1.953 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H](C)C[NH+]2CCCC2)CCC[NH2+]1 ZINC000662688094 413313895 /nfs/dbraw/zinc/31/38/95/413313895.db2.gz MJGMKRDSNMEMKT-HOCLYGCPSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H](C)CCCC[NH3+])CCC[NH2+]1 ZINC000662781674 413489784 /nfs/dbraw/zinc/48/97/84/413489784.db2.gz XXWAPHBDWAMGPT-OCCSQVGLSA-N 2 0 253.390 1.318 10 30 CDEERP C#CCN1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000037236773 173054707 /nfs/dbraw/zinc/05/47/07/173054707.db2.gz XBRGZXYNALTFIE-UHFFFAOYSA-N 2 0 263.429 1.546 10 30 CDEERP CC(C)[N@H+](CCO)Cc1cc(C#CC[NH3+])cs1 ZINC000043689090 175095502 /nfs/dbraw/zinc/09/55/02/175095502.db2.gz CKXQSGFZWDCUBX-UHFFFAOYSA-N 2 0 252.383 1.261 10 30 CDEERP CC(C)N[C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190770 176069025 /nfs/dbraw/zinc/06/90/25/176069025.db2.gz GBWLVBXAIYLVEE-JKSUJKDBSA-N 2 0 280.460 1.930 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001666977852 1173216428 /nfs/dbraw/zinc/21/64/28/1173216428.db2.gz XBVCPDUNQIMIHD-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP CC(C)C[N@@H+]1CCCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000160819756 264262092 /nfs/dbraw/zinc/26/20/92/264262092.db2.gz ZTQOEGGIXHRBBG-AWEZNQCLSA-N 2 0 268.449 1.976 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001666992265 1173217531 /nfs/dbraw/zinc/21/75/31/1173217531.db2.gz MTAKWUARJHYMPB-CABCVRRESA-N 2 0 281.444 1.567 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001267135339 1159133112 /nfs/dbraw/zinc/13/31/12/1159133112.db2.gz OFFUKIODBOCEER-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000171725545 329079212 /nfs/dbraw/zinc/07/92/12/329079212.db2.gz FFRKJPAAZKZCKZ-AWEZNQCLSA-N 2 0 280.416 1.030 10 30 CDEERP N#CCCC[C@@H]([NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000424169716 330312148 /nfs/dbraw/zinc/31/21/48/330312148.db2.gz HGAUTRUJFUUZLD-JXQTWKCFSA-N 2 0 278.400 1.141 10 30 CDEERP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001267204425 1159174897 /nfs/dbraw/zinc/17/48/97/1159174897.db2.gz BLEUKIGBQRHATD-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001700735374 1160798120 /nfs/dbraw/zinc/79/81/20/1160798120.db2.gz BHZMZRPUIXZTGA-CVEARBPZSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691650980 1161334857 /nfs/dbraw/zinc/33/48/57/1161334857.db2.gz FANFNKFHQXXUFL-JKSUJKDBSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001691661440 1161442342 /nfs/dbraw/zinc/44/23/42/1161442342.db2.gz TWXPOTZECDIDSH-JKSUJKDBSA-N 2 0 293.455 1.663 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001691670127 1161485652 /nfs/dbraw/zinc/48/56/52/1161485652.db2.gz IGVVLMFFXORJEZ-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C[NH+](C)C[C@@H]1CCCN1Cc1ccc(C#CC[NH3+])s1 ZINC000061652284 521841613 /nfs/dbraw/zinc/84/16/13/521841613.db2.gz ARTIZXWPUOGNMK-ZDUSSCGKSA-N 2 0 277.437 1.584 10 30 CDEERP COC[C@@H](C)[N@H+](C)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609587 522218819 /nfs/dbraw/zinc/21/88/19/522218819.db2.gz PRZIWLVFYNNIKS-GFCCVEGCSA-N 2 0 264.344 1.603 10 30 CDEERP CN1CCC([N@H+](C)Cc2ccc(C#CC[NH3+])cc2)CC1 ZINC000049608599 523203395 /nfs/dbraw/zinc/20/33/95/523203395.db2.gz FIDZTBYZAGUBRW-UHFFFAOYSA-N 2 0 271.408 1.523 10 30 CDEERP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000049608324 523514636 /nfs/dbraw/zinc/51/46/36/523514636.db2.gz WXOQWIQVWPJHNK-HNNXBMFYSA-N 2 0 288.391 1.210 10 30 CDEERP COc1ccc(C[NH+]2CCSCC2)cc1C#CC[NH3+] ZINC000049608769 524036141 /nfs/dbraw/zinc/03/61/41/524036141.db2.gz WQJQDAHMFMOVAV-UHFFFAOYSA-N 2 0 276.405 1.554 10 30 CDEERP C[C@H](C[C@](C)(N)C#N)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000068615385 524653187 /nfs/dbraw/zinc/65/31/87/524653187.db2.gz LBXDLBZJBCKFKO-ZBFHGGJFSA-N 2 0 278.444 1.814 10 30 CDEERP [NH3+]CC#Cc1ccsc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062967863 527154376 /nfs/dbraw/zinc/15/43/76/527154376.db2.gz DZRWTSLMYCQZMU-OAHLLOKOSA-N 2 0 289.448 1.728 10 30 CDEERP [NH3+]CC#Cc1csc(C[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052763103 527156398 /nfs/dbraw/zinc/15/63/98/527156398.db2.gz XRCMCLYPVNWXPQ-CQSZACIVSA-N 2 0 278.421 1.795 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941220807 613599849 /nfs/dbraw/zinc/59/98/49/613599849.db2.gz IDPXFIKZEPWZTD-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000939389736 613868631 /nfs/dbraw/zinc/86/86/31/613868631.db2.gz WDJLERGFPMPYGG-LSDHHAIUSA-N 2 0 279.428 1.341 10 30 CDEERP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902794450 625413238 /nfs/dbraw/zinc/41/32/38/625413238.db2.gz VZKVVWLMNMQXBF-LBPRGKRZSA-N 2 0 258.369 1.946 10 30 CDEERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902839269 625492544 /nfs/dbraw/zinc/49/25/44/625492544.db2.gz PWLPINIKAFNVHM-UKRRQHHQSA-N 2 0 290.411 1.961 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000900554876 623201638 /nfs/dbraw/zinc/20/16/38/623201638.db2.gz ZFEOZHVYHPRCTL-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP N#CC1CCC(C[NH+]2CCC(O)(C[NH3+])CC2)CC1 ZINC000903459573 625994754 /nfs/dbraw/zinc/99/47/54/625994754.db2.gz LNGAZFUWIGGZTC-UHFFFAOYSA-N 2 0 251.374 1.102 10 30 CDEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510901 626012877 /nfs/dbraw/zinc/01/28/77/626012877.db2.gz UCJHGBUNJHWCIJ-IYBDPMFKSA-N 2 0 263.429 1.853 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000908188864 628060675 /nfs/dbraw/zinc/06/06/75/628060675.db2.gz FNRCJMIJCWNEDS-LSDHHAIUSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000912602561 630094211 /nfs/dbraw/zinc/09/42/11/630094211.db2.gz VULMGRIWKDVVDH-QWHCGFSZSA-N 2 0 265.401 1.093 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001690981784 1158513130 /nfs/dbraw/zinc/51/31/30/1158513130.db2.gz FLACGHQCASSEKI-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001691243600 1158972108 /nfs/dbraw/zinc/97/21/08/1158972108.db2.gz LKGGFDVVBIAQMT-ARFHVFGLSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001266913275 1158983064 /nfs/dbraw/zinc/98/30/64/1158983064.db2.gz BWXKQZPXVHKIBF-UHFFFAOYSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267536723 1159444244 /nfs/dbraw/zinc/44/42/44/1159444244.db2.gz ZDODLXPMMCGVFL-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001268083977 1159782781 /nfs/dbraw/zinc/78/27/81/1159782781.db2.gz DGJDQDPLSPDUCW-KGLIPLIRSA-N 2 0 269.433 1.729 10 30 CDEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001700735377 1160798577 /nfs/dbraw/zinc/79/85/77/1160798577.db2.gz BHZMZRPUIXZTGA-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483676711 1161055150 /nfs/dbraw/zinc/05/51/50/1161055150.db2.gz POKBOKCZAGAXLS-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001628376369 1166067419 /nfs/dbraw/zinc/06/74/19/1166067419.db2.gz VJWYGFBNRGXEGQ-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)Cc1[nH]cnc1C ZINC001640019470 1166984999 /nfs/dbraw/zinc/98/49/99/1166984999.db2.gz CRFAHHUZTQUXJC-UHFFFAOYSA-N 2 0 264.373 1.227 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001566901591 1168461721 /nfs/dbraw/zinc/46/17/21/1168461721.db2.gz GQDONOOJGMIXNV-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001567495052 1168809971 /nfs/dbraw/zinc/80/99/71/1168809971.db2.gz UDLIREPWHUIZOO-ZDUSSCGKSA-N 2 0 287.835 1.660 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001568119182 1169140083 /nfs/dbraw/zinc/14/00/83/1169140083.db2.gz UELFOJUIIGQIRH-QGZVFWFLSA-N 2 0 299.418 1.510 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568171572 1169160815 /nfs/dbraw/zinc/16/08/15/1169160815.db2.gz DBWMAISZWWQXNI-QLFBSQMISA-N 2 0 279.428 1.082 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCC1 ZINC001568236988 1169193561 /nfs/dbraw/zinc/19/35/61/1169193561.db2.gz KAVXNVCPZDKEIL-UHFFFAOYSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001568693411 1169434240 /nfs/dbraw/zinc/43/42/40/1169434240.db2.gz UFJOKIBJAPSKHW-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001661748815 1172441458 /nfs/dbraw/zinc/44/14/58/1172441458.db2.gz YDIBTRSNMPOUKT-CABCVRRESA-N 2 0 281.444 1.587 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001661814657 1172450468 /nfs/dbraw/zinc/45/04/68/1172450468.db2.gz PCFGOHFPJVLPEG-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001663768426 1172760517 /nfs/dbraw/zinc/76/05/17/1172760517.db2.gz DSWKFKHQTIXSGT-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001666903691 1173205959 /nfs/dbraw/zinc/20/59/59/1173205959.db2.gz WPUWDHNMFWTMSF-HIFRSBDPSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001672915192 1173808284 /nfs/dbraw/zinc/80/82/84/1173808284.db2.gz FZEDBQSODXYONX-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001690291786 1175427352 /nfs/dbraw/zinc/42/73/52/1175427352.db2.gz AFEAAVZDUHFEQY-YHUYYLMFSA-N 2 0 291.439 1.816 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001690301962 1175432147 /nfs/dbraw/zinc/43/21/47/1175432147.db2.gz QUXAFIYFHZZGMA-JOCQHMNTSA-N 2 0 253.390 1.140 10 30 CDEERP C#CC[NH2+]C[C@](C)(NC(=O)CCC[NH+]1CCCC1)C1CC1 ZINC001698654015 1175888295 /nfs/dbraw/zinc/88/82/95/1175888295.db2.gz RWDKRYJFZTUTCB-KRWDZBQOSA-N 2 0 291.439 1.370 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001699108218 1176097317 /nfs/dbraw/zinc/09/73/17/1176097317.db2.gz ZCRMSRMZNZDYNS-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001699533198 1176465903 /nfs/dbraw/zinc/46/59/03/1176465903.db2.gz FOTWWTQZRBWCNR-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001699573566 1176478393 /nfs/dbraw/zinc/47/83/93/1176478393.db2.gz HWUUTMTVJQZBRI-HUUCEWRRSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001699666180 1176559067 /nfs/dbraw/zinc/55/90/67/1176559067.db2.gz PEZFDIVUTDKXEW-UONOGXRCSA-N 2 0 277.412 1.428 10 30 CDEERP C=C(C)CC[NH+]1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001699722720 1176587715 /nfs/dbraw/zinc/58/77/15/1176587715.db2.gz KJIAOCQSYPXDTR-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699750568 1176605926 /nfs/dbraw/zinc/60/59/26/1176605926.db2.gz KUOFFAIXCJLETC-HOTGVXAUSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001699934122 1176686678 /nfs/dbraw/zinc/68/66/78/1176686678.db2.gz JZGNXLBCVZBYJJ-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001699971733 1176701446 /nfs/dbraw/zinc/70/14/46/1176701446.db2.gz YVKXGGPKLSNDEC-GOEBONIOSA-N 2 0 293.455 1.588 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001700139301 1176766046 /nfs/dbraw/zinc/76/60/46/1176766046.db2.gz WTPAFTGCUUTITH-CABCVRRESA-N 2 0 289.423 1.265 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001700505894 1176986137 /nfs/dbraw/zinc/98/61/37/1176986137.db2.gz HXNMJBJCEZDHAN-CABCVRRESA-N 2 0 281.444 1.423 10 30 CDEERP C#CCC[N@H+]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001700573984 1177020245 /nfs/dbraw/zinc/02/02/45/1177020245.db2.gz HYSDRNFMBMJSPA-KBPBESRZSA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001700714694 1177088648 /nfs/dbraw/zinc/08/86/48/1177088648.db2.gz OFLFVAOFRPPHSS-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001700769050 1177123628 /nfs/dbraw/zinc/12/36/28/1177123628.db2.gz VNLNHYKIXQLSGR-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C#CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001700888921 1177179468 /nfs/dbraw/zinc/17/94/68/1177179468.db2.gz RORYYQXXBUXZGL-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001700899633 1177187114 /nfs/dbraw/zinc/18/71/14/1177187114.db2.gz COKOKEMEIAYZIW-ZBFHGGJFSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCN1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001707064636 1177936012 /nfs/dbraw/zinc/93/60/12/1177936012.db2.gz YOJDLUVXWHGLNM-JKSUJKDBSA-N 2 0 291.439 1.273 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001707064376 1177937040 /nfs/dbraw/zinc/93/70/40/1177937040.db2.gz XGNQFYBMKIXCOW-MRXNPFEDSA-N 2 0 291.439 1.418 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001707469812 1178065984 /nfs/dbraw/zinc/06/59/84/1178065984.db2.gz KJELFAGCQXLSLD-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001713457715 1178576207 /nfs/dbraw/zinc/57/62/07/1178576207.db2.gz LIAITSGIOXGGNH-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001713599471 1178676358 /nfs/dbraw/zinc/67/63/58/1178676358.db2.gz CNLLNBMSOVIHQV-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001714005322 1178923564 /nfs/dbraw/zinc/92/35/64/1178923564.db2.gz CIBLKXVYLPJHEY-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001714106428 1178976334 /nfs/dbraw/zinc/97/63/34/1178976334.db2.gz LZAGKPUEWOEEOZ-CZUORRHYSA-N 2 0 299.434 1.869 10 30 CDEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001714121850 1178982719 /nfs/dbraw/zinc/98/27/19/1178982719.db2.gz CRPZRGDNAKDKDR-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@@H]1C ZINC001714184630 1179005961 /nfs/dbraw/zinc/00/59/61/1179005961.db2.gz BGHKCILAQYEYNE-DOTOQJQBSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001714364423 1179106606 /nfs/dbraw/zinc/10/66/06/1179106606.db2.gz SVSQPPSGNFYPCH-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714390074 1179120096 /nfs/dbraw/zinc/12/00/96/1179120096.db2.gz BLBGOHFJUOUVCE-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001714659721 1179306404 /nfs/dbraw/zinc/30/64/04/1179306404.db2.gz UJGQSOOFLCSAFT-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001714729292 1179363249 /nfs/dbraw/zinc/36/32/49/1179363249.db2.gz XEIYLRLMSQFTPD-UHFFFAOYSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CCC)C1 ZINC001714859112 1179422542 /nfs/dbraw/zinc/42/25/42/1179422542.db2.gz GCNPUVZCGLANJU-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001715066797 1179537199 /nfs/dbraw/zinc/53/71/99/1179537199.db2.gz YCOIZTVVZDSPHM-HOCLYGCPSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001715496012 1179682783 /nfs/dbraw/zinc/68/27/83/1179682783.db2.gz WBWRUOHKMUVQGV-UONOGXRCSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001716028630 1180004832 /nfs/dbraw/zinc/00/48/32/1180004832.db2.gz ZBIOMVVZXYXGKF-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001716216460 1180106943 /nfs/dbraw/zinc/10/69/43/1180106943.db2.gz CSWHPBJHNAHKOP-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001716788672 1180416034 /nfs/dbraw/zinc/41/60/34/1180416034.db2.gz QOTOGTUXBHKKSZ-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001717748127 1180826540 /nfs/dbraw/zinc/82/65/40/1180826540.db2.gz BGFJDIKUFWKOOV-AWEZNQCLSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001717751685 1180828230 /nfs/dbraw/zinc/82/82/30/1180828230.db2.gz ZSSVLAVZWDLPJA-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001717806908 1180867774 /nfs/dbraw/zinc/86/77/74/1180867774.db2.gz ZZAKTVRJKGQIIY-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001717879299 1180908986 /nfs/dbraw/zinc/90/89/86/1180908986.db2.gz NMWLQNFLCFRJJN-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001723982301 1181627607 /nfs/dbraw/zinc/62/76/07/1181627607.db2.gz VWECCMMJPLPYDS-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001724245826 1181658667 /nfs/dbraw/zinc/65/86/67/1181658667.db2.gz WJOQWDVFQKSAAT-NVXWUHKLSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001724651179 1181715499 /nfs/dbraw/zinc/71/54/99/1181715499.db2.gz PARKPNNXOMEDKA-HOTGVXAUSA-N 2 0 293.455 1.968 10 30 CDEERP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001724659656 1181717014 /nfs/dbraw/zinc/71/70/14/1181717014.db2.gz WLGWCJCABMLRFB-HUUCEWRRSA-N 2 0 289.423 1.027 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001725004070 1181822680 /nfs/dbraw/zinc/82/26/80/1181822680.db2.gz VFKHPHQHEFGKHV-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001725337306 1181964985 /nfs/dbraw/zinc/96/49/85/1181964985.db2.gz PDIMEBWBWITVGP-ARFHVFGLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001725602732 1182070907 /nfs/dbraw/zinc/07/09/07/1182070907.db2.gz FSDKVQXWGVVMKX-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)CC1(C)C ZINC001725681575 1182095869 /nfs/dbraw/zinc/09/58/69/1182095869.db2.gz SHAKGLORSFJJGQ-CYBMUJFWSA-N 2 0 290.411 1.745 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C ZINC001725759581 1182124565 /nfs/dbraw/zinc/12/45/65/1182124565.db2.gz WALGGNAQPMOGQK-CQSZACIVSA-N 2 0 281.444 1.472 10 30 CDEERP C#CC[NH+]1CCC(C2(NC(=O)CC[N@@H+](C)CC)CC2)CC1 ZINC001725795853 1182133318 /nfs/dbraw/zinc/13/33/18/1182133318.db2.gz BOSCHEJKGHWASP-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001731597054 1182471086 /nfs/dbraw/zinc/47/10/86/1182471086.db2.gz KIWOOZDHRFDYDC-GFCCVEGCSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001731667173 1182509626 /nfs/dbraw/zinc/50/96/26/1182509626.db2.gz KBBIJWXBTDIFFE-XHSDSOJGSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001731693849 1182521355 /nfs/dbraw/zinc/52/13/55/1182521355.db2.gz GGAPJHSORGCFQO-JKSUJKDBSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001731836275 1182615461 /nfs/dbraw/zinc/61/54/61/1182615461.db2.gz XVCCGKKTYHEWMJ-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001732126980 1182790868 /nfs/dbraw/zinc/79/08/68/1182790868.db2.gz SRFHAYMOWDSAQR-AWEZNQCLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001732489133 1182987480 /nfs/dbraw/zinc/98/74/80/1182987480.db2.gz SIIAOQOWUGYQQD-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001733027332 1183244893 /nfs/dbraw/zinc/24/48/93/1183244893.db2.gz LNYSQJKEUBQAIW-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001733167563 1183313654 /nfs/dbraw/zinc/31/36/54/1183313654.db2.gz WQHSMEIUXWIFPT-GJZGRUSLSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001733434530 1183432291 /nfs/dbraw/zinc/43/22/91/1183432291.db2.gz HKKKEZAORUMMAD-INIZCTEOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001733675617 1183494376 /nfs/dbraw/zinc/49/43/76/1183494376.db2.gz GVYPHFWVZYGHHO-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCC1 ZINC001733716341 1183506454 /nfs/dbraw/zinc/50/64/54/1183506454.db2.gz RLLOXAKKAHLLIE-AWEZNQCLSA-N 2 0 297.418 1.318 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001733940309 1183577223 /nfs/dbraw/zinc/57/72/23/1183577223.db2.gz VICWXIBVWSLTHF-HNNXBMFYSA-N 2 0 279.428 1.581 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001734126223 1183668444 /nfs/dbraw/zinc/66/84/44/1183668444.db2.gz RITWLXJVFCCOKI-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001734215440 1183694396 /nfs/dbraw/zinc/69/43/96/1183694396.db2.gz PSKARERPIWZDFY-BZUAXINKSA-N 2 0 291.439 1.367 10 30 CDEERP C=CCC[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001734287531 1183713435 /nfs/dbraw/zinc/71/34/35/1183713435.db2.gz VZBQIFXNNMDXHX-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001734420251 1183772735 /nfs/dbraw/zinc/77/27/35/1183772735.db2.gz CXBHQJFIVXXVNO-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852865346 773955642 /nfs/dbraw/zinc/95/56/42/773955642.db2.gz ZTDBCEVRHYNNJP-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP CN(CCC#N)C[C@@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000872229779 773990598 /nfs/dbraw/zinc/99/05/98/773990598.db2.gz SZWNDFQFZMSKSI-PCKAHOCUSA-N 2 0 296.459 1.045 10 30 CDEERP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(CC#N)CC1)[NH2+]2 ZINC000925609078 774896910 /nfs/dbraw/zinc/89/69/10/774896910.db2.gz OLDZZMXNOMIQTF-SPWCGHHHSA-N 2 0 262.401 1.093 10 30 CDEERP CCC[NH+]1CCC(CNC(=[NH2+])NCC2CCC2)CC1 ZINC000104177541 775157116 /nfs/dbraw/zinc/15/71/16/775157116.db2.gz ZNHJTAMUMJXDEI-UHFFFAOYSA-N 2 0 266.433 1.813 10 30 CDEERP C#C[C@H]1CCC[N@@H+](C[C@@H](O)CN(C)Cc2ccccc2)C1 ZINC000847022740 775320496 /nfs/dbraw/zinc/32/04/96/775320496.db2.gz JNHLEIIBGJHGHW-WMZOPIPTSA-N 2 0 286.419 1.825 10 30 CDEERP C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261982015 775529116 /nfs/dbraw/zinc/52/91/16/775529116.db2.gz PAZWCBVCOOBEAD-YRRQLQLVSA-N 2 0 250.390 1.043 10 30 CDEERP C#CC[C@@H](COC)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000862548376 775810638 /nfs/dbraw/zinc/81/06/38/775810638.db2.gz DUOBAALOJLILNW-HNNXBMFYSA-N 2 0 250.386 1.489 10 30 CDEERP C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248892 775963966 /nfs/dbraw/zinc/96/39/66/775963966.db2.gz XTYZNOJLYCRBFY-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000876925442 775995752 /nfs/dbraw/zinc/99/57/52/775995752.db2.gz GAOWFFBMSOWTNR-NEPJUHHUSA-N 2 0 279.771 1.373 10 30 CDEERP C=CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C(C)(C)C ZINC000878949863 776321616 /nfs/dbraw/zinc/32/16/16/776321616.db2.gz LOIVMISCYMMNMD-UHFFFAOYSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC(C)(C)CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000872243207 776373858 /nfs/dbraw/zinc/37/38/58/776373858.db2.gz LCQSSHHWZGREFK-OAHLLOKOSA-N 2 0 283.460 1.177 10 30 CDEERP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H](O)CC#N)C1 ZINC000809574252 776499985 /nfs/dbraw/zinc/49/99/85/776499985.db2.gz IGIDFTOOJNFKSP-HRCADAONSA-N 2 0 279.428 1.847 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000876793334 776703606 /nfs/dbraw/zinc/70/36/06/776703606.db2.gz CAZBJARLRYEYJW-LLVKDONJSA-N 2 0 280.759 1.136 10 30 CDEERP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000852861178 777264762 /nfs/dbraw/zinc/26/47/62/777264762.db2.gz QBVNFXSZOZXCLG-OAHLLOKOSA-N 2 0 291.439 1.228 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000876927935 777554646 /nfs/dbraw/zinc/55/46/46/777554646.db2.gz PBLVDOIQCCKXAD-QTKMDUPCSA-N 2 0 273.808 1.288 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000876723738 777869052 /nfs/dbraw/zinc/86/90/52/777869052.db2.gz GMWOXRILESSVBE-NWDGAFQWSA-N 2 0 273.808 1.447 10 30 CDEERP C[N@@H+]1CC[C@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000303907267 778560854 /nfs/dbraw/zinc/56/08/54/778560854.db2.gz WUEHHMCYQAMDNU-LLVKDONJSA-N 2 0 266.414 1.147 10 30 CDEERP C#CCC1(O)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000880479579 778679800 /nfs/dbraw/zinc/67/98/00/778679800.db2.gz XPZYXTCWHXQJTB-HNNXBMFYSA-N 2 0 264.413 1.711 10 30 CDEERP C#CC[N@@H+](C)CCCNC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864467677 778788908 /nfs/dbraw/zinc/78/89/08/778788908.db2.gz WPMHIJAQWCWSQR-ZDUSSCGKSA-N 2 0 250.390 1.198 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CCC[NH2+]1 ZINC000852879591 778912827 /nfs/dbraw/zinc/91/28/27/778912827.db2.gz FROZUGLQCOWOOB-SJLPKXTDSA-N 2 0 299.418 1.688 10 30 CDEERP N#Cc1ccc([C@@H](O)CN2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000709017110 778964101 /nfs/dbraw/zinc/96/41/01/778964101.db2.gz XTTIVRAIMKLWQT-CVEARBPZSA-N 2 0 273.380 1.795 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000876773028 779031449 /nfs/dbraw/zinc/03/14/49/779031449.db2.gz LWRNGBAKANXLKH-UONOGXRCSA-N 2 0 299.846 1.791 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000876970342 779077450 /nfs/dbraw/zinc/07/74/50/779077450.db2.gz PCCUTCMTSXYVKC-STQMWFEESA-N 2 0 287.835 1.693 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](CCCC)CC1 ZINC000876742924 779467964 /nfs/dbraw/zinc/46/79/64/779467964.db2.gz UWWASJPFNRTACI-ZDUSSCGKSA-N 2 0 287.835 1.837 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001568685408 1167539448 /nfs/dbraw/zinc/53/94/48/1167539448.db2.gz WZMFHTUTVKHOBV-CABCVRRESA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001569638815 1167564762 /nfs/dbraw/zinc/56/47/62/1167564762.db2.gz HUSOPYYDHHBOHT-ZFWWWQNUSA-N 2 0 285.407 1.433 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001566516716 1168318282 /nfs/dbraw/zinc/31/82/82/1168318282.db2.gz VUSNEVFEZUGVRP-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001566625427 1168359944 /nfs/dbraw/zinc/35/99/44/1168359944.db2.gz JDWJVTUATGFKKC-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001566629229 1168364031 /nfs/dbraw/zinc/36/40/31/1168364031.db2.gz VOMMCCYPZOGYDL-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001566764361 1168412711 /nfs/dbraw/zinc/41/27/11/1168412711.db2.gz BPRFSHXGPDZFTJ-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001266479740 895023267 /nfs/dbraw/zinc/02/32/67/895023267.db2.gz BXKCNMMSIRUKGM-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001266492706 895044288 /nfs/dbraw/zinc/04/42/88/895044288.db2.gz VCWPLUWCFTVWHM-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266545961 895301498 /nfs/dbraw/zinc/30/14/98/895301498.db2.gz RWTFEWLPCCOBPF-ZIAGYGMSSA-N 2 0 267.417 1.197 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266730057 895929418 /nfs/dbraw/zinc/92/94/18/895929418.db2.gz JWJSGVBBQSXFLX-LJISPDSOSA-N 2 0 279.428 1.530 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001267091571 896752246 /nfs/dbraw/zinc/75/22/46/896752246.db2.gz PZVLSYLAXILVHD-JKSUJKDBSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001267199271 897122686 /nfs/dbraw/zinc/12/26/86/897122686.db2.gz KLAOTEGHCWDIRN-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001267217062 897179958 /nfs/dbraw/zinc/17/99/58/897179958.db2.gz WWFBLSRGHYGNCP-ZBFHGGJFSA-N 2 0 295.471 1.975 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001267302271 897526013 /nfs/dbraw/zinc/52/60/13/897526013.db2.gz ODIRYJYTAQEYJP-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001267430067 897900542 /nfs/dbraw/zinc/90/05/42/897900542.db2.gz JWCPHTPYJQOAJM-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C#CCC[N@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001267570364 898421410 /nfs/dbraw/zinc/42/14/10/898421410.db2.gz NMMZBANAVYGJRT-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[N@@H+](CCNC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001481190961 899091686 /nfs/dbraw/zinc/09/16/86/899091686.db2.gz YVKPAQUXGCIESV-UHFFFAOYSA-N 2 0 299.418 1.576 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267791106 899736337 /nfs/dbraw/zinc/73/63/37/899736337.db2.gz RRQBPBQYIJIENQ-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267805814 899776852 /nfs/dbraw/zinc/77/68/52/899776852.db2.gz IVQOOEISOMDCNB-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267827757 899823956 /nfs/dbraw/zinc/82/39/56/899823956.db2.gz XCRMBQPCYBLTRR-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H](F)C[NH+](CC)CC)CCCC1 ZINC001268035607 900690379 /nfs/dbraw/zinc/69/03/79/900690379.db2.gz OBBYQLNGKPZQTL-CQSZACIVSA-N 2 0 297.418 1.318 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001268037569 900703283 /nfs/dbraw/zinc/70/32/83/900703283.db2.gz KNSSIAMZNWUQQR-UHFFFAOYSA-N 2 0 281.444 1.923 10 30 CDEERP C#CC[NH+]1CC[C@H](CCNC(=O)CC[N@@H+](C)CCC)C1 ZINC001481455619 900725918 /nfs/dbraw/zinc/72/59/18/900725918.db2.gz BMJWPVGXHSFQDG-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481526468 901073789 /nfs/dbraw/zinc/07/37/89/901073789.db2.gz FIBBEAONZFFSGR-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001268093105 901226480 /nfs/dbraw/zinc/22/64/80/901226480.db2.gz HNWOHEVNDZHZSR-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001268293451 901770286 /nfs/dbraw/zinc/77/02/86/901770286.db2.gz CJBRNSKGRSWCOH-HOTGVXAUSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001268383825 901966967 /nfs/dbraw/zinc/96/69/67/901966967.db2.gz DXAOEUFVDQZQGV-ZDUSSCGKSA-N 2 0 299.378 1.551 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001567769812 1168960525 /nfs/dbraw/zinc/96/05/25/1168960525.db2.gz SMSGHTLUFUCBAO-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001268427335 902042104 /nfs/dbraw/zinc/04/21/04/902042104.db2.gz WABLLOZXBXJHFC-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001481880475 902257444 /nfs/dbraw/zinc/25/74/44/902257444.db2.gz FLPOWJDAQWHYRM-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001482068353 902603337 /nfs/dbraw/zinc/60/33/37/902603337.db2.gz KGCFGNLUYAKAET-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001268582108 902664810 /nfs/dbraw/zinc/66/48/10/902664810.db2.gz GAKWEDJTJLGGBE-IYKSTZQJSA-N 2 0 277.412 1.004 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001268695592 902976620 /nfs/dbraw/zinc/97/66/20/902976620.db2.gz YOHBFUPLAARBAA-ZDUSSCGKSA-N 2 0 299.378 1.551 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001269039380 903362672 /nfs/dbraw/zinc/36/26/72/903362672.db2.gz VOQIUVBPWPQAFA-SOUVJXGZSA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001269331445 903700774 /nfs/dbraw/zinc/70/07/74/903700774.db2.gz KHHYUCHXENCRFT-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001269403461 903779741 /nfs/dbraw/zinc/77/97/41/903779741.db2.gz WMHSXVFNIQLVMD-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP C#CCC[NH+]1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567842700 1169011226 /nfs/dbraw/zinc/01/12/26/1169011226.db2.gz QLALBMKBLJFECD-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1CC ZINC001483623314 911827532 /nfs/dbraw/zinc/82/75/32/911827532.db2.gz IHCKFJQFNVBEEB-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001484121194 915445654 /nfs/dbraw/zinc/44/56/54/915445654.db2.gz XKJXXUFKPDYIOT-MRXNPFEDSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001484378112 915694121 /nfs/dbraw/zinc/69/41/21/915694121.db2.gz MKPLCBZFQKNIBT-ZBFHGGJFSA-N 2 0 293.455 1.588 10 30 CDEERP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001484466508 915794020 /nfs/dbraw/zinc/79/40/20/915794020.db2.gz UKRLPYGKSNVISL-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001484653652 915995507 /nfs/dbraw/zinc/99/55/07/915995507.db2.gz SVMSYIPKLXKACF-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001484997058 916361982 /nfs/dbraw/zinc/36/19/82/916361982.db2.gz QZKZLIHHGDPHOU-SOUVJXGZSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001485229472 916682784 /nfs/dbraw/zinc/68/27/84/916682784.db2.gz JNDVAKIXHNZXPM-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]2C1 ZINC001485656964 917164484 /nfs/dbraw/zinc/16/44/84/917164484.db2.gz HEKUMASHKWKJOE-XHSDSOJGSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001485792587 917293812 /nfs/dbraw/zinc/29/38/12/917293812.db2.gz LVLMDGYRMXLOAC-LSDHHAIUSA-N 2 0 281.444 1.635 10 30 CDEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001485827206 918944811 /nfs/dbraw/zinc/94/48/11/918944811.db2.gz ONYZRTJBQCIZNE-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001274279113 931487389 /nfs/dbraw/zinc/48/73/89/931487389.db2.gz CZNPBJVTSHXOHW-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001275185437 931692264 /nfs/dbraw/zinc/69/22/64/931692264.db2.gz UYUKFMHQBYIYDU-LBPRGKRZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001275334988 931737432 /nfs/dbraw/zinc/73/74/32/931737432.db2.gz WCZCOTFUHNRUFM-KBPBESRZSA-N 2 0 267.417 1.530 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001275721100 931978491 /nfs/dbraw/zinc/97/84/91/931978491.db2.gz QUAHVPQDQSHBNV-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001277058923 941888187 /nfs/dbraw/zinc/88/81/87/941888187.db2.gz QHYBEIBBLNMGQQ-VGWMRTNUSA-N 2 0 291.439 1.674 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001277092299 941941838 /nfs/dbraw/zinc/94/18/38/941941838.db2.gz AHTOQEWQUIIISW-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001280173463 942421552 /nfs/dbraw/zinc/42/15/52/942421552.db2.gz OTMMDWRJGUYQBY-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001282495830 942723719 /nfs/dbraw/zinc/72/37/19/942723719.db2.gz VZSJNEYMCVPFEO-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001282742064 942748112 /nfs/dbraw/zinc/74/81/12/942748112.db2.gz SKFSCCUARIEPNA-OAHLLOKOSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001284348570 943153269 /nfs/dbraw/zinc/15/32/69/943153269.db2.gz LJWZISWFEDZXAB-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001284616281 943228049 /nfs/dbraw/zinc/22/80/49/943228049.db2.gz BRPQXQYUYRCHJT-KKUMJFAQSA-N 2 0 293.455 1.470 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001332299312 943721796 /nfs/dbraw/zinc/72/17/96/943721796.db2.gz AAAUQXARSNNUJG-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001263872301 944015369 /nfs/dbraw/zinc/01/53/69/944015369.db2.gz HIOKBIZJTNBYKR-KKUMJFAQSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001263919914 944031881 /nfs/dbraw/zinc/03/18/81/944031881.db2.gz LKESAXGHFNRFKW-ZNMIVQPWSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001263927601 944034846 /nfs/dbraw/zinc/03/48/46/944034846.db2.gz KXEAGJIODZRIMX-RRFJBIMHSA-N 2 0 279.428 1.080 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001265358793 944358424 /nfs/dbraw/zinc/35/84/24/944358424.db2.gz QLSHTNZBRTZDBY-HOTGVXAUSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265428888 944383941 /nfs/dbraw/zinc/38/39/41/944383941.db2.gz FFVUQAQGYKJMBN-GJZGRUSLSA-N 2 0 277.412 1.073 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001265812916 944518544 /nfs/dbraw/zinc/51/85/44/944518544.db2.gz GZQKODUIFJWWHS-ILXRZTDVSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001265869753 944549865 /nfs/dbraw/zinc/54/98/65/944549865.db2.gz BCGORFSIYQWUIP-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001279017158 948608461 /nfs/dbraw/zinc/60/84/61/948608461.db2.gz IWGGPMALBOTNEE-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)C1CC1 ZINC001480053556 971554789 /nfs/dbraw/zinc/55/47/89/971554789.db2.gz NPCGRIDAEPMCSF-FZMZJTMJSA-N 2 0 276.384 1.259 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001480062424 971561042 /nfs/dbraw/zinc/56/10/42/971561042.db2.gz BFUNZCLCYNNJBT-HNNXBMFYSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480088482 971572208 /nfs/dbraw/zinc/57/22/08/971572208.db2.gz IXDQZGHWUFMQDZ-GJZGRUSLSA-N 2 0 281.444 1.683 10 30 CDEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001480740549 971855857 /nfs/dbraw/zinc/85/58/57/971855857.db2.gz ZWUPROYXJUCCOX-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001569136615 1169681456 /nfs/dbraw/zinc/68/14/56/1169681456.db2.gz VWXGUUHFWFXYSR-ZIAGYGMSSA-N 2 0 269.433 1.585 10 30 CDEERP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001480829873 971897782 /nfs/dbraw/zinc/89/77/82/971897782.db2.gz GIHDYWCONCBREO-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001324826934 953596184 /nfs/dbraw/zinc/59/61/84/953596184.db2.gz TZOWJEXEXGUCSC-GOEBONIOSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001316642010 953685238 /nfs/dbraw/zinc/68/52/38/953685238.db2.gz PIYUOSIHURFVJH-WKILWMFISA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001316642466 953704686 /nfs/dbraw/zinc/70/46/86/953704686.db2.gz SISGLOFRLSUCMR-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001325552763 953958572 /nfs/dbraw/zinc/95/85/72/953958572.db2.gz FWQNJANQUXUERZ-KGLIPLIRSA-N 2 0 267.417 1.198 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001325597227 953978005 /nfs/dbraw/zinc/97/80/05/953978005.db2.gz CBOSALXAZCCATN-CABCVRRESA-N 2 0 281.444 1.587 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001290875875 954081906 /nfs/dbraw/zinc/08/19/06/954081906.db2.gz RPEVRQAQPWYSQU-MRXNPFEDSA-N 2 0 295.471 1.977 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001326521251 954418219 /nfs/dbraw/zinc/41/82/19/954418219.db2.gz KGOVOIOEFJXAJE-SHTZXODSSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001328278046 955248795 /nfs/dbraw/zinc/24/87/95/955248795.db2.gz GURFNOLYXMGPAG-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001330021636 956237038 /nfs/dbraw/zinc/23/70/38/956237038.db2.gz LGIKYNGHQSTJRG-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001330502896 956455072 /nfs/dbraw/zinc/45/50/72/956455072.db2.gz WEXLUIHUEDHYNA-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC001328279777 956844967 /nfs/dbraw/zinc/84/49/67/956844967.db2.gz PXACPVSBGQPCQT-HUUCEWRRSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001366465836 956853333 /nfs/dbraw/zinc/85/33/33/956853333.db2.gz AQZCFJRNSUHLRN-NWDGAFQWSA-N 2 0 275.824 1.564 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317078681 956951147 /nfs/dbraw/zinc/95/11/47/956951147.db2.gz QCKPXRQQPLMOPQ-KBUPBQIOSA-N 2 0 279.428 1.530 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001316791542 957020944 /nfs/dbraw/zinc/02/09/44/957020944.db2.gz QWIYTJSSKHKNFZ-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001317034230 957218518 /nfs/dbraw/zinc/21/85/18/957218518.db2.gz LPYCVFMJBRTICO-CVEARBPZSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001425378560 957522422 /nfs/dbraw/zinc/52/24/22/957522422.db2.gz LNHMFCBZQYKTMP-ZSOGYDGISA-N 2 0 299.846 1.375 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC(C)C ZINC001317597630 957590780 /nfs/dbraw/zinc/59/07/80/957590780.db2.gz ZBSFNWSWTZPENU-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317802762 957670849 /nfs/dbraw/zinc/67/08/49/957670849.db2.gz ZBMHPXYXNVIAEM-OAHLLOKOSA-N 2 0 293.455 1.426 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001318606617 958197714 /nfs/dbraw/zinc/19/77/14/958197714.db2.gz MEZUYVGOMMKQMT-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001319221886 958440784 /nfs/dbraw/zinc/44/07/84/958440784.db2.gz KIZCAPCSOWRLLG-HNNXBMFYSA-N 2 0 293.455 1.474 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H](C[NH3+])CC(C)C)CCC[NH2+]1 ZINC001333630441 958464973 /nfs/dbraw/zinc/46/49/73/958464973.db2.gz OOZRIVKIXMKSJB-OCCSQVGLSA-N 2 0 253.390 1.174 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001319716259 958699732 /nfs/dbraw/zinc/69/97/32/958699732.db2.gz UPOOGDLOVSDHEB-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001495058026 972391949 /nfs/dbraw/zinc/39/19/49/972391949.db2.gz MAYRGQHNISXHDR-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001495188603 972436012 /nfs/dbraw/zinc/43/60/12/972436012.db2.gz YNMWZWBRVKBRIG-UHFFFAOYSA-N 2 0 267.417 1.533 10 30 CDEERP CC#CC[NH2+]C[C@@](C)(NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001495279568 972463181 /nfs/dbraw/zinc/46/31/81/972463181.db2.gz ZYIAISGTXKWRPY-QGZVFWFLSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001321965396 960035547 /nfs/dbraw/zinc/03/55/47/960035547.db2.gz FUBBHUXVGFCTRT-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001322167878 960118459 /nfs/dbraw/zinc/11/84/59/960118459.db2.gz HLVSPQYILNUEIK-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001322258818 960158360 /nfs/dbraw/zinc/15/83/60/960158360.db2.gz RGPWONFAOGOUSH-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001322678179 960293289 /nfs/dbraw/zinc/29/32/89/960293289.db2.gz MCPCDBSOPZEGHU-UHFFFAOYSA-N 2 0 287.835 1.519 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001323081346 960437259 /nfs/dbraw/zinc/43/72/59/960437259.db2.gz OEOOPAOCQIEUQC-MRXNPFEDSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]C(C)C)C2CC2)CC1 ZINC001323112748 960463197 /nfs/dbraw/zinc/46/31/97/960463197.db2.gz KQRJEFDLHZBZDC-MRXNPFEDSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001420014254 962367934 /nfs/dbraw/zinc/36/79/34/962367934.db2.gz MALXCKFNRGRMMA-QWHCGFSZSA-N 2 0 285.819 1.129 10 30 CDEERP C=CC[C@@]1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC001340943941 963204063 /nfs/dbraw/zinc/20/40/63/963204063.db2.gz WDWJKBAHPCTQNN-FOGDFJRCSA-N 2 0 291.317 1.033 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC001342276368 963696389 /nfs/dbraw/zinc/69/63/89/963696389.db2.gz UGVVSBLHHHYYAQ-KBPBESRZSA-N 2 0 269.433 1.763 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](C)CC[NH+](C)C ZINC001556467077 965046227 /nfs/dbraw/zinc/04/62/27/965046227.db2.gz YOACAKKWBJIMMV-CQSZACIVSA-N 2 0 269.433 1.541 10 30 CDEERP C#CCN(C(=O)[C@@H](C)n1ccnc1)C1CC[NH+](C)CC1 ZINC001351820953 967006156 /nfs/dbraw/zinc/00/61/56/967006156.db2.gz LUFSRDLLCNSOKA-CYBMUJFWSA-N 2 0 274.368 1.000 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001523567951 970734422 /nfs/dbraw/zinc/73/44/22/970734422.db2.gz SJZVLWANEFLMNW-CYBMUJFWSA-N 2 0 269.433 1.716 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001495662332 972584234 /nfs/dbraw/zinc/58/42/34/972584234.db2.gz QULSCSLUXHSGQH-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001495808938 972643339 /nfs/dbraw/zinc/64/33/39/972643339.db2.gz XZTRXCFXLPKRFC-OAHLLOKOSA-N 2 0 279.428 1.228 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001496097567 972793202 /nfs/dbraw/zinc/79/32/02/972793202.db2.gz HXMLCMCPJNVLOA-GFCCVEGCSA-N 2 0 284.363 1.326 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001496625560 972995971 /nfs/dbraw/zinc/99/59/71/972995971.db2.gz AZVSHMMWWMZFKJ-CABCVRRESA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001497988116 973600538 /nfs/dbraw/zinc/60/05/38/973600538.db2.gz UVJZVPKAZFHMLD-HUUCEWRRSA-N 2 0 297.443 1.015 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001498526231 973968445 /nfs/dbraw/zinc/96/84/45/973968445.db2.gz MURJOVVAEWISTK-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001498568910 973983724 /nfs/dbraw/zinc/98/37/24/973983724.db2.gz CYYBCOGWIAYDQO-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001499458956 974258616 /nfs/dbraw/zinc/25/86/16/974258616.db2.gz RQASHUQBQLCFQB-ZDUSSCGKSA-N 2 0 265.401 1.285 10 30 CDEERP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001500520056 974447757 /nfs/dbraw/zinc/44/77/57/974447757.db2.gz XVVQDKCQYHSIED-MRXNPFEDSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001502342555 974721550 /nfs/dbraw/zinc/72/15/50/974721550.db2.gz YVABNAVFNJWNSJ-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001376955300 974828115 /nfs/dbraw/zinc/82/81/15/974828115.db2.gz MDAISOKTXAGXLA-CYBMUJFWSA-N 2 0 285.819 1.273 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376964201 974830872 /nfs/dbraw/zinc/83/08/72/974830872.db2.gz DCPCUBXMXHQAGX-OLZOCXBDSA-N 2 0 287.835 1.708 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001505499800 974896011 /nfs/dbraw/zinc/89/60/11/974896011.db2.gz BYMJATWPRBFNJP-UYSNPLJNSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001505643795 974948213 /nfs/dbraw/zinc/94/82/13/974948213.db2.gz BZRUFBUPEJFCEM-CHWSQXEVSA-N 2 0 299.846 1.850 10 30 CDEERP CC#CC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)CCC)CC1 ZINC001505790116 974988783 /nfs/dbraw/zinc/98/87/83/974988783.db2.gz PQQSEENMNZNFKK-UHFFFAOYSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)Cn1ccnc1C ZINC001505848631 975000515 /nfs/dbraw/zinc/00/05/15/975000515.db2.gz UQXVZWMTLFWZCT-UHFFFAOYSA-N 2 0 290.411 1.289 10 30 CDEERP CC#CC[NH2+]C[C@H](CCCC)NC(=O)C12CC[NH+](CC1)C2 ZINC001506556086 975179369 /nfs/dbraw/zinc/17/93/69/975179369.db2.gz JKSAOVNCQIOHDJ-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001506904575 975254184 /nfs/dbraw/zinc/25/41/84/975254184.db2.gz GXNDSTQBGDOOKA-KBUPBQIOSA-N 2 0 279.428 1.530 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001507090158 975332269 /nfs/dbraw/zinc/33/22/69/975332269.db2.gz PHJJMQJBPNLGJI-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001507350942 975427552 /nfs/dbraw/zinc/42/75/52/975427552.db2.gz QXGALSUZUKOFTM-DZGCQCFKSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001382300464 977240231 /nfs/dbraw/zinc/24/02/31/977240231.db2.gz BTUVGUKGXMPLMM-QWHCGFSZSA-N 2 0 287.835 1.658 10 30 CDEERP C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001570216925 1170113345 /nfs/dbraw/zinc/11/33/45/1170113345.db2.gz QHRLQZNHYZHAQN-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001570363949 1170143156 /nfs/dbraw/zinc/14/31/56/1170143156.db2.gz KRHPZKXCNRJAQW-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001656903022 1171895570 /nfs/dbraw/zinc/89/55/70/1171895570.db2.gz BTHXFMUEGRYWDJ-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436715 342899967 /nfs/dbraw/zinc/89/99/67/342899967.db2.gz FWIUEIDHVPWVEJ-ILXRZTDVSA-N 2 0 294.443 1.634 10 30 CDEERP CCC(CC)(C[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594426878 342904659 /nfs/dbraw/zinc/90/46/59/342904659.db2.gz RKTRAEHLDSSTLN-LLVKDONJSA-N 2 0 254.378 1.031 10 30 CDEERP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C[N@@H+]1C1CC1 ZINC000594438602 342906358 /nfs/dbraw/zinc/90/63/58/342906358.db2.gz KOCUCSPXCWUGHY-DYEKYZERSA-N 2 0 278.400 1.139 10 30 CDEERP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594439638 342906555 /nfs/dbraw/zinc/90/65/55/342906555.db2.gz TUWJICFFSSRSDZ-ZIAGYGMSSA-N 2 0 280.416 1.198 10 30 CDEERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594438903 342906791 /nfs/dbraw/zinc/90/67/91/342906791.db2.gz MTRMSRGWSPHPLJ-LSDHHAIUSA-N 2 0 294.443 1.588 10 30 CDEERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441867 342907720 /nfs/dbraw/zinc/90/77/20/342907720.db2.gz XLPSIKODBBTZBY-ZIAGYGMSSA-N 2 0 280.416 1.388 10 30 CDEERP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]([NH3+])CCCCC#N)C[C@H]1C[NH3+] ZINC000594449561 342909506 /nfs/dbraw/zinc/90/95/06/342909506.db2.gz KIAGZCIKNUYQHZ-RQJABVFESA-N 2 0 280.416 1.229 10 30 CDEERP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600726243 342245191 /nfs/dbraw/zinc/24/51/91/342245191.db2.gz RVKQKVABWOINCI-HNNXBMFYSA-N 2 0 279.428 1.753 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000594457219 342911896 /nfs/dbraw/zinc/91/18/96/342911896.db2.gz WPLCWZJTVLJDLV-KKUMJFAQSA-N 2 0 292.427 1.388 10 30 CDEERP C=CCC[C@H](CO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000641760032 365821507 /nfs/dbraw/zinc/82/15/07/365821507.db2.gz LWVVNYAHQLPETD-CYBMUJFWSA-N 2 0 272.352 1.684 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001661971678 1172472296 /nfs/dbraw/zinc/47/22/96/1172472296.db2.gz CAVAVHBLVGJWHX-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCOCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000339055805 391247187 /nfs/dbraw/zinc/24/71/87/391247187.db2.gz JXSRVYVJMCHETL-SJPCQFCGSA-N 2 0 293.455 1.432 10 30 CDEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001664467252 1172857339 /nfs/dbraw/zinc/85/73/39/1172857339.db2.gz IARNPBBXJUDGHO-HNNXBMFYSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001664667545 1172884037 /nfs/dbraw/zinc/88/40/37/1172884037.db2.gz MNZIRFHWHWFPCL-INIZCTEOSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCCC[NH+]1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001665183865 1172958627 /nfs/dbraw/zinc/95/86/27/1172958627.db2.gz QFGZVETUIACFKN-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCC[NH2+]1 ZINC000662759203 413446798 /nfs/dbraw/zinc/44/67/98/413446798.db2.gz BIDPRXQBTTYYPW-YQQAZPJKSA-N 2 0 291.439 1.675 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@H](CC[NH3+])C2)CCC[NH2+]1 ZINC000662774288 413477733 /nfs/dbraw/zinc/47/77/33/413477733.db2.gz QITGHUZYIZSBSM-UKRRQHHQSA-N 2 0 265.401 1.272 10 30 CDEERP C#CCN1CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000037229339 173049177 /nfs/dbraw/zinc/04/91/77/173049177.db2.gz NUMZJPFKOWMUIC-UHFFFAOYSA-N 2 0 263.429 1.550 10 30 CDEERP C[NH+](C)CC1CC[NH+](Cc2ccc(C#CCO)s2)CC1 ZINC000043679806 175090175 /nfs/dbraw/zinc/09/01/75/175090175.db2.gz VZEPKSPJIWURKM-UHFFFAOYSA-N 2 0 292.448 1.866 10 30 CDEERP CCC[N@H+](CCO)Cc1ccc(C#CC[NH3+])s1 ZINC000043683876 175092212 /nfs/dbraw/zinc/09/22/12/175092212.db2.gz LCJPBJCVCDCZLL-UHFFFAOYSA-N 2 0 252.383 1.263 10 30 CDEERP C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C#CC[NH3+])c1 ZINC000044566229 175208407 /nfs/dbraw/zinc/20/84/07/175208407.db2.gz IBJRHPORFSYFRT-INIZCTEOSA-N 2 0 285.391 1.211 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001666562798 1173151691 /nfs/dbraw/zinc/15/16/91/1173151691.db2.gz BGUQBMSAEZOOLA-CQSZACIVSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001666992267 1173218432 /nfs/dbraw/zinc/21/84/32/1173218432.db2.gz MTAKWUARJHYMPB-HUUCEWRRSA-N 2 0 281.444 1.567 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001669966886 1173637487 /nfs/dbraw/zinc/63/74/87/1173637487.db2.gz DXCTWTCUANVGHY-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001673929722 1173899563 /nfs/dbraw/zinc/89/95/63/1173899563.db2.gz WIQCMDHMHFWTSI-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000171721731 329079128 /nfs/dbraw/zinc/07/91/28/329079128.db2.gz GKXHDBOXVQQKHB-HNNXBMFYSA-N 2 0 294.443 1.420 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001691441649 1159221798 /nfs/dbraw/zinc/22/17/98/1159221798.db2.gz UGWHNWNQAZXVPD-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[N@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267320424 1159264755 /nfs/dbraw/zinc/26/47/55/1159264755.db2.gz JNELSWOQIIUGRH-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001731807135 1159345283 /nfs/dbraw/zinc/34/52/83/1159345283.db2.gz NKPSMCMMCXRADM-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001698825576 1175951742 /nfs/dbraw/zinc/95/17/42/1175951742.db2.gz SYPFJDMMICJPHE-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267667239 1159562816 /nfs/dbraw/zinc/56/28/16/1159562816.db2.gz QJOHHYMIXVWKPF-KGLIPLIRSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CCC[NH2+]1 ZINC000662804027 482430465 /nfs/dbraw/zinc/43/04/65/482430465.db2.gz NVZNMOFNDCAYCQ-YQQAZPJKSA-N 2 0 291.439 1.627 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001733336175 1161238142 /nfs/dbraw/zinc/23/81/42/1161238142.db2.gz RIFILJVAFQNXMO-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP COC1CC[NH+](Cc2ccccc2C#CC[NH3+])CC1 ZINC000049609080 522704475 /nfs/dbraw/zinc/70/44/75/522704475.db2.gz XIVZMXGHYZICGD-UHFFFAOYSA-N 2 0 258.365 1.608 10 30 CDEERP C[N@H+](Cc1ccccc1C#CC[NH3+])[C@@H]1CCSC1 ZINC000049608995 523360837 /nfs/dbraw/zinc/36/08/37/523360837.db2.gz IBWAEJAZTVJTPZ-OAHLLOKOSA-N 2 0 260.406 1.934 10 30 CDEERP C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000049561933 524472240 /nfs/dbraw/zinc/47/22/40/524472240.db2.gz IJUAFXNINNGCOE-NSHDSACASA-N 2 0 279.409 1.128 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000764588413 575923565 /nfs/dbraw/zinc/92/35/65/575923565.db2.gz WFQYVFHMDTZKJR-CABCVRRESA-N 2 0 279.428 1.578 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001690296312 1175431035 /nfs/dbraw/zinc/43/10/35/1175431035.db2.gz NWLJIVUUCIDRAA-KBUPBQIOSA-N 2 0 281.444 1.918 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939063796 613351151 /nfs/dbraw/zinc/35/11/51/613351151.db2.gz MBKLIGJLLTXVNC-ZFWWWQNUSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC1([NH2+]CC2CC[NH+](C)CC2)CCOCC1 ZINC000896070449 619971514 /nfs/dbraw/zinc/97/15/14/619971514.db2.gz VUKPOEFNOWIMLK-UHFFFAOYSA-N 2 0 250.386 1.490 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000907608226 627726865 /nfs/dbraw/zinc/72/68/65/627726865.db2.gz CRNYORFIXQWQKQ-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000908422695 628191451 /nfs/dbraw/zinc/19/14/51/628191451.db2.gz IJEOPAGYULMCQB-MRXNPFEDSA-N 2 0 279.428 1.439 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000912764517 630195322 /nfs/dbraw/zinc/19/53/22/630195322.db2.gz AEVKJFQRJQPPOD-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C[NH+](C)CC#CCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000913523658 630515508 /nfs/dbraw/zinc/51/55/08/630515508.db2.gz HQYCOHDQBVYVDO-UHFFFAOYSA-N 2 0 298.390 1.586 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000917136339 632159383 /nfs/dbraw/zinc/15/93/83/632159383.db2.gz AJTMCWSCRQZFAI-OCCSQVGLSA-N 2 0 280.416 1.029 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001690991226 1158516950 /nfs/dbraw/zinc/51/69/50/1158516950.db2.gz SFKJFWNJAWRENM-INIZCTEOSA-N 2 0 279.428 1.487 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001691043740 1158691430 /nfs/dbraw/zinc/69/14/30/1158691430.db2.gz WTOHTCDFERHYMZ-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001691395597 1159048659 /nfs/dbraw/zinc/04/86/59/1159048659.db2.gz LKVKBSVZCCWEIW-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001267135338 1159132898 /nfs/dbraw/zinc/13/28/98/1159132898.db2.gz OFFUKIODBOCEER-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001618117612 1165620867 /nfs/dbraw/zinc/62/08/67/1165620867.db2.gz VWQNBQBXEFHZGW-CQSZACIVSA-N 2 0 265.401 1.049 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001567141064 1168594044 /nfs/dbraw/zinc/59/40/44/1168594044.db2.gz UQZPOWHJFXWLLB-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001567146817 1168597646 /nfs/dbraw/zinc/59/76/46/1168597646.db2.gz JNVFTABUQPNHCH-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001567281786 1168658234 /nfs/dbraw/zinc/65/82/34/1168658234.db2.gz GDHARHAAODWTTA-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001569303433 1169756035 /nfs/dbraw/zinc/75/60/35/1169756035.db2.gz OOVKVUDZWQCOIX-HNNXBMFYSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)CC[NH+]1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001569492671 1169898384 /nfs/dbraw/zinc/89/83/84/1169898384.db2.gz GYSYEQZJHZZIMO-OAHLLOKOSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001570374671 1170147202 /nfs/dbraw/zinc/14/72/02/1170147202.db2.gz WGLVZLRMBWGTCV-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001570472114 1170167127 /nfs/dbraw/zinc/16/71/27/1170167127.db2.gz UGGZBRVKVUCCLJ-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001570564154 1170191356 /nfs/dbraw/zinc/19/13/56/1170191356.db2.gz ONJRXCHSOUFOFL-GPANFISMSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001571543293 1170471151 /nfs/dbraw/zinc/47/11/51/1170471151.db2.gz ZUXBLBHNQRQLJE-GOEBONIOSA-N 2 0 291.439 1.226 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001571638926 1170500988 /nfs/dbraw/zinc/50/09/88/1170500988.db2.gz BKGFSERGIBAXOB-CQSZACIVSA-N 2 0 281.444 1.470 10 30 CDEERP C=CC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)CCC ZINC001656106421 1171768533 /nfs/dbraw/zinc/76/85/33/1171768533.db2.gz ZSVSGUZCSJHARL-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001662649073 1172575073 /nfs/dbraw/zinc/57/50/73/1172575073.db2.gz DQLOKAJYJSKJMX-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001664829366 1172917059 /nfs/dbraw/zinc/91/70/59/1172917059.db2.gz BNNVPBBIFSINGB-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001665432433 1172995275 /nfs/dbraw/zinc/99/52/75/1172995275.db2.gz ANBMVWAWBRNELC-HOTGVXAUSA-N 2 0 291.439 1.724 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001669092026 1173504694 /nfs/dbraw/zinc/50/46/94/1173504694.db2.gz SVDCKBJNYSYEOX-SREVYHEPSA-N 2 0 299.418 1.647 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001671390707 1173680330 /nfs/dbraw/zinc/68/03/30/1173680330.db2.gz RRMDTJCMMLJBRO-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001675055252 1174071574 /nfs/dbraw/zinc/07/15/74/1174071574.db2.gz ZZWXGWKOHSSZDR-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001676179932 1174187157 /nfs/dbraw/zinc/18/71/57/1174187157.db2.gz CVTZQALENPWBFX-OAHLLOKOSA-N 2 0 281.444 1.470 10 30 CDEERP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676273101 1174199456 /nfs/dbraw/zinc/19/94/56/1174199456.db2.gz IFQNIJPNOIVRML-HZPDHXFCSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC001677032606 1174309633 /nfs/dbraw/zinc/30/96/33/1174309633.db2.gz HHSMZCHEEBJEIY-KGLIPLIRSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001690464044 1175477497 /nfs/dbraw/zinc/47/74/97/1175477497.db2.gz KXSREZRLUDRTGH-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001690849504 1175591269 /nfs/dbraw/zinc/59/12/69/1175591269.db2.gz DLMIHKIKZBDLLI-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001690866905 1175594495 /nfs/dbraw/zinc/59/44/95/1175594495.db2.gz FFOAVWPPYFCPGU-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001698551555 1175835240 /nfs/dbraw/zinc/83/52/40/1175835240.db2.gz DOHNTWNRXZLLOP-CABCVRRESA-N 2 0 299.434 1.823 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001698619255 1175874735 /nfs/dbraw/zinc/87/47/35/1175874735.db2.gz MEBBIWXOOBGKQV-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001698620646 1175874842 /nfs/dbraw/zinc/87/48/42/1175874842.db2.gz HHTSKXLYTNACHY-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001698712954 1175901295 /nfs/dbraw/zinc/90/12/95/1175901295.db2.gz IAEQJILJUBKLPF-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001698878963 1175975921 /nfs/dbraw/zinc/97/59/21/1175975921.db2.gz LIIYTAQOZLCDRJ-JKSUJKDBSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001698880675 1175976131 /nfs/dbraw/zinc/97/61/31/1175976131.db2.gz VXIHGICXPLIIDJ-ZIAGYGMSSA-N 2 0 267.417 1.080 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001699346128 1176276065 /nfs/dbraw/zinc/27/60/65/1176276065.db2.gz TYOGLEOBBPMLMJ-QAMKJQMISA-N 2 0 265.401 1.307 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699416657 1176383031 /nfs/dbraw/zinc/38/30/31/1176383031.db2.gz YFZWGCWTNZUOHQ-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001699750655 1176605721 /nfs/dbraw/zinc/60/57/21/1176605721.db2.gz MZAUMGMZPWGSIG-HUUCEWRRSA-N 2 0 279.428 1.626 10 30 CDEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001699836480 1176650209 /nfs/dbraw/zinc/65/02/09/1176650209.db2.gz IZMICJIGJNPSEO-INMHGKMJSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001699847830 1176653694 /nfs/dbraw/zinc/65/36/94/1176653694.db2.gz OEFAREFCYPFFFX-KRWDZBQOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001700015529 1176718762 /nfs/dbraw/zinc/71/87/62/1176718762.db2.gz DPFXIKIVALURMB-CABCVRRESA-N 2 0 277.412 1.027 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001700187143 1176791578 /nfs/dbraw/zinc/79/15/78/1176791578.db2.gz JTHWAJFQFPJITA-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)C1([NH+](C)C)CCC1 ZINC001700519321 1176993777 /nfs/dbraw/zinc/99/37/77/1176993777.db2.gz PZOOZWOOJLIGCT-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001713003744 1178296207 /nfs/dbraw/zinc/29/62/07/1178296207.db2.gz LHJXHQUMAACANQ-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001713172787 1178412741 /nfs/dbraw/zinc/41/27/41/1178412741.db2.gz GGGLWUMRZZNXDO-VGWMRTNUSA-N 2 0 293.455 1.920 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001713343811 1178511260 /nfs/dbraw/zinc/51/12/60/1178511260.db2.gz BMGFJXHYDZICOP-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713379952 1178529790 /nfs/dbraw/zinc/52/97/90/1178529790.db2.gz YBWWQLZDAHHJLU-GJZGRUSLSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001713872469 1178806614 /nfs/dbraw/zinc/80/66/14/1178806614.db2.gz QAVDCJGANPIKBB-OAHLLOKOSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001714049061 1178947044 /nfs/dbraw/zinc/94/70/44/1178947044.db2.gz GPFPRHHOOPHWLB-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001714067128 1178957277 /nfs/dbraw/zinc/95/72/77/1178957277.db2.gz OMZGABWVUDFSAP-RBSFLKMASA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001714328556 1179086967 /nfs/dbraw/zinc/08/69/67/1179086967.db2.gz GQDXFSDJHBPVQW-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001714385753 1179116952 /nfs/dbraw/zinc/11/69/52/1179116952.db2.gz QZGNHHVDUUSNAI-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001714614134 1179268255 /nfs/dbraw/zinc/26/82/55/1179268255.db2.gz IPCIIPSQLISWBF-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714635664 1179286437 /nfs/dbraw/zinc/28/64/37/1179286437.db2.gz PERBLTXVBYLTRO-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001714816869 1179410190 /nfs/dbraw/zinc/41/01/90/1179410190.db2.gz RUCZFGJPQZXYJK-HIFRSBDPSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001714901957 1179445811 /nfs/dbraw/zinc/44/58/11/1179445811.db2.gz CAHQQJRICLLMDD-INIZCTEOSA-N 2 0 293.455 1.522 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001714933486 1179462291 /nfs/dbraw/zinc/46/22/91/1179462291.db2.gz NQOVGIXXETWAMN-AWEZNQCLSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001714971514 1179485490 /nfs/dbraw/zinc/48/54/90/1179485490.db2.gz HAAAJMWAXRULIT-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001715469622 1179675057 /nfs/dbraw/zinc/67/50/57/1179675057.db2.gz FXEMKSYPOLAXQT-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001715476768 1179676543 /nfs/dbraw/zinc/67/65/43/1179676543.db2.gz QPXVXORTXOXROB-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001716007245 1179979826 /nfs/dbraw/zinc/97/98/26/1179979826.db2.gz NCTFEVUMUCXCSQ-HNNXBMFYSA-N 2 0 279.428 1.370 10 30 CDEERP C=CCC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@H]21 ZINC001716051055 1180022686 /nfs/dbraw/zinc/02/26/86/1180022686.db2.gz LRJIPPHZJPCLFV-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716295178 1180145863 /nfs/dbraw/zinc/14/58/63/1180145863.db2.gz KDJNCDMOFBIURV-QDLOVBKTSA-N 2 0 291.439 1.556 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716294444 1180146476 /nfs/dbraw/zinc/14/64/76/1180146476.db2.gz WSHUJRHKKFTNRK-BQYQJAHWSA-N 2 0 291.439 1.536 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001717282835 1180602703 /nfs/dbraw/zinc/60/27/03/1180602703.db2.gz FGVFTZRTIUAGBY-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001717514462 1180719713 /nfs/dbraw/zinc/71/97/13/1180719713.db2.gz QSQBJPGRSOOZEX-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001717802836 1180863564 /nfs/dbraw/zinc/86/35/64/1180863564.db2.gz YBVSZTLENTWFSN-UONOGXRCSA-N 2 0 277.412 1.237 10 30 CDEERP C#CC[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001717840871 1180889219 /nfs/dbraw/zinc/88/92/19/1180889219.db2.gz MHRZYXOUGDHHGY-GDBMZVCRSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001717862047 1180900918 /nfs/dbraw/zinc/90/09/18/1180900918.db2.gz DZMQHDSEVLHSAH-CABCVRRESA-N 2 0 279.428 1.319 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001717880838 1180910713 /nfs/dbraw/zinc/91/07/13/1180910713.db2.gz IWWUCEHSDWZTDV-JKSUJKDBSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CCc1cncn1C ZINC001723972573 1181627136 /nfs/dbraw/zinc/62/71/36/1181627136.db2.gz YYYBVKFDPOXNSJ-OAHLLOKOSA-N 2 0 290.411 1.509 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001724551322 1181694050 /nfs/dbraw/zinc/69/40/50/1181694050.db2.gz AKDRPINIMSMCPR-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001724551323 1181694059 /nfs/dbraw/zinc/69/40/59/1181694059.db2.gz AKDRPINIMSMCPR-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001724754085 1181739368 /nfs/dbraw/zinc/73/93/68/1181739368.db2.gz GJYRSSNMGULKOH-SHTZXODSSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001725229079 1181928285 /nfs/dbraw/zinc/92/82/85/1181928285.db2.gz KMGPBTRTZDXDJR-UHFFFAOYSA-N 2 0 289.423 1.124 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001725364698 1181974932 /nfs/dbraw/zinc/97/49/32/1181974932.db2.gz XRRDZSNIYNIRQN-CTYIDZIISA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725384050 1181983050 /nfs/dbraw/zinc/98/30/50/1181983050.db2.gz DDBVFAUPPDTFKL-ZBFHGGJFSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+][C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001725445948 1182003715 /nfs/dbraw/zinc/00/37/15/1182003715.db2.gz KFNFUGPAKYTGNQ-JKSUJKDBSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001731317022 1182314158 /nfs/dbraw/zinc/31/41/58/1182314158.db2.gz YPWNPENPBGAZJO-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001731543467 1182443008 /nfs/dbraw/zinc/44/30/08/1182443008.db2.gz RZZJDIKQQIYFDL-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001732101149 1182768581 /nfs/dbraw/zinc/76/85/81/1182768581.db2.gz JXYMIXLHFNWFQL-UMVBOHGHSA-N 2 0 279.428 1.482 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001732174187 1182831528 /nfs/dbraw/zinc/83/15/28/1182831528.db2.gz VORSZYYERYYDGW-LSDHHAIUSA-N 2 0 279.428 1.273 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001732564398 1183012042 /nfs/dbraw/zinc/01/20/42/1183012042.db2.gz HLXGCLNWSBCTBZ-HNNXBMFYSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001732631729 1183056855 /nfs/dbraw/zinc/05/68/55/1183056855.db2.gz WGOFEMBNXSMLQP-CVEARBPZSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001733413420 1183425910 /nfs/dbraw/zinc/42/59/10/1183425910.db2.gz RNYSXBCPGDDQNN-WBVHZDCISA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001733413009 1183425998 /nfs/dbraw/zinc/42/59/98/1183425998.db2.gz SWAXFDDOSVBENQ-INIZCTEOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001733723061 1183509199 /nfs/dbraw/zinc/50/91/99/1183509199.db2.gz RGPZQLGIXIWFTL-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001734398260 1183763071 /nfs/dbraw/zinc/76/30/71/1183763071.db2.gz AAWBHGJGKQFBKB-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001734421507 1183773793 /nfs/dbraw/zinc/77/37/93/1183773793.db2.gz GYVNIFJDQNLPPU-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cl)cn1 ZINC000305778622 782431286 /nfs/dbraw/zinc/43/12/86/782431286.db2.gz QWYUOIVVPZMEQZ-CYBMUJFWSA-N 2 0 295.818 1.624 10 30 CDEERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1coc(C#N)c1 ZINC000869236943 783124245 /nfs/dbraw/zinc/12/42/45/783124245.db2.gz NDJOYMNEJAJDDP-LBPRGKRZSA-N 2 0 292.383 1.153 10 30 CDEERP C=CCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923504232 783128402 /nfs/dbraw/zinc/12/84/02/783128402.db2.gz VMADBJCXANEHHD-LSDHHAIUSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000876922468 780275376 /nfs/dbraw/zinc/27/53/76/780275376.db2.gz AKWZHJWPERFNMX-OLZOCXBDSA-N 2 0 299.846 1.693 10 30 CDEERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(C#N)c1 ZINC000925813768 781026841 /nfs/dbraw/zinc/02/68/41/781026841.db2.gz YJRMRYGJQYLTMX-ZDUSSCGKSA-N 2 0 272.396 1.632 10 30 CDEERP C#CCOc1ccc([C@H](C)[NH2+]CCOCC[NH2+]C)cc1 ZINC000863542112 781057627 /nfs/dbraw/zinc/05/76/27/781057627.db2.gz FWKRRTULVZXJBB-AWEZNQCLSA-N 2 0 276.380 1.585 10 30 CDEERP C=CCN1CC[C@H]([N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866709383 781076625 /nfs/dbraw/zinc/07/66/25/781076625.db2.gz XACQRUCUWFQTKA-BBRMVZONSA-N 2 0 279.428 1.470 10 30 CDEERP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000303864744 781095848 /nfs/dbraw/zinc/09/58/48/781095848.db2.gz BEFQVWVSHFAMIR-CYBMUJFWSA-N 2 0 266.433 1.955 10 30 CDEERP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000836215698 781117301 /nfs/dbraw/zinc/11/73/01/781117301.db2.gz DOYGHXRACMMQAD-OAHLLOKOSA-N 2 0 294.443 1.115 10 30 CDEERP CC(C)CCNC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000303902967 781159095 /nfs/dbraw/zinc/15/90/95/781159095.db2.gz UIWRADQXEJQECG-UHFFFAOYSA-N 2 0 270.421 1.049 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000876717867 783315218 /nfs/dbraw/zinc/31/52/18/783315218.db2.gz LEYPCIZLVSNIPK-ZDUSSCGKSA-N 2 0 285.819 1.543 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001571408677 1167594997 /nfs/dbraw/zinc/59/49/97/1167594997.db2.gz WHDSDHXBLSJJHZ-HZPDHXFCSA-N 2 0 293.455 1.709 10 30 CDEERP C=CCCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001566516138 1168318151 /nfs/dbraw/zinc/31/81/51/1168318151.db2.gz AIOYLLOCUCTLGC-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001566516719 1168318887 /nfs/dbraw/zinc/31/88/87/1168318887.db2.gz VUSNEVFEZUGVRP-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001566566584 1168339370 /nfs/dbraw/zinc/33/93/70/1168339370.db2.gz GFBQMTGIAWIIIV-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001566814026 1168432268 /nfs/dbraw/zinc/43/22/68/1168432268.db2.gz VQCHOYJWPBJLNB-BIQWYFBQSA-N 2 0 277.412 1.119 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001566809179 1168430753 /nfs/dbraw/zinc/43/07/53/1168430753.db2.gz KLULXPBMYCOQGC-VGWMRTNUSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566871614 1168454194 /nfs/dbraw/zinc/45/41/94/1168454194.db2.gz HEWRKYKLCDXEIS-HOTGVXAUSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001483734569 913260500 /nfs/dbraw/zinc/26/05/00/913260500.db2.gz CVYOFMXJQKWRJF-HNNXBMFYSA-N 2 0 291.439 1.533 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001272563569 913448569 /nfs/dbraw/zinc/44/85/69/913448569.db2.gz CGMCTYHCDCMUSB-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001266881243 896272005 /nfs/dbraw/zinc/27/20/05/896272005.db2.gz UGIPQDHNXGLHSE-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267024973 896588133 /nfs/dbraw/zinc/58/81/33/896588133.db2.gz BOGFIVTYULJYFR-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001267044417 896627542 /nfs/dbraw/zinc/62/75/42/896627542.db2.gz RBEWTEDIJGEOOK-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001279587903 896947545 /nfs/dbraw/zinc/94/75/45/896947545.db2.gz OTSSJFOPXBPRRI-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267531523 898263946 /nfs/dbraw/zinc/26/39/46/898263946.db2.gz SVUQTDALIQVPKO-GDBMZVCRSA-N 2 0 291.439 1.342 10 30 CDEERP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001481071244 898729439 /nfs/dbraw/zinc/72/94/39/898729439.db2.gz OWUKMAPYJYONGC-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C#CCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001176879783 914330847 /nfs/dbraw/zinc/33/08/47/914330847.db2.gz OTROJKQWRDNJAT-UHFFFAOYSA-N 2 0 250.386 1.323 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267729176 899420087 /nfs/dbraw/zinc/42/00/87/899420087.db2.gz XVHXHAVDYFLTKL-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268004829 900258054 /nfs/dbraw/zinc/25/80/54/900258054.db2.gz IHKLKGBKGCBYLR-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268004830 900258204 /nfs/dbraw/zinc/25/82/04/900258204.db2.gz IHKLKGBKGCBYLR-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001481438197 900666830 /nfs/dbraw/zinc/66/68/30/900666830.db2.gz MEUSOLACTPLNRY-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481493561 900917146 /nfs/dbraw/zinc/91/71/46/900917146.db2.gz BNJLLAQWHZOBQK-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481536918 901105549 /nfs/dbraw/zinc/10/55/49/901105549.db2.gz VPGJSMUXPPHUIC-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001268136949 901381342 /nfs/dbraw/zinc/38/13/42/901381342.db2.gz XFHRVJHTFKOPOL-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001268218547 901592046 /nfs/dbraw/zinc/59/20/46/901592046.db2.gz JHQKNNCBAWXKJC-HZPDHXFCSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268522649 902501216 /nfs/dbraw/zinc/50/12/16/902501216.db2.gz MLANCYPFIPSETG-MFHOCJEASA-N 2 0 279.428 1.697 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001482057444 902570717 /nfs/dbraw/zinc/57/07/17/902570717.db2.gz FYOXGKIBVNYTOD-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001270050249 904307215 /nfs/dbraw/zinc/30/72/15/904307215.db2.gz KMJNGZZWWTXIMU-RBSFLKMASA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001270745264 905009073 /nfs/dbraw/zinc/00/90/73/905009073.db2.gz XUDBLFIIEXXYGN-WBVHZDCISA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001271711415 906613121 /nfs/dbraw/zinc/61/31/21/906613121.db2.gz HINZDPCKIPQKGV-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001482607305 907877958 /nfs/dbraw/zinc/87/79/58/907877958.db2.gz BPEUVQLMPDWOII-UHFFFAOYSA-N 2 0 293.455 1.663 10 30 CDEERP C=CCC[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482891177 908470255 /nfs/dbraw/zinc/47/02/55/908470255.db2.gz LGUZJIFXHCDUPP-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483158149 909880012 /nfs/dbraw/zinc/88/00/12/909880012.db2.gz GQFQTMAIAKDYDJ-ZBFHGGJFSA-N 2 0 291.439 1.511 10 30 CDEERP CCC[NH+]1CCC(CNC(=[NH2+])NCCCOCC)CC1 ZINC000303887514 935047716 /nfs/dbraw/zinc/04/77/16/935047716.db2.gz OLEIQRIYVJIRLO-UHFFFAOYSA-N 2 0 284.448 1.439 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001568246412 1169195563 /nfs/dbraw/zinc/19/55/63/1169195563.db2.gz IVILAPNTRHUTLA-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001568281205 1169222640 /nfs/dbraw/zinc/22/26/40/1169222640.db2.gz LGJISIKSUSBHDG-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486084382 920684342 /nfs/dbraw/zinc/68/43/42/920684342.db2.gz JQPQBYOJWAERJC-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001486087692 920688052 /nfs/dbraw/zinc/68/80/52/920688052.db2.gz ARASSUNCPUJZQS-ZIAGYGMSSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001486122397 920731474 /nfs/dbraw/zinc/73/14/74/920731474.db2.gz QWRCQVRERFCMKS-NEPJUHHUSA-N 2 0 273.808 1.270 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001486133536 920738075 /nfs/dbraw/zinc/73/80/75/920738075.db2.gz DIGLIFBVABYXLV-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001491171561 936868433 /nfs/dbraw/zinc/86/84/33/936868433.db2.gz ZIZZGWQFKOEGIT-HZPDHXFCSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001490660632 927290529 /nfs/dbraw/zinc/29/05/29/927290529.db2.gz HGLIRFMHMYXXGQ-HZPDHXFCSA-N 2 0 293.455 1.920 10 30 CDEERP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001493108361 930436668 /nfs/dbraw/zinc/43/66/68/930436668.db2.gz PZQRQZDPCIUDGW-GJZGRUSLSA-N 2 0 297.418 1.270 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001274392863 931496704 /nfs/dbraw/zinc/49/67/04/931496704.db2.gz CBQUCUPLCDUZNC-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC001275648299 931927859 /nfs/dbraw/zinc/92/78/59/931927859.db2.gz IODTUEMLTGSRGY-GJZGRUSLSA-N 2 0 281.444 1.567 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275828130 932073113 /nfs/dbraw/zinc/07/31/13/932073113.db2.gz SYAGCGJYMVCMNU-HNNXBMFYSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001276034233 932254082 /nfs/dbraw/zinc/25/40/82/932254082.db2.gz KIYNUUQGSPZMRI-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001276147782 932566967 /nfs/dbraw/zinc/56/69/67/932566967.db2.gz TWMVBXLARSXUSX-HZPDHXFCSA-N 2 0 295.471 1.669 10 30 CDEERP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1C#N ZINC000925615475 932915346 /nfs/dbraw/zinc/91/53/46/932915346.db2.gz HDNUPGUIAXLATA-HUUCEWRRSA-N 2 0 271.364 1.926 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000928830489 933181561 /nfs/dbraw/zinc/18/15/61/933181561.db2.gz HOMUVBTWUVXRBD-HNNXBMFYSA-N 2 0 290.411 1.308 10 30 CDEERP C[C@H]1CNC(NN=C2CC[N@H+](Cc3ccccc3)C[C@@H]2C)=[NH+]1 ZINC000779802568 934715095 /nfs/dbraw/zinc/71/50/95/934715095.db2.gz ITWQIZRNGLPIJB-KBPBESRZSA-N 2 0 299.422 1.822 10 30 CDEERP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001329515857 940185459 /nfs/dbraw/zinc/18/54/59/940185459.db2.gz PADBFONJLBBIHJ-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001329622697 940698010 /nfs/dbraw/zinc/69/80/10/940698010.db2.gz FJTAGYGTAXOIPZ-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001276718012 940860140 /nfs/dbraw/zinc/86/01/40/940860140.db2.gz RUMPYVVDHNHQCZ-JONQDZQNSA-N 2 0 293.455 1.587 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H](CC)[NH+](C)C ZINC001568775529 1169471197 /nfs/dbraw/zinc/47/11/97/1169471197.db2.gz AXHXXXWVUDAMSJ-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001280218326 942424714 /nfs/dbraw/zinc/42/47/14/942424714.db2.gz BRRGHZVMZGGBOT-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001280440662 942443400 /nfs/dbraw/zinc/44/34/00/942443400.db2.gz FCIJBJYHVLGTTC-HZPDHXFCSA-N 2 0 291.439 1.463 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001280855460 942496941 /nfs/dbraw/zinc/49/69/41/942496941.db2.gz BFDGZUYQRRMFNC-UHFFFAOYSA-N 2 0 295.471 1.768 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001282425916 942710495 /nfs/dbraw/zinc/71/04/95/942710495.db2.gz SHHKXCQBLHOFLM-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001282740305 942747311 /nfs/dbraw/zinc/74/73/11/942747311.db2.gz YYWGQIUNMDMRLU-TZMCWYRMSA-N 2 0 267.417 1.339 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001284097429 943076839 /nfs/dbraw/zinc/07/68/39/943076839.db2.gz RBPWSOGENXBZLE-BZUAXINKSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[N@H+]1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001284976552 943306623 /nfs/dbraw/zinc/30/66/23/943306623.db2.gz JHFWBMGBADPZHW-UHFFFAOYSA-N 2 0 291.439 1.490 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001264157442 944091382 /nfs/dbraw/zinc/09/13/82/944091382.db2.gz GVYFCILCYHQYGG-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001265310698 944336902 /nfs/dbraw/zinc/33/69/02/944336902.db2.gz TWXQSUWSAQTFCD-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001265590558 944440634 /nfs/dbraw/zinc/44/06/34/944440634.db2.gz CHXOQZUBPGORDB-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001278024474 944612425 /nfs/dbraw/zinc/61/24/25/944612425.db2.gz FJNMDZROWPKCLW-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266029448 944642717 /nfs/dbraw/zinc/64/27/17/944642717.db2.gz QSACELYTGKXQED-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001266112297 944687409 /nfs/dbraw/zinc/68/74/09/944687409.db2.gz KPYDFONALCXRQO-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001479338631 971301444 /nfs/dbraw/zinc/30/14/44/971301444.db2.gz YNRJFKXALYYBFH-GASCZTMLSA-N 2 0 291.439 1.533 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001278410687 947757802 /nfs/dbraw/zinc/75/78/02/947757802.db2.gz PFAIWJQWYKWFDQ-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001480672487 971834049 /nfs/dbraw/zinc/83/40/49/971834049.db2.gz LHFSOWGIENOSKH-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001324735341 953552223 /nfs/dbraw/zinc/55/22/23/953552223.db2.gz FYEAYMQAXZRSKV-HOCLYGCPSA-N 2 0 299.434 1.681 10 30 CDEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001325689277 954026581 /nfs/dbraw/zinc/02/65/81/954026581.db2.gz IFJDOQSHGASGKA-QGZVFWFLSA-N 2 0 299.418 1.332 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001491622884 955321362 /nfs/dbraw/zinc/32/13/62/955321362.db2.gz IYJZYKIPZKJGDT-AWEZNQCLSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001492084982 955646024 /nfs/dbraw/zinc/64/60/24/955646024.db2.gz HLOOIXLTXQLJAH-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001329242916 955772758 /nfs/dbraw/zinc/77/27/58/955772758.db2.gz GHEOIEXFVQOVFM-GPANFISMSA-N 2 0 293.455 1.709 10 30 CDEERP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001329278899 955793185 /nfs/dbraw/zinc/79/31/85/955793185.db2.gz SFFLWYHYPIPBRP-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001493998117 972157775 /nfs/dbraw/zinc/15/77/75/972157775.db2.gz UFLUCZQHRUBJOO-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CC(=C)C)CC1 ZINC001317414774 956268438 /nfs/dbraw/zinc/26/84/38/956268438.db2.gz DDYMCCOLYUIXNM-OAHLLOKOSA-N 2 0 291.439 1.392 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480680853 956503509 /nfs/dbraw/zinc/50/35/09/956503509.db2.gz QIBWOKDHCHCSMB-HZPDHXFCSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[N@@H+](C)C1CCN(C(=O)Cn2cncc2C)CC1 ZINC001331045201 956786011 /nfs/dbraw/zinc/78/60/11/956786011.db2.gz OLAMITDDHCMEQR-UHFFFAOYSA-N 2 0 288.395 1.138 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001316903830 957111318 /nfs/dbraw/zinc/11/13/18/957111318.db2.gz RGJTYDCMMIQCTF-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317194291 957336527 /nfs/dbraw/zinc/33/65/27/957336527.db2.gz WYZXCFPZGGEICF-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001317204733 957340046 /nfs/dbraw/zinc/34/00/46/957340046.db2.gz CYRGYQYCKIKBBR-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001317489375 957509297 /nfs/dbraw/zinc/50/92/97/957509297.db2.gz CZQZODUDFVMSKG-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001317546876 957541745 /nfs/dbraw/zinc/54/17/45/957541745.db2.gz IHNNZNJMHIGNJU-CQSZACIVSA-N 2 0 267.417 1.178 10 30 CDEERP C=CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001317559247 957555104 /nfs/dbraw/zinc/55/51/04/957555104.db2.gz VBZPWELACLSSNM-UHFFFAOYSA-N 2 0 277.412 1.239 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001317679051 957635564 /nfs/dbraw/zinc/63/55/64/957635564.db2.gz VFEPOVLDOZGMPJ-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001317679661 957636500 /nfs/dbraw/zinc/63/65/00/957636500.db2.gz YEZKTNIMZZBLMB-GOEBONIOSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001318446635 958108060 /nfs/dbraw/zinc/10/80/60/958108060.db2.gz WOSWMFLJWXRFNY-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001318547022 958166887 /nfs/dbraw/zinc/16/68/87/958166887.db2.gz BWNHJWYMNHIQGH-ZDUSSCGKSA-N 2 0 299.378 1.551 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494864884 972326671 /nfs/dbraw/zinc/32/66/71/972326671.db2.gz VYVWDSFPMALNSU-CABCVRRESA-N 2 0 281.444 1.681 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)CC[NH+]1CCCCC1 ZINC001318608873 958196541 /nfs/dbraw/zinc/19/65/41/958196541.db2.gz ZDKNGSQWKFGKHR-HNNXBMFYSA-N 2 0 279.428 1.370 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001318698450 958235562 /nfs/dbraw/zinc/23/55/62/958235562.db2.gz LCRAMUWVLASNOV-HNNXBMFYSA-N 2 0 276.384 1.403 10 30 CDEERP C=CC[N@@H+](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001492484453 958394178 /nfs/dbraw/zinc/39/41/78/958394178.db2.gz JTNIXYFCGQIZFL-UHFFFAOYSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001319633454 958665253 /nfs/dbraw/zinc/66/52/53/958665253.db2.gz HTAYOJAOAQOPSM-LSDHHAIUSA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001319786603 958726109 /nfs/dbraw/zinc/72/61/09/958726109.db2.gz AHGBIWRYGXPFKM-OAHLLOKOSA-N 2 0 291.439 1.629 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001495136367 972423542 /nfs/dbraw/zinc/42/35/42/972423542.db2.gz HWNWSIMYRYZYEB-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001320921079 959459421 /nfs/dbraw/zinc/45/94/21/959459421.db2.gz LMRKUWHGYOMWHS-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)C[N@@H+](C)CCC)CCCC1 ZINC001495205172 972437031 /nfs/dbraw/zinc/43/70/31/972437031.db2.gz WBXMXKFUUQQEGT-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001321056993 959563319 /nfs/dbraw/zinc/56/33/19/959563319.db2.gz LQVQEYSVIVSBQP-IDTUSYRASA-N 2 0 277.412 1.145 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001322244874 960150009 /nfs/dbraw/zinc/15/00/09/960150009.db2.gz QFFPZBFAVBEXEY-CZUORRHYSA-N 2 0 297.418 1.269 10 30 CDEERP C=CCC[NH+]1CC(N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001324017079 961110573 /nfs/dbraw/zinc/11/05/73/961110573.db2.gz HFRRQHMUZTXNFF-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(Cl)CN1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001420568677 963072250 /nfs/dbraw/zinc/07/22/50/963072250.db2.gz WEUYKCNWHUPDMG-ZIAGYGMSSA-N 2 0 299.846 1.519 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001438761031 963543882 /nfs/dbraw/zinc/54/38/82/963543882.db2.gz ATCWEYMLQSAUGN-DGCLKSJQSA-N 2 0 287.835 1.517 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001441171734 964404783 /nfs/dbraw/zinc/40/47/83/964404783.db2.gz FXRYDZMZQLODEE-OLZOCXBDSA-N 2 0 285.819 1.318 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001441532580 964576132 /nfs/dbraw/zinc/57/61/32/964576132.db2.gz CTLAGZNFZUMLNI-NWDGAFQWSA-N 2 0 275.824 1.516 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001496386763 972908350 /nfs/dbraw/zinc/90/83/50/972908350.db2.gz BMLFBLALMPIEJU-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001496561300 972971677 /nfs/dbraw/zinc/97/16/77/972971677.db2.gz HGUDFYBNSFOCBM-OAHLLOKOSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497207923 973244428 /nfs/dbraw/zinc/24/44/28/973244428.db2.gz MNNISDCAYFKTJI-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001500127841 974379910 /nfs/dbraw/zinc/37/99/10/974379910.db2.gz VYTQAXWXHKBTRF-MRXNPFEDSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001375560364 974422999 /nfs/dbraw/zinc/42/29/99/974422999.db2.gz ZKKJDYHGRRSJDT-MGPQQGTHSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001501080392 974529819 /nfs/dbraw/zinc/52/98/19/974529819.db2.gz OGFYDGHRIZLSNY-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001501172009 974544430 /nfs/dbraw/zinc/54/44/30/974544430.db2.gz LPZIPBCGEVNWKF-FZKCQIBNSA-N 2 0 293.455 1.872 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001505433791 974875979 /nfs/dbraw/zinc/87/59/79/974875979.db2.gz FFAFQIQYEZCWIL-AWEZNQCLSA-N 2 0 277.412 1.027 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001505518377 974899000 /nfs/dbraw/zinc/89/90/00/974899000.db2.gz HHEHMLVVRSUTDJ-XGNXJENSSA-N 2 0 299.846 1.565 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001505693870 974965351 /nfs/dbraw/zinc/96/53/51/974965351.db2.gz GMKZADXTJYWBMS-ZIAGYGMSSA-N 2 0 281.444 1.470 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001505940088 975052636 /nfs/dbraw/zinc/05/26/36/975052636.db2.gz VMBYQYYQKGSLEH-KGLIPLIRSA-N 2 0 269.433 1.585 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)C12CCC[NH+]1CCC2 ZINC001506541125 975175749 /nfs/dbraw/zinc/17/57/49/975175749.db2.gz VMAOKTCWZLBSAJ-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507153777 975356126 /nfs/dbraw/zinc/35/61/26/975356126.db2.gz JRLWSRXTUBVVDC-GFCCVEGCSA-N 2 0 273.808 1.271 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001507287433 975398674 /nfs/dbraw/zinc/39/86/74/975398674.db2.gz AFULFGSLPNRVSU-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001508074366 975598726 /nfs/dbraw/zinc/59/87/26/975598726.db2.gz NURLWAPPPNIXHD-HOCLYGCPSA-N 2 0 295.471 1.975 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001389964715 976066248 /nfs/dbraw/zinc/06/62/48/976066248.db2.gz ZJXMIYAUBDTBOU-XQQFMLRXSA-N 2 0 287.835 1.562 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001674154542 1173920418 /nfs/dbraw/zinc/92/04/18/1173920418.db2.gz LZQYKLIVEUKVBK-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001676893276 1174286790 /nfs/dbraw/zinc/28/67/90/1174286790.db2.gz IPRODDHWBYMQRU-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001570852388 1170300102 /nfs/dbraw/zinc/30/01/02/1170300102.db2.gz USJABCXNGSWZEG-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001571117946 1170336971 /nfs/dbraw/zinc/33/69/71/1170336971.db2.gz MIFMVDJZCOECIT-JYJNAYRXSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001571562212 1170477963 /nfs/dbraw/zinc/47/79/63/1170477963.db2.gz LBLAXZIQTRTXGL-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001571624304 1170500718 /nfs/dbraw/zinc/50/07/18/1170500718.db2.gz HQQFIQAFNRTARU-GJZGRUSLSA-N 2 0 293.455 1.635 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001653609299 1171553275 /nfs/dbraw/zinc/55/32/75/1171553275.db2.gz ONQQARIPZDXIMC-HOTGVXAUSA-N 2 0 293.455 1.826 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001656140672 1171778347 /nfs/dbraw/zinc/77/83/47/1171778347.db2.gz UCXYOENJLPOHPS-QLFBSQMISA-N 2 0 279.428 1.531 10 30 CDEERP CC[C@@H]1[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC[N@@H+]1C ZINC000601015821 342458206 /nfs/dbraw/zinc/45/82/06/342458206.db2.gz QQGJMRNIEBDKAF-LSDHHAIUSA-N 2 0 294.443 1.411 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000594427925 342897645 /nfs/dbraw/zinc/89/76/45/342897645.db2.gz XZHALOCCRHNJMN-HNNXBMFYSA-N 2 0 286.379 1.682 10 30 CDEERP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600721072 342244759 /nfs/dbraw/zinc/24/47/59/342244759.db2.gz KUJGAIRPKWGVSJ-KGLIPLIRSA-N 2 0 265.401 1.363 10 30 CDEERP C=CCN1CC[C@H](N2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])C1=O ZINC000641810495 365899582 /nfs/dbraw/zinc/89/95/82/365899582.db2.gz XNOWJLCIYGZCBM-XUXIUFHCSA-N 2 0 265.401 1.221 10 30 CDEERP C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@H](C)[NH3+] ZINC000423461719 374382888 /nfs/dbraw/zinc/38/28/88/374382888.db2.gz KDTMOLUDASXQHI-QWHCGFSZSA-N 2 0 272.396 1.852 10 30 CDEERP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001661891430 1172462740 /nfs/dbraw/zinc/46/27/40/1172462740.db2.gz ZJHRPWXSAMDEIV-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123895844 375859094 /nfs/dbraw/zinc/85/90/94/375859094.db2.gz FJQCDUSKBUWLES-RBSFLKMASA-N 2 0 294.443 1.409 10 30 CDEERP CC#CC[NH2+]C1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001662138368 1172486381 /nfs/dbraw/zinc/48/63/81/1172486381.db2.gz JHHOSSGTZRSUNY-UHFFFAOYSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCN1CC[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000374099511 391146156 /nfs/dbraw/zinc/14/61/56/391146156.db2.gz NMJRFRRALZRGGH-INIZCTEOSA-N 2 0 291.439 1.581 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001663457282 1172698961 /nfs/dbraw/zinc/69/89/61/1172698961.db2.gz HTKAPAYTFRBVIP-OKILXGFUSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353619837 391398204 /nfs/dbraw/zinc/39/82/04/391398204.db2.gz JDSVUPHDWFTOLH-XQLPTFJDSA-N 2 0 252.402 1.633 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001663668230 1172744834 /nfs/dbraw/zinc/74/48/34/1172744834.db2.gz ORPNHQBEAOPZFJ-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001663744590 1172755263 /nfs/dbraw/zinc/75/52/63/1172755263.db2.gz VZKHGKOIBVDAJV-UHFFFAOYSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001664836210 1172917974 /nfs/dbraw/zinc/91/79/74/1172917974.db2.gz QPWMHBHLAPUUST-JKSUJKDBSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000662703173 413347956 /nfs/dbraw/zinc/34/79/56/413347956.db2.gz QBNZLLYNDXDPMS-JSGCOSHPSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCC[NH2+]1 ZINC000662719620 413380699 /nfs/dbraw/zinc/38/06/99/413380699.db2.gz HPMVEIGCDXPBNS-GDBMZVCRSA-N 2 0 277.412 1.285 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H](C)CCCC[NH3+])CCC[NH2+]1 ZINC000662781673 413487983 /nfs/dbraw/zinc/48/79/83/413487983.db2.gz XXWAPHBDWAMGPT-JSGCOSHPSA-N 2 0 253.390 1.318 10 30 CDEERP C=CC[C@@]1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCC[NH2+]1 ZINC000662828891 413560256 /nfs/dbraw/zinc/56/02/56/413560256.db2.gz NWIDACQLDCRXHQ-BPUTZDHNSA-N 2 0 277.412 1.272 10 30 CDEERP CN(Cc1cc(C#CC[NH3+])cs1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190468 176066672 /nfs/dbraw/zinc/06/66/72/176066672.db2.gz BDWCJTSLGNDIEH-CQSZACIVSA-N 2 0 277.437 1.442 10 30 CDEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001666022044 1173100932 /nfs/dbraw/zinc/10/09/32/1173100932.db2.gz QRUCRYCAQLUXIX-OAHLLOKOSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001666162116 1173114391 /nfs/dbraw/zinc/11/43/91/1173114391.db2.gz KKBAXTIUNTZSAY-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001666379394 1173130463 /nfs/dbraw/zinc/13/04/63/1173130463.db2.gz MEUVFOKQJKJHAU-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001666708211 1173176541 /nfs/dbraw/zinc/17/65/41/1173176541.db2.gz LVBSSRKNDQSHAL-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001667100626 1173234347 /nfs/dbraw/zinc/23/43/47/1173234347.db2.gz GFDSMWBPGSNLFY-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001667199374 1173245130 /nfs/dbraw/zinc/24/51/30/1173245130.db2.gz ZECGTDXZDAUDOG-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001669904099 1173626280 /nfs/dbraw/zinc/62/62/80/1173626280.db2.gz GFKOKNNIURLIIP-HNNXBMFYSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001671769184 1173710870 /nfs/dbraw/zinc/71/08/70/1173710870.db2.gz QAGQNAXWRJZYGC-ZBFHGGJFSA-N 2 0 279.428 1.485 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@@H](COC)C1 ZINC000262487044 330016916 /nfs/dbraw/zinc/01/69/16/330016916.db2.gz SSRVNSSNMAJAPT-KGLIPLIRSA-N 2 0 282.432 1.014 10 30 CDEERP CC[NH+]=C(NC1CCC1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262760090 330029661 /nfs/dbraw/zinc/02/96/61/330029661.db2.gz CUOITYZYHIPEFV-WCQYABFASA-N 2 0 264.417 1.719 10 30 CDEERP CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)NCC[NH+](C)C ZINC000442849031 330786792 /nfs/dbraw/zinc/78/67/92/330786792.db2.gz ZWNBIAHQLGCBEJ-KFWWJZLASA-N 2 0 294.443 1.361 10 30 CDEERP COC(C)(C)C[NH+](C)CC#CC[N@@H+](C)CC(C)(C)OC ZINC000551387219 334248210 /nfs/dbraw/zinc/24/82/10/334248210.db2.gz YVRJSXVQMOFYES-UHFFFAOYSA-N 2 0 284.444 1.703 10 30 CDEERP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001725196507 1159231295 /nfs/dbraw/zinc/23/12/95/1159231295.db2.gz QVPVMXACEICDSL-CQSZACIVSA-N 2 0 269.433 1.729 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268063857 1159768060 /nfs/dbraw/zinc/76/80/60/1159768060.db2.gz NGXFHHHNNFBQPG-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C[C@@H]1OCC[C@]1(C)[NH2+]CC#CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000671243785 483198710 /nfs/dbraw/zinc/19/87/10/483198710.db2.gz YPTWHZWAOXZUFB-VGWMRTNUSA-N 2 0 280.412 1.304 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001714597929 1179250927 /nfs/dbraw/zinc/25/09/27/1179250927.db2.gz UQEDLAXRNCMWTM-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001734062624 1183644796 /nfs/dbraw/zinc/64/47/96/1183644796.db2.gz TWMKJWUZHUCJKQ-CQSZACIVSA-N 2 0 267.417 1.178 10 30 CDEERP C[NH+](C)C[C@H]1CCCN1Cc1ccc(F)cc1C#CC[NH3+] ZINC000061652300 521872035 /nfs/dbraw/zinc/87/20/35/521872035.db2.gz GMALRIOAINDEAA-QGZVFWFLSA-N 2 0 289.398 1.662 10 30 CDEERP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(C#CC[NH3+])c1 ZINC000049609842 523517563 /nfs/dbraw/zinc/51/75/63/523517563.db2.gz IEMAHSFRXKIKNA-RHSMWYFYSA-N 2 0 272.392 1.996 10 30 CDEERP C[N@@H+]1CCCN(Cc2ccc(F)cc2C#CC[NH3+])CC1 ZINC000049608763 523810799 /nfs/dbraw/zinc/81/07/99/523810799.db2.gz CXGXOACEKHNDIH-UHFFFAOYSA-N 2 0 275.371 1.273 10 30 CDEERP C#CCCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000766899671 576144300 /nfs/dbraw/zinc/14/43/00/576144300.db2.gz DCGJHNHTQQKQMZ-MRXNPFEDSA-N 2 0 263.429 1.502 10 30 CDEERP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001689059466 1175090521 /nfs/dbraw/zinc/09/05/21/1175090521.db2.gz ZUZKZXYNAFYNIS-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690300034 1175431502 /nfs/dbraw/zinc/43/15/02/1175431502.db2.gz NWKIFECECKEYLQ-SHTZXODSSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218752 613785172 /nfs/dbraw/zinc/78/51/72/613785172.db2.gz YYVXXHGXGUPCHO-KBPBESRZSA-N 2 0 279.428 1.341 10 30 CDEERP N#C[C@@H]1CCC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925848081 617884372 /nfs/dbraw/zinc/88/43/72/617884372.db2.gz ZTSNHJXKOVRNNP-HZPDHXFCSA-N 2 0 278.444 1.734 10 30 CDEERP C=CC[C@@H](C)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000878054622 618716418 /nfs/dbraw/zinc/71/64/18/618716418.db2.gz HQFMSIMLHUUBQP-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C#CCC1(O)CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000896025411 619947817 /nfs/dbraw/zinc/94/78/17/619947817.db2.gz LMBLNFUQDPAMMQ-UHFFFAOYSA-N 2 0 250.386 1.178 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902393615 624757706 /nfs/dbraw/zinc/75/77/06/624757706.db2.gz RCPMOVLQUNSEFW-MJBXVCDLSA-N 2 0 252.402 1.945 10 30 CDEERP C=CC[C@@H](C)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903494352 626011380 /nfs/dbraw/zinc/01/13/80/626011380.db2.gz DJKIFLXASNDELY-CZXHOFHRSA-N 2 0 252.358 1.163 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000908503845 628247325 /nfs/dbraw/zinc/24/73/25/628247325.db2.gz QGMZQOQOHNTAGO-CYBMUJFWSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000911580046 629337468 /nfs/dbraw/zinc/33/74/68/629337468.db2.gz QHSBCZAJNWDGAY-CHWSQXEVSA-N 2 0 267.417 1.339 10 30 CDEERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000157364112 630595636 /nfs/dbraw/zinc/59/56/36/630595636.db2.gz RFTJSALRZUGQHL-GJZGRUSLSA-N 2 0 296.459 1.438 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001691980049 1158533939 /nfs/dbraw/zinc/53/39/39/1158533939.db2.gz WDEDCHYLPHQLQY-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001670469711 1158613364 /nfs/dbraw/zinc/61/33/64/1158613364.db2.gz KVWIMVHESIQFPV-HUUCEWRRSA-N 2 0 279.428 1.530 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001670478210 1158617095 /nfs/dbraw/zinc/61/70/95/1158617095.db2.gz BZZHGQOQASEVCJ-HOTGVXAUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001691040456 1158669466 /nfs/dbraw/zinc/66/94/66/1158669466.db2.gz LVVILKOSDUDNQN-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001266619777 1158699782 /nfs/dbraw/zinc/69/97/82/1158699782.db2.gz ACFCARKQTJRAGV-IHRRRGAJSA-N 2 0 265.401 1.141 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001691095515 1158906521 /nfs/dbraw/zinc/90/65/21/1158906521.db2.gz APLHWSAOVXABCN-XHSDSOJGSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001691097710 1158907838 /nfs/dbraw/zinc/90/78/38/1158907838.db2.gz QTKCNKWJNNETKN-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001700428428 1159002385 /nfs/dbraw/zinc/00/23/85/1159002385.db2.gz AJSCEKLXCGVHMQ-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691321940 1159016857 /nfs/dbraw/zinc/01/68/57/1159016857.db2.gz PSJGOICYJQSWQA-OAHLLOKOSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001266859337 1158914194 /nfs/dbraw/zinc/91/41/94/1158914194.db2.gz XQFSDRDAMRDINM-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268414038 1159932313 /nfs/dbraw/zinc/93/23/13/1159932313.db2.gz QCOCUNQLHBIISO-UONOGXRCSA-N 2 0 269.433 1.633 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270913497 1160228132 /nfs/dbraw/zinc/22/81/32/1160228132.db2.gz JXJWMNDNFSOLDF-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000876723213 1165900797 /nfs/dbraw/zinc/90/07/97/1165900797.db2.gz PZDWRYWXLQYCGW-CMPLNLGQSA-N 2 0 273.808 1.304 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCCCC1 ZINC000876952138 1165946812 /nfs/dbraw/zinc/94/68/12/1165946812.db2.gz XMPFEVCDIJXEFC-GFCCVEGCSA-N 2 0 273.808 1.401 10 30 CDEERP C=CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000878198596 1166158742 /nfs/dbraw/zinc/15/87/42/1166158742.db2.gz NMRQRLQMFCLCNL-KGLIPLIRSA-N 2 0 265.401 1.189 10 30 CDEERP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C)CC1 ZINC000878886068 1166264184 /nfs/dbraw/zinc/26/41/84/1166264184.db2.gz ZLDCIJHRJQVFCI-GDBMZVCRSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001637612115 1166772802 /nfs/dbraw/zinc/77/28/02/1166772802.db2.gz IVFYEHSXQQTTLW-CHWSQXEVSA-N 2 0 253.390 1.045 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568851871 1169518079 /nfs/dbraw/zinc/51/80/79/1169518079.db2.gz NPXMRPSBOMOROO-JLVOYYQZSA-N 2 0 265.401 1.165 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001569257965 1169738255 /nfs/dbraw/zinc/73/82/55/1169738255.db2.gz OHZLGPMWOMFQNU-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001569381268 1169831017 /nfs/dbraw/zinc/83/10/17/1169831017.db2.gz LOBCLDAPTLGLIW-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001569821827 1170005860 /nfs/dbraw/zinc/00/58/60/1170005860.db2.gz SXENSCDFGOTAIW-CABCVRRESA-N 2 0 293.455 1.424 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001661152445 1172344994 /nfs/dbraw/zinc/34/49/94/1172344994.db2.gz QLMZJZPPIZOHSO-HNNXBMFYSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001664370074 1172845865 /nfs/dbraw/zinc/84/58/65/1172845865.db2.gz WNVAWGXANNXZSI-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001666245394 1173120271 /nfs/dbraw/zinc/12/02/71/1173120271.db2.gz YDJSOXINCHAQQF-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001690955221 1175626060 /nfs/dbraw/zinc/62/60/60/1175626060.db2.gz NUUFWTKUYMLUBA-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001691798951 1175629191 /nfs/dbraw/zinc/62/91/91/1175629191.db2.gz WHNBFXVYXOHKIW-JKSUJKDBSA-N 2 0 293.455 1.663 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001699024068 1176047185 /nfs/dbraw/zinc/04/71/85/1176047185.db2.gz QERBMUQSMDGMDT-ZBFHGGJFSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)C1CCC1 ZINC001699267561 1176188234 /nfs/dbraw/zinc/18/82/34/1176188234.db2.gz KRLLBQRZLDMVJN-ARJAWSKDSA-N 2 0 285.819 1.485 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CC1 ZINC001699295747 1176201779 /nfs/dbraw/zinc/20/17/79/1176201779.db2.gz IKISSCQEWHFVPO-AATRIKPKSA-N 2 0 265.401 1.166 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001699676485 1176567077 /nfs/dbraw/zinc/56/70/77/1176567077.db2.gz SSYZNHJZVWQYGU-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC2CC2)CC1 ZINC001699782542 1176619853 /nfs/dbraw/zinc/61/98/53/1176619853.db2.gz GGZSZEMWDVQLJQ-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)Cc2cncn2C)CCC1 ZINC001700142292 1176768892 /nfs/dbraw/zinc/76/88/92/1176768892.db2.gz RCYHGPHBWNMKLU-UHFFFAOYSA-N 2 0 276.384 1.167 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001700355368 1176869756 /nfs/dbraw/zinc/86/97/56/1176869756.db2.gz HPDSUCXQRSGYKV-OAHLLOKOSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001700358171 1176872703 /nfs/dbraw/zinc/87/27/03/1176872703.db2.gz UQMDDZLBXPJKON-INIZCTEOSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001700475283 1176963079 /nfs/dbraw/zinc/96/30/79/1176963079.db2.gz WDFONIJJAOFDRF-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001700475284 1176964034 /nfs/dbraw/zinc/96/40/34/1176964034.db2.gz WDFONIJJAOFDRF-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001700614843 1177036728 /nfs/dbraw/zinc/03/67/28/1177036728.db2.gz GNWNEMRTHVFJSX-XHSDSOJGSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001700633265 1177046496 /nfs/dbraw/zinc/04/64/96/1177046496.db2.gz OYAUTCOZDDNLHW-RBSFLKMASA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713381417 1178528819 /nfs/dbraw/zinc/52/88/19/1178528819.db2.gz JLGHCUUZDBQQKY-CVEARBPZSA-N 2 0 291.439 1.513 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713551699 1178641275 /nfs/dbraw/zinc/64/12/75/1178641275.db2.gz XAQFEGOWOIZJMV-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH+](CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001713771604 1178747259 /nfs/dbraw/zinc/74/72/59/1178747259.db2.gz NCTVOBCDAXTSIG-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001713824405 1178776819 /nfs/dbraw/zinc/77/68/19/1178776819.db2.gz DOHNTWNRXZLLOP-LSDHHAIUSA-N 2 0 299.434 1.823 10 30 CDEERP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001713851756 1178792088 /nfs/dbraw/zinc/79/20/88/1178792088.db2.gz YLCDGZMSMNMBCI-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001714003717 1178923217 /nfs/dbraw/zinc/92/32/17/1178923217.db2.gz KDPNOLASIJHENV-GJZGRUSLSA-N 2 0 297.418 1.222 10 30 CDEERP C#CCC[NH2+]C[C@](C)(NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001714172414 1179001890 /nfs/dbraw/zinc/00/18/90/1179001890.db2.gz VNJHLWAXXXHKAE-KRWDZBQOSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001714280237 1179063741 /nfs/dbraw/zinc/06/37/41/1179063741.db2.gz CRLAIJDHOJVMJF-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[NH+]1CCC(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001714331792 1179087300 /nfs/dbraw/zinc/08/73/00/1179087300.db2.gz KMNGUPLUPJEZNI-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[N@@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001714822553 1179411057 /nfs/dbraw/zinc/41/10/57/1179411057.db2.gz RAMAXWYHDVSVBQ-INIZCTEOSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001714894308 1179442583 /nfs/dbraw/zinc/44/25/83/1179442583.db2.gz GDTWBKSXIDKJNT-LSDHHAIUSA-N 2 0 299.434 1.633 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001715422914 1179662491 /nfs/dbraw/zinc/66/24/91/1179662491.db2.gz VOQWNXSIDWYACX-ZIAGYGMSSA-N 2 0 267.417 1.339 10 30 CDEERP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001715473790 1179676826 /nfs/dbraw/zinc/67/68/26/1179676826.db2.gz MBFULDFXPWBCKY-GOEBONIOSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715695906 1179767106 /nfs/dbraw/zinc/76/71/06/1179767106.db2.gz JOAQTHJRRLDKLR-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001715953938 1179938969 /nfs/dbraw/zinc/93/89/69/1179938969.db2.gz OGHMFQBWLBNKNM-CQSZACIVSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001715979213 1179959905 /nfs/dbraw/zinc/95/99/05/1179959905.db2.gz MHAZKJXGMQUYAA-LBPRGKRZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001716062068 1180027337 /nfs/dbraw/zinc/02/73/37/1180027337.db2.gz SAMOAUZZZQKDMU-KBPBESRZSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001716631914 1180316475 /nfs/dbraw/zinc/31/64/75/1180316475.db2.gz QTSIMHFHFVILHD-JKSUJKDBSA-N 2 0 291.439 1.224 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001716974203 1180487170 /nfs/dbraw/zinc/48/71/70/1180487170.db2.gz XGEAEKZMTJISEW-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001717290976 1180606958 /nfs/dbraw/zinc/60/69/58/1180606958.db2.gz SNRBXGLYQJBJKW-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001717459056 1180680559 /nfs/dbraw/zinc/68/05/59/1180680559.db2.gz OQYDJUSBWCEWHH-HNNXBMFYSA-N 2 0 295.471 1.979 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001717527349 1180722153 /nfs/dbraw/zinc/72/21/53/1180722153.db2.gz LFRJZGLMEDKDBA-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001717582455 1180748745 /nfs/dbraw/zinc/74/87/45/1180748745.db2.gz JWFSROBSXPUMSI-OAHLLOKOSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001717661546 1180781610 /nfs/dbraw/zinc/78/16/10/1180781610.db2.gz QVYGRCSHQIAVJG-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001717798658 1180861323 /nfs/dbraw/zinc/86/13/23/1180861323.db2.gz RUPFDVKVSBPMJI-ZIAGYGMSSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@H]12 ZINC001717839932 1180889052 /nfs/dbraw/zinc/88/90/52/1180889052.db2.gz DVEWAYFEVXFZKW-GOEBONIOSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001717887727 1180914374 /nfs/dbraw/zinc/91/43/74/1180914374.db2.gz TWGFAZLYULPQDM-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001724961811 1181810073 /nfs/dbraw/zinc/81/00/73/1181810073.db2.gz QRGBAZUXORRXDN-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001725397924 1181987463 /nfs/dbraw/zinc/98/74/63/1181987463.db2.gz ZFZVVVJTLNZVCH-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001725456253 1182007442 /nfs/dbraw/zinc/00/74/42/1182007442.db2.gz PWNVEEDXWVVTKX-INIZCTEOSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001725662759 1182090655 /nfs/dbraw/zinc/09/06/55/1182090655.db2.gz QVESYSCIAAHTLC-HZPDHXFCSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001731482826 1182413773 /nfs/dbraw/zinc/41/37/73/1182413773.db2.gz HWJKNAAOBODEIY-HRCADAONSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001731536162 1182439214 /nfs/dbraw/zinc/43/92/14/1182439214.db2.gz LPIDGUYETZTZRA-HUUCEWRRSA-N 2 0 299.434 1.823 10 30 CDEERP C#CCC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001731556726 1182446499 /nfs/dbraw/zinc/44/64/99/1182446499.db2.gz BIGRKCQJCZVVON-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001731720698 1182531242 /nfs/dbraw/zinc/53/12/42/1182531242.db2.gz SXINFQBWQOPWNS-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001731987459 1182715756 /nfs/dbraw/zinc/71/57/56/1182715756.db2.gz HKQGTROTAMCMGE-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cnc2C)C1 ZINC001732060643 1182745981 /nfs/dbraw/zinc/74/59/81/1182745981.db2.gz SHBJEKKJXGSHQY-CQSZACIVSA-N 2 0 290.411 1.665 10 30 CDEERP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001732324484 1182906016 /nfs/dbraw/zinc/90/60/16/1182906016.db2.gz DNUPHDMCICGLED-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)c1sccc1C[NH+](C)C ZINC001732422422 1182958521 /nfs/dbraw/zinc/95/85/21/1182958521.db2.gz HTSJKJLGOOAKNK-GFCCVEGCSA-N 2 0 293.436 1.493 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001732489135 1182987508 /nfs/dbraw/zinc/98/75/08/1182987508.db2.gz SIIAOQOWUGYQQD-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001733017901 1183239680 /nfs/dbraw/zinc/23/96/80/1183239680.db2.gz UCGWYBOCIKCHEW-AWEZNQCLSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001733676715 1183495071 /nfs/dbraw/zinc/49/50/71/1183495071.db2.gz JNWUXBUQTYJWLQ-CQSZACIVSA-N 2 0 299.846 1.663 10 30 CDEERP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001734094649 1183655071 /nfs/dbraw/zinc/65/50/71/1183655071.db2.gz UGLOHCWEHXNOSF-OWCLPIDISA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001734215441 1183694443 /nfs/dbraw/zinc/69/44/43/1183694443.db2.gz PSKARERPIWZDFY-JYJNAYRXSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001734326590 1183733724 /nfs/dbraw/zinc/73/37/24/1183733724.db2.gz MQPFDYXSUYMAIW-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001734486213 1183797492 /nfs/dbraw/zinc/79/74/92/1183797492.db2.gz HBWAAZKQPDKCAC-CVEARBPZSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000876748311 1165907947 /nfs/dbraw/zinc/90/79/47/1165907947.db2.gz BAQPQRDLEVWXAN-MNOVXSKESA-N 2 0 259.781 1.009 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H](C)C2CC[NH2+]CC2)CCC[NH2+]1 ZINC000877253796 1166004353 /nfs/dbraw/zinc/00/43/53/1166004353.db2.gz IMDIYZZZKAXSQY-WFASDCNBSA-N 2 0 265.401 1.189 10 30 CDEERP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C)CC1 ZINC000878886070 1166264385 /nfs/dbraw/zinc/26/43/85/1166264385.db2.gz ZLDCIJHRJQVFCI-HOCLYGCPSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001569108336 1167549138 /nfs/dbraw/zinc/54/91/38/1167549138.db2.gz HLPBKBKHXNWCEP-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1CC ZINC001566027107 1168216859 /nfs/dbraw/zinc/21/68/59/1168216859.db2.gz UQAJWCSNSNKBTA-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001566632513 1168363478 /nfs/dbraw/zinc/36/34/78/1168363478.db2.gz CVIPLDGNPQBPAT-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001566792633 1168424578 /nfs/dbraw/zinc/42/45/78/1168424578.db2.gz SDAHRQYIJQGGKO-KKUMJFAQSA-N 2 0 279.428 1.674 10 30 CDEERP C=CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001566825803 1168432918 /nfs/dbraw/zinc/43/29/18/1168432918.db2.gz BEZAROFWUVHQOW-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001566871390 1168453500 /nfs/dbraw/zinc/45/35/00/1168453500.db2.gz BGEQSUWFEQCAIX-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+]1CCC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001566878382 1168453725 /nfs/dbraw/zinc/45/37/25/1168453725.db2.gz ARGXTCBJGDZQQM-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001567346849 1168694358 /nfs/dbraw/zinc/69/43/58/1168694358.db2.gz GZGIXOSRKCUALJ-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001567439147 1168760813 /nfs/dbraw/zinc/76/08/13/1168760813.db2.gz LCOBKAYBQGKTLS-CQSZACIVSA-N 2 0 265.401 1.237 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266465739 894988231 /nfs/dbraw/zinc/98/82/31/894988231.db2.gz BBEFJSDXAMRZQO-HNNXBMFYSA-N 2 0 291.439 1.132 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267020438 896576800 /nfs/dbraw/zinc/57/68/00/896576800.db2.gz BZUHFLPAJNZIDB-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267557333 898352811 /nfs/dbraw/zinc/35/28/11/898352811.db2.gz CECPJTQXEDELSY-HOTGVXAUSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001480982319 898425278 /nfs/dbraw/zinc/42/52/78/898425278.db2.gz QMAXSJWGLVYGCF-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267766384 899643544 /nfs/dbraw/zinc/64/35/44/899643544.db2.gz HXJPVHWQPPYBAI-OAHLLOKOSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001267777916 899702920 /nfs/dbraw/zinc/70/29/20/899702920.db2.gz VIVIFFZSMAYZDM-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001267839074 899847743 /nfs/dbraw/zinc/84/77/43/899847743.db2.gz GPNRDESYFLYTJL-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267945982 900018300 /nfs/dbraw/zinc/01/83/00/900018300.db2.gz FNTWKIOJCLMBJT-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001567709441 1168931394 /nfs/dbraw/zinc/93/13/94/1168931394.db2.gz ORJLEMSZXOCIHX-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001481508315 900965829 /nfs/dbraw/zinc/96/58/29/900965829.db2.gz IZFOJBZYZLDUOW-HNNXBMFYSA-N 2 0 281.444 1.683 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001268093596 901230009 /nfs/dbraw/zinc/23/00/09/901230009.db2.gz KCWRFJZXGKWUPA-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[N@@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001268242274 901648346 /nfs/dbraw/zinc/64/83/46/901648346.db2.gz JCOFIMRNGMXUJO-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481741395 901990172 /nfs/dbraw/zinc/99/01/72/901990172.db2.gz LJQDGDRVTSMYCC-OAHLLOKOSA-N 2 0 293.455 1.520 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001481768300 902099630 /nfs/dbraw/zinc/09/96/30/902099630.db2.gz NFYUXBFZABPVGO-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001268694867 902975779 /nfs/dbraw/zinc/97/57/79/902975779.db2.gz TUAIQCNXAMWDDF-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001268734292 903057327 /nfs/dbraw/zinc/05/73/27/903057327.db2.gz TZMBCKGDRCWJHC-YNEHKIRRSA-N 2 0 276.384 1.526 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001269187610 903524395 /nfs/dbraw/zinc/52/43/95/903524395.db2.gz WJIDDITUIUPGRX-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001269348738 903724041 /nfs/dbraw/zinc/72/40/41/903724041.db2.gz NDTLKBFQZGTPGW-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001271517420 906495618 /nfs/dbraw/zinc/49/56/18/906495618.db2.gz DWXOWUBRFYJIEG-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482628314 908079477 /nfs/dbraw/zinc/07/94/77/908079477.db2.gz NARFLLXKMBRAFH-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001483067496 909248554 /nfs/dbraw/zinc/24/85/54/909248554.db2.gz DUERVGMFRHSQKF-CGXNLCPXSA-N 2 0 277.412 1.451 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001483231481 910325729 /nfs/dbraw/zinc/32/57/29/910325729.db2.gz NVORFDDJDIGJFP-NSHDSACASA-N 2 0 281.425 1.704 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001568034163 1169124231 /nfs/dbraw/zinc/12/42/31/1169124231.db2.gz MRZVACXQHNWYMM-HNNXBMFYSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483339967 910929775 /nfs/dbraw/zinc/92/97/75/910929775.db2.gz VXEUUERJNMWQSH-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001483936531 915209407 /nfs/dbraw/zinc/20/94/07/915209407.db2.gz OORFEMQQWFDZPC-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484098606 915431040 /nfs/dbraw/zinc/43/10/40/915431040.db2.gz WYNYCEDBERSWNU-QGZVFWFLSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484122180 915446446 /nfs/dbraw/zinc/44/64/46/915446446.db2.gz BQQPWBDFEXRBFY-GDBMZVCRSA-N 2 0 281.444 1.587 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484349191 915658226 /nfs/dbraw/zinc/65/82/26/915658226.db2.gz ZESGINZDOHXAMA-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NC1CCCCC1 ZINC000104167063 931322330 /nfs/dbraw/zinc/32/23/30/931322330.db2.gz KELJPKCZGZCZIE-GFCCVEGCSA-N 2 0 254.422 1.954 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001484940233 916301953 /nfs/dbraw/zinc/30/19/53/916301953.db2.gz CDMIZADCMJHGBF-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485230068 916683496 /nfs/dbraw/zinc/68/34/96/916683496.db2.gz PKOYGAYLXPJBGP-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001485518051 917057379 /nfs/dbraw/zinc/05/73/79/917057379.db2.gz USWOPCVDNODMQX-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001485689042 917184455 /nfs/dbraw/zinc/18/44/55/917184455.db2.gz PIFVAAUKXBGHLS-RBSFLKMASA-N 2 0 281.444 1.777 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272866285 919927240 /nfs/dbraw/zinc/92/72/40/919927240.db2.gz USEAGOXKVYCTFB-CHWSQXEVSA-N 2 0 287.835 1.708 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485922656 920579907 /nfs/dbraw/zinc/57/99/07/920579907.db2.gz PCDVAZZUGPJSPK-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001486392362 920976327 /nfs/dbraw/zinc/97/63/27/920976327.db2.gz ZHNHOGLYVMTOAS-KGLIPLIRSA-N 2 0 279.428 1.224 10 30 CDEERP N#Cc1ccccc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923447988 923835031 /nfs/dbraw/zinc/83/50/31/923835031.db2.gz ZEQGCQBRSIXQTI-INIZCTEOSA-N 2 0 285.391 1.888 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001491179529 936869392 /nfs/dbraw/zinc/86/93/92/936869392.db2.gz LDABWXRTBGTADM-CQSZACIVSA-N 2 0 277.412 1.096 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001491180624 936869541 /nfs/dbraw/zinc/86/95/41/936869541.db2.gz UKDFQLMBWJBPHW-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCn1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)nn1 ZINC000923495151 923871105 /nfs/dbraw/zinc/87/11/05/923871105.db2.gz ULLIUMBZPYIIGT-QWHCGFSZSA-N 2 0 263.389 1.271 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001568417430 1169278545 /nfs/dbraw/zinc/27/85/45/1169278545.db2.gz XOIPFOLXISQRQY-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494869240 925960541 /nfs/dbraw/zinc/96/05/41/925960541.db2.gz SIOHZGNELZNFJN-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001488859242 926724226 /nfs/dbraw/zinc/72/42/26/926724226.db2.gz VQSBCUPJLLLTMJ-SHTZXODSSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001490660633 927289181 /nfs/dbraw/zinc/28/91/81/927289181.db2.gz HGLIRFMHMYXXGQ-JKSUJKDBSA-N 2 0 293.455 1.920 10 30 CDEERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852898667 927913369 /nfs/dbraw/zinc/91/33/69/927913369.db2.gz NQBJWDTWHGTKCO-OAHLLOKOSA-N 2 0 291.439 1.226 10 30 CDEERP CCCCCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000863560739 929570339 /nfs/dbraw/zinc/57/03/39/929570339.db2.gz QCKMODLXXNIGFO-OAHLLOKOSA-N 2 0 271.449 1.155 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001568498299 1169333186 /nfs/dbraw/zinc/33/31/86/1169333186.db2.gz AVQBIVIPOITDJY-CYBMUJFWSA-N 2 0 278.400 1.555 10 30 CDEERP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001274884082 931601496 /nfs/dbraw/zinc/60/14/96/931601496.db2.gz WXWYWXTZZGMKRY-NVXWUHKLSA-N 2 0 299.418 1.227 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)n1cnc(C)c1 ZINC001275591962 931898666 /nfs/dbraw/zinc/89/86/66/931898666.db2.gz DLBPSXXCZSQKGK-AWEZNQCLSA-N 2 0 290.411 1.386 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001275730773 931984447 /nfs/dbraw/zinc/98/44/47/931984447.db2.gz XJGCRPNTXQWSSF-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275835367 932078838 /nfs/dbraw/zinc/07/88/38/932078838.db2.gz LHWLIHJGPWZOIO-RBSFLKMASA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+]C[C@H](CCCC)NC(=O)C1CC[NH+](C)CC1 ZINC001276261854 932695921 /nfs/dbraw/zinc/69/59/21/932695921.db2.gz OWBOKOUMKZXCJG-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)C[C@@H](CO)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000925769184 932937914 /nfs/dbraw/zinc/93/79/14/932937914.db2.gz BMXATTACEHQMGM-KGLIPLIRSA-N 2 0 298.427 1.225 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001122057013 937902260 /nfs/dbraw/zinc/90/22/60/937902260.db2.gz YYEUJZRQYHKBKL-JKSUJKDBSA-N 2 0 293.455 1.908 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001276602916 940409707 /nfs/dbraw/zinc/40/97/07/940409707.db2.gz IETALXFKLFKCOM-CVEARBPZSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC001332436794 942416411 /nfs/dbraw/zinc/41/64/11/942416411.db2.gz HXPAGGJYKRZTSA-KGLIPLIRSA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001280094095 942416512 /nfs/dbraw/zinc/41/65/12/942416512.db2.gz HJVINSIDOIBFSQ-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001281489315 942584138 /nfs/dbraw/zinc/58/41/38/942584138.db2.gz DEQNLOUXRGXKKC-HNNXBMFYSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001283616937 942948603 /nfs/dbraw/zinc/94/86/03/942948603.db2.gz CWVCHDLIXKLIMW-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@H]12 ZINC001284068167 943068200 /nfs/dbraw/zinc/06/82/00/943068200.db2.gz DFYUNTVTHVHFBX-DOTOQJQBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001277645123 943209710 /nfs/dbraw/zinc/20/97/10/943209710.db2.gz RODLNRNTWDMMOX-GJZGRUSLSA-N 2 0 293.455 1.826 10 30 CDEERP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001284771182 943257858 /nfs/dbraw/zinc/25/78/58/943257858.db2.gz MIQIBEQPUFVSKW-NRXISQOPSA-N 2 0 299.434 1.821 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001263849870 944001564 /nfs/dbraw/zinc/00/15/64/944001564.db2.gz ZWZWRVLPXBJXSO-KFWWJZLASA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001263919393 944030584 /nfs/dbraw/zinc/03/05/84/944030584.db2.gz QXGWKVISPGNXOB-HRCADAONSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001264188763 944095359 /nfs/dbraw/zinc/09/53/59/944095359.db2.gz VIGKHPXUDFBACC-HNNXBMFYSA-N 2 0 288.395 1.219 10 30 CDEERP C=CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001265182755 944264484 /nfs/dbraw/zinc/26/44/84/944264484.db2.gz OJYUGFISGBBBBT-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001265632151 944451492 /nfs/dbraw/zinc/45/14/92/944451492.db2.gz CLLZBJUZRXWVKD-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001265673515 944465804 /nfs/dbraw/zinc/46/58/04/944465804.db2.gz HIAWCDUSEURFOH-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001265786437 944508668 /nfs/dbraw/zinc/50/86/68/944508668.db2.gz NIJFVSWMGQQBRM-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001266040983 944651549 /nfs/dbraw/zinc/65/15/49/944651549.db2.gz PTGXPASQCXABJQ-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001266057408 944658532 /nfs/dbraw/zinc/65/85/32/944658532.db2.gz GLIKRFHJCSHGPT-UHFFFAOYSA-N 2 0 298.390 1.718 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001266155885 944719808 /nfs/dbraw/zinc/71/98/08/944719808.db2.gz RIMGGSMHXUANAL-QWHCGFSZSA-N 2 0 255.406 1.387 10 30 CDEERP C=C(C)C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266174683 944732973 /nfs/dbraw/zinc/73/29/73/944732973.db2.gz QKEJYQBJVZGUKG-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278399453 947559025 /nfs/dbraw/zinc/55/90/25/947559025.db2.gz YSYWSWAQIPNQCW-KBPBESRZSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001479850752 971452354 /nfs/dbraw/zinc/45/23/54/971452354.db2.gz HFHIVFGSFDIIFB-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001479913879 971483850 /nfs/dbraw/zinc/48/38/50/971483850.db2.gz XBARQJLQZLZWTM-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001325579662 953971467 /nfs/dbraw/zinc/97/14/67/953971467.db2.gz BFQRXRXBWAXWPW-CVEARBPZSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001328278048 955249223 /nfs/dbraw/zinc/24/92/23/955249223.db2.gz GURFNOLYXMGPAG-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001328342950 955268789 /nfs/dbraw/zinc/26/87/89/955268789.db2.gz QZIJUVDPKBQJGH-LSDHHAIUSA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001328342595 955269482 /nfs/dbraw/zinc/26/94/82/955269482.db2.gz GNWQYESIFNNETG-UONOGXRCSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001493592075 972086377 /nfs/dbraw/zinc/08/63/77/972086377.db2.gz RVTQANULPXGOIC-KGLIPLIRSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001491830973 955456813 /nfs/dbraw/zinc/45/68/13/955456813.db2.gz CSQDXVRZGADSFQ-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC)CC1 ZINC001329202100 955753235 /nfs/dbraw/zinc/75/32/35/955753235.db2.gz HYSCLEGSHBTXGR-KGLIPLIRSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001493858915 972127815 /nfs/dbraw/zinc/12/78/15/972127815.db2.gz KAVIAWGPLWJEAG-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[N@@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C(C)C ZINC001493869597 972130994 /nfs/dbraw/zinc/13/09/94/972130994.db2.gz FMOADZRCUFGNPV-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001317322769 956115290 /nfs/dbraw/zinc/11/52/90/956115290.db2.gz NGNLUCQVAVAEQH-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494078199 972172773 /nfs/dbraw/zinc/17/27/73/972172773.db2.gz GZKLBJSAIIMDDM-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001330599979 956504922 /nfs/dbraw/zinc/50/49/22/956504922.db2.gz VWLKGJWPPKXLLP-BZUAXINKSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001494171921 972193348 /nfs/dbraw/zinc/19/33/48/972193348.db2.gz KZBZEHUOQGFOLH-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480742157 957182144 /nfs/dbraw/zinc/18/21/44/957182144.db2.gz GUALJZVURDSQLQ-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001316997992 957191861 /nfs/dbraw/zinc/19/18/61/957191861.db2.gz IFYIWXOJMGFNSE-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001317007742 957198061 /nfs/dbraw/zinc/19/80/61/957198061.db2.gz QFSJGTUJHHKNCD-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001317015814 957205368 /nfs/dbraw/zinc/20/53/68/957205368.db2.gz BINDNBPZUIREKR-ARFHVFGLSA-N 2 0 291.439 1.224 10 30 CDEERP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001317024032 957209990 /nfs/dbraw/zinc/20/99/90/957209990.db2.gz CVGZZQXIFUITNN-HUUCEWRRSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001317080556 957256776 /nfs/dbraw/zinc/25/67/76/957256776.db2.gz ZZAVKVHSICTANJ-KLHDSHLOSA-N 2 0 289.423 1.263 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001332325922 957518613 /nfs/dbraw/zinc/51/86/13/957518613.db2.gz DBCGDFBEDQZBAK-HZPDHXFCSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317981500 957838706 /nfs/dbraw/zinc/83/87/06/957838706.db2.gz LIWWOQOICMZSIT-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001318560716 958173871 /nfs/dbraw/zinc/17/38/71/958173871.db2.gz CONSESVROXJEKR-MELADBBJSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001318697891 958236555 /nfs/dbraw/zinc/23/65/55/958236555.db2.gz DPMWFFFAIDDRPV-FRFSOERESA-N 2 0 291.439 1.224 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001320453981 959180660 /nfs/dbraw/zinc/18/06/60/959180660.db2.gz KADHANZWDMKAIZ-OLZOCXBDSA-N 2 0 289.851 1.810 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001320769319 959378984 /nfs/dbraw/zinc/37/89/84/959378984.db2.gz HYJYCCJLMRAELY-CYBMUJFWSA-N 2 0 287.835 1.661 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001322041471 960062601 /nfs/dbraw/zinc/06/26/01/960062601.db2.gz GPDSPOMOGQTZJS-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001495395217 972486349 /nfs/dbraw/zinc/48/63/49/972486349.db2.gz DESNWWGFUDFFMI-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001324088161 961156435 /nfs/dbraw/zinc/15/64/35/961156435.db2.gz KWCKHLPCXFRKLK-LSDHHAIUSA-N 2 0 289.423 1.075 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001324175390 961216914 /nfs/dbraw/zinc/21/69/14/961216914.db2.gz MXYHZSNEAIAOLB-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001324225860 961248158 /nfs/dbraw/zinc/24/81/58/961248158.db2.gz NKMZISGLBYOBIP-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC001342345900 963716045 /nfs/dbraw/zinc/71/60/45/963716045.db2.gz DDAPHYBSNBKMBM-CYBMUJFWSA-N 2 0 289.379 1.554 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001342477599 963748205 /nfs/dbraw/zinc/74/82/05/963748205.db2.gz YGSVMAMLUOWCFE-OPRDCNLKSA-N 2 0 279.306 1.018 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC001346289767 965030668 /nfs/dbraw/zinc/03/06/68/965030668.db2.gz ZOOBGXHVCQRHEO-CJNGLKHVSA-N 2 0 292.427 1.160 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001495592453 972546424 /nfs/dbraw/zinc/54/64/24/972546424.db2.gz DMTYGCFRWILNBZ-CVEARBPZSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001569646137 1169951227 /nfs/dbraw/zinc/95/12/27/1169951227.db2.gz DUNKPRDOZFCAQW-HNNXBMFYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001496364758 972900136 /nfs/dbraw/zinc/90/01/36/972900136.db2.gz UGEAXCPGTLBDFQ-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001496366194 972901136 /nfs/dbraw/zinc/90/11/36/972901136.db2.gz ATXSVSUQJWOASA-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001496904940 973139171 /nfs/dbraw/zinc/13/91/71/973139171.db2.gz OTJAXLOQFQNBCJ-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001417982558 973514674 /nfs/dbraw/zinc/51/46/74/973514674.db2.gz JKDWXSHLZQYVPE-KBPBESRZSA-N 2 0 299.846 1.708 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001498832889 974071600 /nfs/dbraw/zinc/07/16/00/974071600.db2.gz QHRRQEVGSJYHFF-HZPDHXFCSA-N 2 0 293.455 1.920 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001499462039 974258036 /nfs/dbraw/zinc/25/80/36/974258036.db2.gz WXSIKAVJNFVQER-OKILXGFUSA-N 2 0 277.412 1.121 10 30 CDEERP C=CCC[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001500271443 974413935 /nfs/dbraw/zinc/41/39/35/974413935.db2.gz FYPHARORUBMGSZ-QGZVFWFLSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001500347521 974426291 /nfs/dbraw/zinc/42/62/91/974426291.db2.gz HVZHKBMJALAWFW-NVXWUHKLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001505443423 974880687 /nfs/dbraw/zinc/88/06/87/974880687.db2.gz JVMIQWZHPQLGKK-HRCADAONSA-N 2 0 291.439 1.273 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001505448290 974884140 /nfs/dbraw/zinc/88/41/40/974884140.db2.gz OIGAOFVPOPSTQT-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001505845436 974999272 /nfs/dbraw/zinc/99/92/72/974999272.db2.gz NJNDQHIXTCBAKY-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507026229 975298184 /nfs/dbraw/zinc/29/81/84/975298184.db2.gz ARUOXRUFRJMBMI-HIFRSBDPSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001507163078 975359786 /nfs/dbraw/zinc/35/97/86/975359786.db2.gz MVRKSJKWQYSDCW-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001492963309 976666630 /nfs/dbraw/zinc/66/66/30/976666630.db2.gz YMACPCBDZOQJCW-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691752167 1174001054 /nfs/dbraw/zinc/00/10/54/1174001054.db2.gz BXRRIUVTZYWVJV-CAOSSQGBSA-N 2 0 293.455 1.777 10 30 CDEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001675342710 1174103446 /nfs/dbraw/zinc/10/34/46/1174103446.db2.gz CNERTSWQNSDODI-GOEBONIOSA-N 2 0 295.471 1.975 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001676461408 1174229111 /nfs/dbraw/zinc/22/91/11/1174229111.db2.gz JWPSBGZKLVWVRL-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001676695754 1174256921 /nfs/dbraw/zinc/25/69/21/1174256921.db2.gz YRZDCLYXQJQUHX-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001676817444 1174277254 /nfs/dbraw/zinc/27/72/54/1174277254.db2.gz YHPJZTKPYATLRX-HOCLYGCPSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC001677032605 1174309140 /nfs/dbraw/zinc/30/91/40/1174309140.db2.gz HHSMZCHEEBJEIY-KBPBESRZSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001570275273 1170124690 /nfs/dbraw/zinc/12/46/90/1170124690.db2.gz TYMHGEIHEKOHPF-INIZCTEOSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001571192700 1170344453 /nfs/dbraw/zinc/34/44/53/1170344453.db2.gz OKESPQIQLRCFMA-JONQDZQNSA-N 2 0 293.455 1.777 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001571638647 1170504698 /nfs/dbraw/zinc/50/46/98/1170504698.db2.gz VUEYJKJLTZPXKP-UONOGXRCSA-N 2 0 281.444 1.635 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001671250950 1171093648 /nfs/dbraw/zinc/09/36/48/1171093648.db2.gz GXZCBKGXRJKWGF-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594440061 342906894 /nfs/dbraw/zinc/90/68/94/342906894.db2.gz YWXMLKQMEHWNOG-LSDHHAIUSA-N 2 0 294.443 1.730 10 30 CDEERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594441302 342907542 /nfs/dbraw/zinc/90/75/42/342907542.db2.gz QPNGPHKHUIYCNY-UONOGXRCSA-N 2 0 280.416 1.244 10 30 CDEERP CC(C)C[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594446780 342908686 /nfs/dbraw/zinc/90/86/86/342908686.db2.gz XMDOEKXXXOBNBQ-AWEZNQCLSA-N 2 0 280.416 1.198 10 30 CDEERP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595936586 343201685 /nfs/dbraw/zinc/20/16/85/343201685.db2.gz OHHLCDXCJAFNLE-LSDHHAIUSA-N 2 0 292.427 1.246 10 30 CDEERP C[NH+](C)CCC[C@@H]1CN(CCC(C)(C)C#N)CCO1 ZINC000595905661 343188511 /nfs/dbraw/zinc/18/85/11/343188511.db2.gz FJAWUADXLFIVBO-CQSZACIVSA-N 2 0 267.417 1.969 10 30 CDEERP C=CC[C@]1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCC[NH2+]1 ZINC000621699841 350729100 /nfs/dbraw/zinc/72/91/00/350729100.db2.gz CQRSIBYYSFPWPZ-AEGPPILISA-N 2 0 263.385 1.025 10 30 CDEERP CN(C)CC[N@H+](C)CCCN(C)Cc1nc(C#N)cs1 ZINC000356317664 364661630 /nfs/dbraw/zinc/66/16/30/364661630.db2.gz KNHJIYALKHBZTA-UHFFFAOYSA-N 2 0 295.456 1.330 10 30 CDEERP C=C(C)C[C@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000545247419 369174883 /nfs/dbraw/zinc/17/48/83/369174883.db2.gz LOAJAONXUHYXIG-AWEZNQCLSA-N 2 0 269.433 1.541 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001661673937 1172425713 /nfs/dbraw/zinc/42/57/13/1172425713.db2.gz LGKMFFNGGCASSB-WCVJEAGWSA-N 2 0 293.455 1.920 10 30 CDEERP C[C@@H]([NH3+])[C@@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423454802 374383679 /nfs/dbraw/zinc/38/36/79/374383679.db2.gz ZPHKMOTYZBAAMN-ZIAGYGMSSA-N 2 0 286.423 1.848 10 30 CDEERP COC[C@@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@H]1COC ZINC000671241959 541978455 /nfs/dbraw/zinc/97/84/55/541978455.db2.gz VMKTXMFDSKPEKU-HOTGVXAUSA-N 2 0 280.412 1.211 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001662631288 1172572450 /nfs/dbraw/zinc/57/24/50/1172572450.db2.gz WLWMGQMPJMLUBT-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[C@]1(C(=O)NCC([NH3+])(CC)CC)CCC[NH2+]1 ZINC000662426557 413003239 /nfs/dbraw/zinc/00/32/39/413003239.db2.gz UWEKURMDXFDFAU-CQSZACIVSA-N 2 0 253.390 1.318 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC001584670757 1172843855 /nfs/dbraw/zinc/84/38/55/1172843855.db2.gz HXXTTWQFAOACIT-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001664467116 1172857366 /nfs/dbraw/zinc/85/73/66/1172857366.db2.gz FJUMPFXOQNZGSA-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[C@]1(C(=O)Nc2ccc(C[NH3+])cc2)CCC[NH2+]1 ZINC000662765611 413459327 /nfs/dbraw/zinc/45/93/27/413459327.db2.gz BOTBGBWQMDISAJ-OAHLLOKOSA-N 2 0 259.353 1.782 10 30 CDEERP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C ZINC000662090111 414508081 /nfs/dbraw/zinc/50/80/81/414508081.db2.gz JOBBSBCNHREZTH-ZNMIVQPWSA-N 2 0 252.402 1.871 10 30 CDEERP [NH3+]CC#Cc1ccsc1C[N@@H+]1CCC[C@H]1CO ZINC000043683944 175092256 /nfs/dbraw/zinc/09/22/56/175092256.db2.gz HTMPHFIBQBEBJK-LBPRGKRZSA-N 2 0 250.367 1.015 10 30 CDEERP N#Cc1ccccc1NC(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000044514277 175189375 /nfs/dbraw/zinc/18/93/75/175189375.db2.gz UOOKVOTWCODCDX-UHFFFAOYSA-N 2 0 286.379 1.558 10 30 CDEERP C[N@@H+](Cc1cccc(C#CCO)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071190504 176066491 /nfs/dbraw/zinc/06/64/91/176066491.db2.gz WHXBKRUGYKTAMF-QGZVFWFLSA-N 2 0 272.392 1.414 10 30 CDEERP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC001666500976 1173138588 /nfs/dbraw/zinc/13/85/88/1173138588.db2.gz HEGULMVFNZFAMV-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001666553048 1173150155 /nfs/dbraw/zinc/15/01/55/1173150155.db2.gz NUVZSSOCISNNJO-HZSPNIEDSA-N 2 0 267.417 1.245 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001667306253 1173251247 /nfs/dbraw/zinc/25/12/47/1173251247.db2.gz AWTOFMWAAIDJQI-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C[NH+](C)CCCN(CCC#N)C(=O)CC1CC[NH+](C)CC1 ZINC000362624421 267024692 /nfs/dbraw/zinc/02/46/92/267024692.db2.gz SHSWVCIDSXANOL-UHFFFAOYSA-N 2 0 294.443 1.412 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)C(C)C ZINC001667519611 1173278262 /nfs/dbraw/zinc/27/82/62/1173278262.db2.gz JQNSRFLYPKHZBD-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001668324439 1173395329 /nfs/dbraw/zinc/39/53/29/1173395329.db2.gz BEVBYQAXABEDGA-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001668904724 1173478056 /nfs/dbraw/zinc/47/80/56/1173478056.db2.gz GCDLMUYPJNSLNH-LLYBFZRZSA-N 2 0 279.428 1.555 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001672326510 1173765675 /nfs/dbraw/zinc/76/56/75/1173765675.db2.gz CQYKQWNVUJBRAS-CVEARBPZSA-N 2 0 295.471 1.979 10 30 CDEERP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262476436 330016141 /nfs/dbraw/zinc/01/61/41/330016141.db2.gz QHKZFGCMXDBSFP-CABCVRRESA-N 2 0 296.459 1.532 10 30 CDEERP C[NH+]=C(NC1CCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262756817 330029652 /nfs/dbraw/zinc/02/96/52/330029652.db2.gz BSECQVNZFBEAIY-CYBMUJFWSA-N 2 0 264.417 1.532 10 30 CDEERP C[NH+]=C(NC1CCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262764315 330029996 /nfs/dbraw/zinc/02/99/96/330029996.db2.gz FIWICNCWUSFOEH-CYBMUJFWSA-N 2 0 264.417 1.721 10 30 CDEERP CC[NH+](CC)[C@@H]1CCN(C(NC[C@@H]2CCC[C@H]2O)=[NH+]C)C1 ZINC000262796180 330032044 /nfs/dbraw/zinc/03/20/44/330032044.db2.gz POMGLBGZVIDFSG-RRFJBIMHSA-N 2 0 296.459 1.139 10 30 CDEERP CC[NH+]=C(NC1CCC1)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000262798875 330032185 /nfs/dbraw/zinc/03/21/85/330032185.db2.gz QMCRJXCEZMYOCX-CQSZACIVSA-N 2 0 266.433 1.921 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000424167548 330309934 /nfs/dbraw/zinc/30/99/34/330309934.db2.gz CRCFYHXPJPBSCO-AJNGGQMLSA-N 2 0 250.386 1.794 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001691473758 1159333860 /nfs/dbraw/zinc/33/38/60/1159333860.db2.gz HHPWUEMSNTXNLJ-AWEZNQCLSA-N 2 0 267.417 1.178 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001717477643 1180695245 /nfs/dbraw/zinc/69/52/45/1180695245.db2.gz BLVDNFBNQHQYDW-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP CC[N@@H+](Cc1ccccc1C#CC[NH3+])C[C@@H]1CCCO1 ZINC000049609556 521376268 /nfs/dbraw/zinc/37/62/68/521376268.db2.gz XXJHRDJVHHWUDR-KRWDZBQOSA-N 2 0 272.392 1.998 10 30 CDEERP C[NH+](C)C[C@H]1CCCN1Cc1ccccc1C#CC[NH3+] ZINC000061652290 521872207 /nfs/dbraw/zinc/87/22/07/521872207.db2.gz SFQXJGRCXZGRPK-QGZVFWFLSA-N 2 0 271.408 1.523 10 30 CDEERP C[C@H](CC#N)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771558206 575590097 /nfs/dbraw/zinc/59/00/97/575590097.db2.gz WNEHWKOOMIHQRU-CQSZACIVSA-N 2 0 285.395 1.664 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001690198007 1175401451 /nfs/dbraw/zinc/40/14/51/1175401451.db2.gz ZIUWAXOUFVLDGV-JKSUJKDBSA-N 2 0 293.455 1.685 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940618192 613580563 /nfs/dbraw/zinc/58/05/63/613580563.db2.gz QBHOGRPJCCIVSF-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923363223 618322669 /nfs/dbraw/zinc/32/26/69/618322669.db2.gz AMKLQQQZIZGRFV-QLFBSQMISA-N 2 0 252.402 1.778 10 30 CDEERP C=CCC[C@H](O)C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000923424569 618329813 /nfs/dbraw/zinc/32/98/13/618329813.db2.gz GIIUVYMWTVDIOC-DCAQKATOSA-N 2 0 266.307 1.383 10 30 CDEERP N#Cc1ccc([C@@H](O)CN2CC[NH2+]CCC23CCC3)cc1 ZINC000923427439 618334510 /nfs/dbraw/zinc/33/45/10/618334510.db2.gz SPQKCMVJCZDSNP-INIZCTEOSA-N 2 0 285.391 1.810 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000900273497 622860238 /nfs/dbraw/zinc/86/02/38/622860238.db2.gz ZTOWDVRARXJFPW-ZDUSSCGKSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000900427197 623038894 /nfs/dbraw/zinc/03/88/94/623038894.db2.gz VAVDUSUALKHMBR-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000900823061 623528646 /nfs/dbraw/zinc/52/86/46/623528646.db2.gz SIOJMCDXMIPSTJ-GJZGRUSLSA-N 2 0 281.444 1.683 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000901284300 624109969 /nfs/dbraw/zinc/10/99/69/624109969.db2.gz ADFIONKAXPAIHF-CHWSQXEVSA-N 2 0 253.390 1.045 10 30 CDEERP N#CC1CCC(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000903422907 625993811 /nfs/dbraw/zinc/99/38/11/625993811.db2.gz MPTGGTZXIKRLPS-NRXISQOPSA-N 2 0 292.427 1.103 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000909019215 628481943 /nfs/dbraw/zinc/48/19/43/628481943.db2.gz HPBHFRKCNXVTKD-UHFFFAOYSA-N 2 0 269.433 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001670556410 1158645088 /nfs/dbraw/zinc/64/50/88/1158645088.db2.gz LFNVHRWETQYBSL-CVEARBPZSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001691117383 1158918521 /nfs/dbraw/zinc/91/85/21/1158918521.db2.gz ROOVBYNLQMDBBQ-IYBDPMFKSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001691150619 1158935622 /nfs/dbraw/zinc/93/56/22/1158935622.db2.gz RTKKTEIJZCUIIK-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691268277 1158985740 /nfs/dbraw/zinc/98/57/40/1158985740.db2.gz ISONOJISZPRAFV-ARFHVFGLSA-N 2 0 293.455 1.779 10 30 CDEERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000870989101 1165249493 /nfs/dbraw/zinc/24/94/93/1165249493.db2.gz FDXOJNMTPSJZSP-CJNGLKHVSA-N 2 0 294.443 1.621 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876842806 1165925654 /nfs/dbraw/zinc/92/56/54/1165925654.db2.gz LQLYSLUBBVDOJN-DGCLKSJQSA-N 2 0 271.792 1.058 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(C)C ZINC000876873604 1165931433 /nfs/dbraw/zinc/93/14/33/1165931433.db2.gz LKCBHCFUKJHYMB-LBPRGKRZSA-N 2 0 275.824 1.503 10 30 CDEERP C[C@H]1C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC[N@@H+]1C ZINC000354817475 1167338319 /nfs/dbraw/zinc/33/83/19/1167338319.db2.gz YFOSWVXOYMDJCM-GJZGRUSLSA-N 2 0 294.443 1.411 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001566712541 1168396278 /nfs/dbraw/zinc/39/62/78/1168396278.db2.gz LRCTVBIDYPVNNH-HRCADAONSA-N 2 0 293.455 1.777 10 30 CDEERP CC#CC[NH2+]C1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001566987695 1168489786 /nfs/dbraw/zinc/48/97/86/1168489786.db2.gz KOBBZJLZHRSQPB-FHERZECASA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567838553 1169006518 /nfs/dbraw/zinc/00/65/18/1169006518.db2.gz DVJWCLLWRBLVMU-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568172088 1169160723 /nfs/dbraw/zinc/16/07/23/1169160723.db2.gz NQUTWPUMKFQWLX-GDBMZVCRSA-N 2 0 293.455 1.636 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001568183349 1169166041 /nfs/dbraw/zinc/16/60/41/1169166041.db2.gz OIHHDBIJBAARDN-CYBMUJFWSA-N 2 0 299.378 1.409 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001569211664 1169722680 /nfs/dbraw/zinc/72/26/80/1169722680.db2.gz LBIHTGNPAUPAOL-AWEZNQCLSA-N 2 0 269.433 1.587 10 30 CDEERP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001569656010 1169955475 /nfs/dbraw/zinc/95/54/75/1169955475.db2.gz ZZDRLEBFOFWGQN-QGZVFWFLSA-N 2 0 291.439 1.466 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001570374985 1170146629 /nfs/dbraw/zinc/14/66/29/1170146629.db2.gz GXKMFJYSFDLRKF-AWEZNQCLSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC=C)CC1 ZINC001570654063 1170224132 /nfs/dbraw/zinc/22/41/32/1170224132.db2.gz ZNIYOTHMKOPJKX-CABCVRRESA-N 2 0 291.439 1.391 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001570851507 1170300611 /nfs/dbraw/zinc/30/06/11/1170300611.db2.gz CGILZXPIRJQTLB-ZIAGYGMSSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001661817817 1172451233 /nfs/dbraw/zinc/45/12/33/1172451233.db2.gz CBAJEPFEJHVMBU-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001664813012 1172914259 /nfs/dbraw/zinc/91/42/59/1172914259.db2.gz WSVXSSQDYULWFS-AWEZNQCLSA-N 2 0 288.395 1.146 10 30 CDEERP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001666290812 1173124769 /nfs/dbraw/zinc/12/47/69/1173124769.db2.gz DDLGJOPRMSEVEE-RBSFLKMASA-N 2 0 297.418 1.317 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001666606294 1173160899 /nfs/dbraw/zinc/16/08/99/1173160899.db2.gz YJGAUIWGSWMJAQ-HOTGVXAUSA-N 2 0 293.455 1.474 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001672911170 1173806870 /nfs/dbraw/zinc/80/68/70/1173806870.db2.gz QSPCMVOXVYGGMU-CQSZACIVSA-N 2 0 265.401 1.096 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001677306531 1174346241 /nfs/dbraw/zinc/34/62/41/1174346241.db2.gz KUMXBLDYACCRIF-UONOGXRCSA-N 2 0 279.428 1.082 10 30 CDEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001689110072 1175098822 /nfs/dbraw/zinc/09/88/22/1175098822.db2.gz FLBAQGJJIVKYQA-OAGGEKHMSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001690469891 1175478442 /nfs/dbraw/zinc/47/84/42/1175478442.db2.gz GUGXESQRTZALMV-BZUAXINKSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001690787381 1175572266 /nfs/dbraw/zinc/57/22/66/1175572266.db2.gz HUPMPJCWVNJJMR-GJZGRUSLSA-N 2 0 279.428 1.367 10 30 CDEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001690872463 1175596549 /nfs/dbraw/zinc/59/65/49/1175596549.db2.gz IVHUSYSDURXMQU-HUUCEWRRSA-N 2 0 291.439 1.485 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001691917463 1175651735 /nfs/dbraw/zinc/65/17/35/1175651735.db2.gz HTJMNESWNSYNTD-HRCADAONSA-N 2 0 291.439 1.226 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001698597384 1175864176 /nfs/dbraw/zinc/86/41/76/1175864176.db2.gz QCSGPIGHLPGMGV-HUUCEWRRSA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001698759300 1175922080 /nfs/dbraw/zinc/92/20/80/1175922080.db2.gz AJZOHVGFQIFBDI-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001699193175 1176134282 /nfs/dbraw/zinc/13/42/82/1176134282.db2.gz ULESMEPCVNLSRB-UHFFFAOYSA-N 2 0 265.401 1.239 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699440399 1176405252 /nfs/dbraw/zinc/40/52/52/1176405252.db2.gz DAHBCRZLQFLLCN-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001699467288 1176429326 /nfs/dbraw/zinc/42/93/26/1176429326.db2.gz ILNBULNSFWCDSZ-CQSZACIVSA-N 2 0 267.417 1.178 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001699602517 1176495755 /nfs/dbraw/zinc/49/57/55/1176495755.db2.gz MFBWUILTMDVQAB-JKSUJKDBSA-N 2 0 293.455 1.777 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001699661434 1176556533 /nfs/dbraw/zinc/55/65/33/1176556533.db2.gz RTZHGLLOFMSUGW-UHFFFAOYSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001700196392 1176795358 /nfs/dbraw/zinc/79/53/58/1176795358.db2.gz XULNZXLHZXPVLX-LSDHHAIUSA-N 2 0 281.444 1.683 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001700321030 1176849338 /nfs/dbraw/zinc/84/93/38/1176849338.db2.gz VRBTWWXNKROTFP-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001700630921 1177043719 /nfs/dbraw/zinc/04/37/19/1177043719.db2.gz IJYCEHIJTKUMMG-SHTZXODSSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)CCC ZINC001707057169 1177930822 /nfs/dbraw/zinc/93/08/22/1177930822.db2.gz YMRKTGLQIPQLAT-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001707451979 1178054264 /nfs/dbraw/zinc/05/42/64/1178054264.db2.gz MVKXNNWENONEII-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001707482446 1178074350 /nfs/dbraw/zinc/07/43/50/1178074350.db2.gz NPHBZUJVUAGIJO-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001712947702 1178259194 /nfs/dbraw/zinc/25/91/94/1178259194.db2.gz IREFRERBHRKMAP-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001713219648 1178439568 /nfs/dbraw/zinc/43/95/68/1178439568.db2.gz UTHWLTZQKRJKMO-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001713388674 1178532777 /nfs/dbraw/zinc/53/27/77/1178532777.db2.gz CNQHLLBQTMNTDK-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001713634160 1178690120 /nfs/dbraw/zinc/69/01/20/1178690120.db2.gz JSCCSBZJETVZHG-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713755997 1178740395 /nfs/dbraw/zinc/74/03/95/1178740395.db2.gz LVAQKTCIPZXRQX-OAHLLOKOSA-N 2 0 293.455 1.685 10 30 CDEERP C=CC[NH+]1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CCC)C1 ZINC001714050908 1178947364 /nfs/dbraw/zinc/94/73/64/1178947364.db2.gz WMCNKTHSQMTCDK-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001714248066 1179044751 /nfs/dbraw/zinc/04/47/51/1179044751.db2.gz BOTCYYVYVQWKQJ-GFCCVEGCSA-N 2 0 286.379 1.927 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001714406600 1179126885 /nfs/dbraw/zinc/12/68/85/1179126885.db2.gz GTASXYUUSFYLDV-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001714583487 1179241159 /nfs/dbraw/zinc/24/11/59/1179241159.db2.gz ALIXJVXBFROJMS-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001714804905 1179405823 /nfs/dbraw/zinc/40/58/23/1179405823.db2.gz LMJOQZANYCEXLI-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001714867254 1179428116 /nfs/dbraw/zinc/42/81/16/1179428116.db2.gz NMCCZHCESKUSQU-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715317611 1179620785 /nfs/dbraw/zinc/62/07/85/1179620785.db2.gz UXHCEGJPUPUOQQ-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715368856 1179645799 /nfs/dbraw/zinc/64/57/99/1179645799.db2.gz KWBXRFKFMKGXCQ-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001715506945 1179687175 /nfs/dbraw/zinc/68/71/75/1179687175.db2.gz NTENPSOCCXVTGL-GJZGRUSLSA-N 2 0 281.444 1.326 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001715537037 1179706723 /nfs/dbraw/zinc/70/67/23/1179706723.db2.gz NQRSQNCMVOYSOU-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001715909839 1179908606 /nfs/dbraw/zinc/90/86/06/1179908606.db2.gz BTVYRTMJSXGYFM-YVACAVLKSA-N 2 0 279.428 1.555 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716139767 1180068471 /nfs/dbraw/zinc/06/84/71/1180068471.db2.gz HJQYWQILFFWDIZ-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001716146363 1180071136 /nfs/dbraw/zinc/07/11/36/1180071136.db2.gz ZNKXVZYSGCNSJE-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001716244212 1180116697 /nfs/dbraw/zinc/11/66/97/1180116697.db2.gz QPYDCDKUNAHEPY-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)C[NH+]1CCC(C)CC1 ZINC001716245881 1180118197 /nfs/dbraw/zinc/11/81/97/1180118197.db2.gz RSIMABIHBYQCTR-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001716366454 1180170892 /nfs/dbraw/zinc/17/08/92/1180170892.db2.gz BRHCMFJNGBKCEN-OOPCZODUSA-N 2 0 285.819 1.343 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001716671609 1180354961 /nfs/dbraw/zinc/35/49/61/1180354961.db2.gz QZVVHSVOWLBAPJ-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716777599 1180411510 /nfs/dbraw/zinc/41/15/10/1180411510.db2.gz QQEYBOGHKQFIGS-QLFBSQMISA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001717476835 1180695997 /nfs/dbraw/zinc/69/59/97/1180695997.db2.gz UPIYBWBWQIBHNZ-KBPBESRZSA-N 2 0 269.433 1.585 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001717530947 1180725343 /nfs/dbraw/zinc/72/53/43/1180725343.db2.gz ZRZBQKMWPHNIPV-HRCADAONSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001717543045 1180729747 /nfs/dbraw/zinc/72/97/47/1180729747.db2.gz QIIFDQJYZCGKQM-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001717758235 1180832506 /nfs/dbraw/zinc/83/25/06/1180832506.db2.gz WBOODEFXCWPKBO-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001717985474 1180957153 /nfs/dbraw/zinc/95/71/53/1180957153.db2.gz LFZGBOCMBRUDIV-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC=C)CC1 ZINC001724054776 1181632344 /nfs/dbraw/zinc/63/23/44/1181632344.db2.gz YATIBZBONRPOTB-UHFFFAOYSA-N 2 0 277.412 1.050 10 30 CDEERP C#CCC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001724162147 1181646270 /nfs/dbraw/zinc/64/62/70/1181646270.db2.gz MYYWHQLTECDWJU-INIZCTEOSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)C2 ZINC001724597556 1181699878 /nfs/dbraw/zinc/69/98/78/1181699878.db2.gz BSXJOGMRVWOICC-MUJYYYPQSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001724644732 1181715075 /nfs/dbraw/zinc/71/50/75/1181715075.db2.gz BMIWCLBEKQIZDN-CVEARBPZSA-N 2 0 293.455 1.968 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]cn2)CCC1 ZINC001724797581 1181757464 /nfs/dbraw/zinc/75/74/64/1181757464.db2.gz VAMNLJNJCAAGMX-CYBMUJFWSA-N 2 0 288.395 1.240 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001725042881 1181833417 /nfs/dbraw/zinc/83/34/17/1181833417.db2.gz QPTAIXHRGSPZOL-JKSUJKDBSA-N 2 0 293.455 1.968 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001725595859 1182067475 /nfs/dbraw/zinc/06/74/75/1182067475.db2.gz PRVZGXJHIAQFLX-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001725649391 1182087429 /nfs/dbraw/zinc/08/74/29/1182087429.db2.gz GYZBRGPRGXEEHP-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001731362972 1182335747 /nfs/dbraw/zinc/33/57/47/1182335747.db2.gz LTBFMADTCDLFGH-HNNXBMFYSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001731466805 1182400814 /nfs/dbraw/zinc/40/08/14/1182400814.db2.gz DUTLHBGEBPPRQC-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001731664037 1182509002 /nfs/dbraw/zinc/50/90/02/1182509002.db2.gz TUCDMOFLACAXTP-OAHLLOKOSA-N 2 0 291.439 1.629 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001732147329 1182803934 /nfs/dbraw/zinc/80/39/34/1182803934.db2.gz MGGICIUTTUOBEZ-PMPSAXMXSA-N 2 0 293.455 1.968 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001732278774 1182892869 /nfs/dbraw/zinc/89/28/69/1182892869.db2.gz GFBPGFCZCMHVOQ-DOTOQJQBSA-N 2 0 291.439 1.389 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001732703086 1183091492 /nfs/dbraw/zinc/09/14/92/1183091492.db2.gz TUMSOABBJCSSBH-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001732748629 1183107536 /nfs/dbraw/zinc/10/75/36/1183107536.db2.gz ZNSKPIANOATGFY-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001733298268 1183384551 /nfs/dbraw/zinc/38/45/51/1183384551.db2.gz URGAQYWCKGDUKX-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001733773152 1183528727 /nfs/dbraw/zinc/52/87/27/1183528727.db2.gz WNCSHBOEOSUQEN-ZIAGYGMSSA-N 2 0 267.417 1.293 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001733902247 1183563447 /nfs/dbraw/zinc/56/34/47/1183563447.db2.gz UOZPFWAHAORCFK-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001733954088 1183582605 /nfs/dbraw/zinc/58/26/05/1183582605.db2.gz ZVGXUEUNWQHFPR-RUXDESIVSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001734173899 1183682058 /nfs/dbraw/zinc/68/20/58/1183682058.db2.gz LIACTLRRTGBAFK-PHZGNYQRSA-N 2 0 291.439 1.342 10 30 CDEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001734295115 1183716785 /nfs/dbraw/zinc/71/67/85/1183716785.db2.gz JFSKYFRIUJKMQH-INIZCTEOSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001734312635 1183723817 /nfs/dbraw/zinc/72/38/17/1183723817.db2.gz UNNKNDJBVZVUIL-AWEZNQCLSA-N 2 0 277.412 1.095 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001734463445 1183787468 /nfs/dbraw/zinc/78/74/68/1183787468.db2.gz WFCJMGKYXLNOIJ-KGLIPLIRSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC001626247089 1165927153 /nfs/dbraw/zinc/92/71/53/1165927153.db2.gz SGTQJOSVNWAZME-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C[NH+](CC)CC ZINC001626751149 1165956190 /nfs/dbraw/zinc/95/61/90/1165956190.db2.gz VIBQNZHUOWMQHF-UHFFFAOYSA-N 2 0 255.406 1.295 10 30 CDEERP C[N@H+](CCc1cccc(C#N)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000866698500 783620682 /nfs/dbraw/zinc/62/06/82/783620682.db2.gz WOCFRAOIOLAHQP-MRXNPFEDSA-N 2 0 285.391 1.554 10 30 CDEERP C[C@@H]1CNC(NN=C2CC[N@H+](Cc3ccccc3)C[C@@H]2C)=[NH+]1 ZINC000779802571 784036340 /nfs/dbraw/zinc/03/63/40/784036340.db2.gz ITWQIZRNGLPIJB-UONOGXRCSA-N 2 0 299.422 1.822 10 30 CDEERP C[NH+]=C(NC[C@@H]1CCCS1)NC[C@@H]1CCC[N@@H+]1C ZINC000261970962 784190781 /nfs/dbraw/zinc/19/07/81/784190781.db2.gz MVOGXPMZWUXXMA-RYUDHWBXSA-N 2 0 270.446 1.141 10 30 CDEERP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1CC[NH3+] ZINC000723901808 784678543 /nfs/dbraw/zinc/67/85/43/784678543.db2.gz KNYKYVXYZOHVEJ-DAXOMENPSA-N 2 0 273.380 1.508 10 30 CDEERP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)C[NH+]1CCCCC1 ZINC000303261668 784950921 /nfs/dbraw/zinc/95/09/21/784950921.db2.gz OSCYDNTWQYAWQJ-KGLIPLIRSA-N 2 0 282.432 1.192 10 30 CDEERP C#CCCNC(N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)=[NH+]CC ZINC000261995350 785503116 /nfs/dbraw/zinc/50/31/16/785503116.db2.gz SGEJKPXOFOYPSU-UONOGXRCSA-N 2 0 264.417 1.294 10 30 CDEERP [NH3+]C[C@H](NC(=O)C#CC1CC[NH2+]CC1)C1CCCCC1 ZINC000852796573 785581324 /nfs/dbraw/zinc/58/13/24/785581324.db2.gz FOKCYLCTLLZZHI-HNNXBMFYSA-N 2 0 277.412 1.013 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000876938711 785967409 /nfs/dbraw/zinc/96/74/09/785967409.db2.gz OJYUILQKDIMYJS-LBPRGKRZSA-N 2 0 267.760 1.231 10 30 CDEERP N#Cc1ccc2c(c1)[C@H]([NH2+]CCN1CCC([NH3+])CC1)CC2 ZINC000925816040 786012104 /nfs/dbraw/zinc/01/21/04/786012104.db2.gz CNEYZQWYGQDFCQ-QGZVFWFLSA-N 2 0 284.407 1.558 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000876794454 786847169 /nfs/dbraw/zinc/84/71/69/786847169.db2.gz WDRYYIQQSBQMHK-PWSUYJOCSA-N 2 0 294.786 1.306 10 30 CDEERP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000863552049 787111486 /nfs/dbraw/zinc/11/14/86/787111486.db2.gz OXGNHSQPJDEMBH-MCIONIFRSA-N 2 0 265.401 1.504 10 30 CDEERP C=C1CCC(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000724458644 787369545 /nfs/dbraw/zinc/36/95/45/787369545.db2.gz OOUIFHUNJMIAPE-HNNXBMFYSA-N 2 0 252.402 1.779 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000852885218 787557045 /nfs/dbraw/zinc/55/70/45/787557045.db2.gz SYHNVXGADPZTQK-UHFFFAOYSA-N 2 0 289.423 1.123 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000876927936 787802176 /nfs/dbraw/zinc/80/21/76/787802176.db2.gz PBLVDOIQCCKXAD-VGDYDELISA-N 2 0 273.808 1.288 10 30 CDEERP C[NH+]1CCC(O)(C[NH2+]CC#Cc2ccccc2)CC1 ZINC000397535161 788030361 /nfs/dbraw/zinc/03/03/61/788030361.db2.gz GXYZVVSCGPAXOR-UHFFFAOYSA-N 2 0 258.365 1.084 10 30 CDEERP C[NH+]=C(NCC1CC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261951548 788055098 /nfs/dbraw/zinc/05/50/98/788055098.db2.gz HNQJLRPUBHYTNH-WCQYABFASA-N 2 0 252.406 1.290 10 30 CDEERP C=CC[C@@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000878230395 788182939 /nfs/dbraw/zinc/18/29/39/788182939.db2.gz KMFIEXCLBLVWHB-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCNCc2ccccc21 ZINC000876523837 788283796 /nfs/dbraw/zinc/28/37/96/788283796.db2.gz DXBJXJLWEVMNRL-LBPRGKRZSA-N 2 0 279.771 1.593 10 30 CDEERP C=CC[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000714994621 788802217 /nfs/dbraw/zinc/80/22/17/788802217.db2.gz ACIWOJFHOXLKAU-KKUMJFAQSA-N 2 0 279.428 1.531 10 30 CDEERP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000303989033 788814640 /nfs/dbraw/zinc/81/46/40/788814640.db2.gz XHJZJLSRDFEVKI-CQSZACIVSA-N 2 0 282.432 1.144 10 30 CDEERP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CCC1(C)C ZINC000712620713 789035874 /nfs/dbraw/zinc/03/58/74/789035874.db2.gz BEGUTWYACUEKCN-ZDUSSCGKSA-N 2 0 280.416 1.340 10 30 CDEERP C=CC[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000878230396 789190090 /nfs/dbraw/zinc/19/00/90/789190090.db2.gz KMFIEXCLBLVWHB-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000877977468 789304746 /nfs/dbraw/zinc/30/47/46/789304746.db2.gz XWUUHBGTJIJJSJ-UHFFFAOYSA-N 2 0 253.390 1.093 10 30 CDEERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000261763777 789771381 /nfs/dbraw/zinc/77/13/81/789771381.db2.gz LTPVCAVFQHBZRR-KBPBESRZSA-N 2 0 296.459 1.580 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000876717036 789812177 /nfs/dbraw/zinc/81/21/77/789812177.db2.gz UGSDFDQQMWUUJI-GFCCVEGCSA-N 2 0 271.792 1.199 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001566785074 1168420932 /nfs/dbraw/zinc/42/09/32/1168420932.db2.gz CFRXBKWUIKHUOQ-KBUPBQIOSA-N 2 0 279.428 1.672 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001266423061 894796082 /nfs/dbraw/zinc/79/60/82/894796082.db2.gz ZZZVPJAVVJCGCU-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001266569058 895396172 /nfs/dbraw/zinc/39/61/72/895396172.db2.gz YPINETUGHRPRDR-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266604322 895516744 /nfs/dbraw/zinc/51/67/44/895516744.db2.gz ZVWJHIDQDHQVJO-SHTZXODSSA-N 2 0 291.439 1.818 10 30 CDEERP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001267112235 896822401 /nfs/dbraw/zinc/82/24/01/896822401.db2.gz WXCVDMHMXWABQA-JKSUJKDBSA-N 2 0 293.455 1.663 10 30 CDEERP CC#CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001480995615 898447686 /nfs/dbraw/zinc/44/76/86/898447686.db2.gz XILZZLCBPZDCNV-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001267585411 898565022 /nfs/dbraw/zinc/56/50/22/898565022.db2.gz VJOUCAGUEMOMPN-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267594245 898638047 /nfs/dbraw/zinc/63/80/47/898638047.db2.gz BSAYPXGPGRNGRS-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001481122826 898935070 /nfs/dbraw/zinc/93/50/70/898935070.db2.gz LTNBOMGDWIRHEX-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001481230543 899519528 /nfs/dbraw/zinc/51/95/28/899519528.db2.gz VSRLKDAQUYWOSZ-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001267844505 899857941 /nfs/dbraw/zinc/85/79/41/899857941.db2.gz LDQILTOEFIPWCT-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001267955512 900062052 /nfs/dbraw/zinc/06/20/52/900062052.db2.gz XCJSZTLDHCYJSB-HZPDHXFCSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267992720 900212554 /nfs/dbraw/zinc/21/25/54/900212554.db2.gz VMGYGBRJGAXTDN-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001567736397 1168941278 /nfs/dbraw/zinc/94/12/78/1168941278.db2.gz LPLLGGWWFCFEIL-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001268217893 901589388 /nfs/dbraw/zinc/58/93/88/901589388.db2.gz DUKHYUMBDYSWOR-JYJNAYRXSA-N 2 0 293.455 1.470 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001268254892 901678601 /nfs/dbraw/zinc/67/86/01/901678601.db2.gz GMEHUDHSRUGGGD-GJZGRUSLSA-N 2 0 281.444 1.683 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001268427334 902041300 /nfs/dbraw/zinc/04/13/00/902041300.db2.gz WABLLOZXBXJHFC-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)C[NH+]1CCCC1 ZINC001481879530 902264832 /nfs/dbraw/zinc/26/48/32/902264832.db2.gz UMTIDZNTRAIPJZ-ZDUSSCGKSA-N 2 0 253.390 1.143 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001269275586 903639986 /nfs/dbraw/zinc/63/99/86/903639986.db2.gz TWUIRIRMURKKNV-AWEZNQCLSA-N 2 0 281.444 1.683 10 30 CDEERP C=CCCC[NH+]1CC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001269293725 903667597 /nfs/dbraw/zinc/66/75/97/903667597.db2.gz ZNUXPVMUZQRXQR-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001269345399 903723721 /nfs/dbraw/zinc/72/37/21/903723721.db2.gz PTQNRGPLQCIYIW-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001269597890 903966648 /nfs/dbraw/zinc/96/66/48/903966648.db2.gz QKTWJODXZUTDFA-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001317547298 904386136 /nfs/dbraw/zinc/38/61/36/904386136.db2.gz LVYZWMVIELGQRE-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001271012251 905551094 /nfs/dbraw/zinc/55/10/94/905551094.db2.gz DGJDQDPLSPDUCW-ZIAGYGMSSA-N 2 0 269.433 1.729 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505685478 908133347 /nfs/dbraw/zinc/13/33/47/908133347.db2.gz HNKMJVNDRKCKDL-ZIAGYGMSSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001567974160 1169103135 /nfs/dbraw/zinc/10/31/35/1169103135.db2.gz TVPPMAXLOYQWBJ-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001409424764 910390340 /nfs/dbraw/zinc/39/03/40/910390340.db2.gz VIJPZSLYDQWZED-NWDGAFQWSA-N 2 0 287.835 1.564 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001483959452 915232739 /nfs/dbraw/zinc/23/27/39/915232739.db2.gz UVFSIRLYHJUNOZ-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483955612 915241415 /nfs/dbraw/zinc/24/14/15/915241415.db2.gz MJYZEJRKCBZUOH-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001484144713 915459230 /nfs/dbraw/zinc/45/92/30/915459230.db2.gz KSHXTAYHEAKDJG-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001485157396 916611656 /nfs/dbraw/zinc/61/16/56/916611656.db2.gz KZKIWJHZTCPDKZ-RYUDHWBXSA-N 2 0 287.835 1.706 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001485299410 916779072 /nfs/dbraw/zinc/77/90/72/916779072.db2.gz JYVOJCFGFTZUAQ-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001276400423 936627251 /nfs/dbraw/zinc/62/72/51/936627251.db2.gz ZCEHXUWRENNGFW-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CCCC)CC1 ZINC001273204555 924872206 /nfs/dbraw/zinc/87/22/06/924872206.db2.gz LTOSBOFJERZVDR-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001568417239 1169279584 /nfs/dbraw/zinc/27/95/84/1169279584.db2.gz UMXNHLYVRHVNLZ-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(CC)[C@H]1CC[N@H+](CC)C1 ZINC000855490687 928427196 /nfs/dbraw/zinc/42/71/96/928427196.db2.gz JPSVTNASKRKBEM-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001568497458 1169332032 /nfs/dbraw/zinc/33/20/32/1169332032.db2.gz FEKCQZMHEANNDQ-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001274452382 931501144 /nfs/dbraw/zinc/50/11/44/931501144.db2.gz BBVQZQITQSVGJN-LSDHHAIUSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001322770979 931720205 /nfs/dbraw/zinc/72/02/05/931720205.db2.gz YXNBEKWOPNSDPV-UHFFFAOYSA-N 2 0 297.443 1.111 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](CCCC)C[NH2+]CC)CC1 ZINC001276269976 932701774 /nfs/dbraw/zinc/70/17/74/932701774.db2.gz YBLOXXVYUOLWNZ-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568632901 1169409178 /nfs/dbraw/zinc/40/91/78/1169409178.db2.gz SEUANFLFWINSLX-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC001122103023 937905464 /nfs/dbraw/zinc/90/54/64/937905464.db2.gz RZYQXAJOVLENTI-QWHCGFSZSA-N 2 0 267.417 1.564 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001276602963 940409798 /nfs/dbraw/zinc/40/97/98/940409798.db2.gz IETALXFKLFKCOM-HZPDHXFCSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001277093809 941943740 /nfs/dbraw/zinc/94/37/40/941943740.db2.gz AKMRGOCJZIZZMC-HUUCEWRRSA-N 2 0 289.423 1.265 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001280769468 942482736 /nfs/dbraw/zinc/48/27/36/942482736.db2.gz HGIGUINDPYLPKU-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001282084143 942657786 /nfs/dbraw/zinc/65/77/86/942657786.db2.gz NIRIOQVHECKPCX-GPANFISMSA-N 2 0 293.455 1.777 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001282733423 942745239 /nfs/dbraw/zinc/74/52/39/942745239.db2.gz FDJLOAWKKZWZPW-CYBMUJFWSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001284751541 943254770 /nfs/dbraw/zinc/25/47/70/943254770.db2.gz XHTKRECNQQMPGN-RUXDESIVSA-N 2 0 265.401 1.236 10 30 CDEERP C#Cc1ccc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1 ZINC001262703665 943676065 /nfs/dbraw/zinc/67/60/65/943676065.db2.gz RCNOHLBMLLKNFZ-HZPDHXFCSA-N 2 0 286.423 1.239 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001263811908 943982200 /nfs/dbraw/zinc/98/22/00/943982200.db2.gz CGVDWIDEVUUFKS-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001263933464 944035536 /nfs/dbraw/zinc/03/55/36/944035536.db2.gz ZSVURZPHAHLCDD-UONOGXRCSA-N 2 0 267.417 1.387 10 30 CDEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001264556872 944149633 /nfs/dbraw/zinc/14/96/33/944149633.db2.gz NELDGTNQUUPKIA-OWCLPIDISA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001264708659 944166215 /nfs/dbraw/zinc/16/62/15/944166215.db2.gz RQAKNOBXSIIUPX-HZSPNIEDSA-N 2 0 267.417 1.482 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001265232771 944290878 /nfs/dbraw/zinc/29/08/78/944290878.db2.gz FRDRYANWKMALNB-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001265540522 944422051 /nfs/dbraw/zinc/42/20/51/944422051.db2.gz URVWWYLURBIDTD-OWCLPIDISA-N 2 0 291.439 1.531 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001277979697 944423805 /nfs/dbraw/zinc/42/38/05/944423805.db2.gz ACPUFFGQVXQKJY-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001265783599 944508724 /nfs/dbraw/zinc/50/87/24/944508724.db2.gz NSNJZSARDMXJLV-HOCLYGCPSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001265822983 944525859 /nfs/dbraw/zinc/52/58/59/944525859.db2.gz BNMZDDSMARVGIA-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266094698 944676808 /nfs/dbraw/zinc/67/68/08/944676808.db2.gz YMICSEUCOGRYGW-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001266182528 944739512 /nfs/dbraw/zinc/73/95/12/944739512.db2.gz JUSBKQWOXBKXMB-AWEZNQCLSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]2C1 ZINC001279410517 944802113 /nfs/dbraw/zinc/80/21/13/944802113.db2.gz ZEJMFFWZVJUAPE-GASCZTMLSA-N 2 0 279.428 1.295 10 30 CDEERP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001479489220 971331638 /nfs/dbraw/zinc/33/16/38/971331638.db2.gz KORATMXNPZOGCX-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001278405867 947654877 /nfs/dbraw/zinc/65/48/77/947654877.db2.gz QBWPAQRRVMOKRW-INIZCTEOSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001568997508 1169585852 /nfs/dbraw/zinc/58/58/52/1169585852.db2.gz UNJGTRIQEAGYCJ-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001278459803 948384492 /nfs/dbraw/zinc/38/44/92/948384492.db2.gz OHOCCMMLRZCJIH-HOCLYGCPSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001480026243 971545064 /nfs/dbraw/zinc/54/50/64/971545064.db2.gz CXZDNMDQUMUUAL-JKSUJKDBSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001480038339 971548072 /nfs/dbraw/zinc/54/80/72/971548072.db2.gz GRNOVNYYWBHPOL-CQSZACIVSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H](c1ccccc1)N(C)C ZINC001569038040 1169607175 /nfs/dbraw/zinc/60/71/75/1169607175.db2.gz FDHKVAHTZIZBGP-ZBFHGGJFSA-N 2 0 287.407 1.407 10 30 CDEERP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001480254592 971650230 /nfs/dbraw/zinc/65/02/30/971650230.db2.gz FTUWDQQVLLGUBQ-CABCVRRESA-N 2 0 299.434 1.681 10 30 CDEERP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001480323317 971672583 /nfs/dbraw/zinc/67/25/83/971672583.db2.gz JQKKVTFGWMCNFY-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001480329740 971673367 /nfs/dbraw/zinc/67/33/67/971673367.db2.gz CGHTYEZDOSIZNI-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001569125418 1169674971 /nfs/dbraw/zinc/67/49/71/1169674971.db2.gz UYTDVEVOWOYZTF-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001493110829 971952118 /nfs/dbraw/zinc/95/21/18/971952118.db2.gz YGPWHZIIDCXDKK-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001493182507 971968776 /nfs/dbraw/zinc/96/87/76/971968776.db2.gz IHFAVLDDEQRJBD-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001326412835 954367581 /nfs/dbraw/zinc/36/75/81/954367581.db2.gz VOGTZSJTEBHIHO-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001493297956 972010529 /nfs/dbraw/zinc/01/05/29/972010529.db2.gz ZFUNKMAYPQSGEZ-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493498291 972071177 /nfs/dbraw/zinc/07/11/77/972071177.db2.gz ATPYJGOULCKCPM-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001491684446 955357690 /nfs/dbraw/zinc/35/76/90/955357690.db2.gz VPVLQFXNDGURMF-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491883588 955492323 /nfs/dbraw/zinc/49/23/23/955492323.db2.gz WJTHENNWLJMANY-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001317142779 957303132 /nfs/dbraw/zinc/30/31/32/957303132.db2.gz GRFTYMMYDTXVIW-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317322266 957422582 /nfs/dbraw/zinc/42/25/82/957422582.db2.gz NAZDVEXASSBZJE-BZUAXINKSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317324381 957422929 /nfs/dbraw/zinc/42/29/29/957422929.db2.gz AFQHHUULNFGNSC-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317483544 957504688 /nfs/dbraw/zinc/50/46/88/957504688.db2.gz GIVHWYXUUZXAMO-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001332322693 957517139 /nfs/dbraw/zinc/51/71/39/957517139.db2.gz NCHHRGNVGDVXGZ-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001494722808 972296820 /nfs/dbraw/zinc/29/68/20/972296820.db2.gz PDNNHIYEVSSVAB-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001332808551 957853148 /nfs/dbraw/zinc/85/31/48/957853148.db2.gz UNQUUGSBGRQWHV-CABCVRRESA-N 2 0 295.471 1.716 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001333089342 958066569 /nfs/dbraw/zinc/06/65/69/958066569.db2.gz QLBFOIYRIXTAOS-UHFFFAOYSA-N 2 0 289.423 1.217 10 30 CDEERP C=CCC[NH2+]C[C@](C)(NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001318714741 958243182 /nfs/dbraw/zinc/24/31/82/958243182.db2.gz SADUOXYWIQRIRH-PBHICJAKSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001494909565 972334301 /nfs/dbraw/zinc/33/43/01/972334301.db2.gz KAYGTQYLFRSLTI-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C#CCC[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001333392979 958307577 /nfs/dbraw/zinc/30/75/77/958307577.db2.gz YCTZQCGBXFMKNF-UHFFFAOYSA-N 2 0 277.412 1.100 10 30 CDEERP CC#CC[N@H+]1CC=C(CNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001333432838 958335583 /nfs/dbraw/zinc/33/55/83/958335583.db2.gz FZFVNCRMJPPNQY-MRXNPFEDSA-N 2 0 289.423 1.100 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001368129584 958656677 /nfs/dbraw/zinc/65/66/77/958656677.db2.gz WDJMNGQWVNWJBF-QWHCGFSZSA-N 2 0 287.835 1.660 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001319711178 958696105 /nfs/dbraw/zinc/69/61/05/958696105.db2.gz HBFULTAXYMBGBA-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001319926907 958793210 /nfs/dbraw/zinc/79/32/10/958793210.db2.gz DVMXEKIVAKOWMN-AWEZNQCLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCO[C@@H]1CC[NH+](CCC[N@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001320038360 958893822 /nfs/dbraw/zinc/89/38/22/958893822.db2.gz QSXFGUDIHMKCFH-IAGOWNOFSA-N 2 0 294.439 1.930 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001320150130 958971093 /nfs/dbraw/zinc/97/10/93/958971093.db2.gz ZAMOWSZFYLQQLP-HOCLYGCPSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001321056996 959564468 /nfs/dbraw/zinc/56/44/68/959564468.db2.gz LQVQEYSVIVSBQP-XHPSBEMXSA-N 2 0 277.412 1.145 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CC ZINC001569342667 1169772654 /nfs/dbraw/zinc/77/26/54/1169772654.db2.gz JRHZHFGNLNXVPB-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001322087990 960078641 /nfs/dbraw/zinc/07/86/41/960078641.db2.gz JBPLUCUYKBEOEX-ZDUSSCGKSA-N 2 0 253.390 1.143 10 30 CDEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001495404030 972490098 /nfs/dbraw/zinc/49/00/98/972490098.db2.gz SIXNAKNORQAYNC-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)CC[NH+](C)C ZINC001322678352 960296731 /nfs/dbraw/zinc/29/67/31/960296731.db2.gz NSYNUSCHJKMULV-UHFFFAOYSA-N 2 0 261.797 1.129 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001340846230 963153603 /nfs/dbraw/zinc/15/36/03/963153603.db2.gz JYMXSUPADSQTKR-XJFOESAGSA-N 2 0 279.428 1.563 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001421449922 963612122 /nfs/dbraw/zinc/61/21/22/963612122.db2.gz MYALEHIGEPLOGJ-YPMHNXCESA-N 2 0 287.835 1.565 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001343015957 963884822 /nfs/dbraw/zinc/88/48/22/963884822.db2.gz XOMUIKUBIIGXFO-SGMGOOAPSA-N 2 0 251.374 1.010 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001447807827 966882188 /nfs/dbraw/zinc/88/21/88/966882188.db2.gz YXNAFMGCXLQYRQ-UHFFFAOYSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001448611218 967171235 /nfs/dbraw/zinc/17/12/35/967171235.db2.gz BVUSNNZHPMXPEL-UONOGXRCSA-N 2 0 299.846 1.517 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001496645421 973006038 /nfs/dbraw/zinc/00/60/38/973006038.db2.gz UGEKCRWMNZEBOM-UONOGXRCSA-N 2 0 267.417 1.245 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001496642273 973006547 /nfs/dbraw/zinc/00/65/47/973006547.db2.gz NLABPKCWYHMRNC-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001497712523 973474441 /nfs/dbraw/zinc/47/44/41/973474441.db2.gz GYIPJQOMCZOMOE-WAYWQWQTSA-N 2 0 279.428 1.555 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001500397327 974432444 /nfs/dbraw/zinc/43/24/44/974432444.db2.gz UHBOMFNOODBXRZ-INIZCTEOSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001501133480 974539631 /nfs/dbraw/zinc/53/96/31/974539631.db2.gz YMZTXBHPFPDLQN-CABCVRRESA-N 2 0 279.428 1.036 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001501574111 974601506 /nfs/dbraw/zinc/60/15/06/974601506.db2.gz HEEFSIQRRJFLII-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501647205 974615343 /nfs/dbraw/zinc/61/53/43/974615343.db2.gz DOMJDCYEYHHXTQ-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001505443424 974881389 /nfs/dbraw/zinc/88/13/89/974881389.db2.gz JVMIQWZHPQLGKK-JYJNAYRXSA-N 2 0 291.439 1.273 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001505455777 974884910 /nfs/dbraw/zinc/88/49/10/974884910.db2.gz HWPWIUVSKDHZQV-CQSZACIVSA-N 2 0 277.412 1.191 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001505632462 974943800 /nfs/dbraw/zinc/94/38/00/974943800.db2.gz LHMYOKWEZFEAOR-ZIAGYGMSSA-N 2 0 297.443 1.014 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001505761201 974984718 /nfs/dbraw/zinc/98/47/18/974984718.db2.gz RCTAWNULZKEJIU-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001506936736 975266662 /nfs/dbraw/zinc/26/66/62/975266662.db2.gz OFRKMMJNJZRVEF-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001507161066 975359239 /nfs/dbraw/zinc/35/92/39/975359239.db2.gz IDVVXPKIAYRWDD-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001507802486 975544867 /nfs/dbraw/zinc/54/48/67/975544867.db2.gz ULMFQIUEEFNZGO-MRXNPFEDSA-N 2 0 291.439 1.130 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001569845051 1170016121 /nfs/dbraw/zinc/01/61/21/1170016121.db2.gz QVEXWSPJWGOETA-KGLIPLIRSA-N 2 0 279.428 1.198 10 30 CDEERP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001569915596 1170036881 /nfs/dbraw/zinc/03/68/81/1170036881.db2.gz SOZKKZMYYRWEAT-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+]C1(CC)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001570260771 1170123747 /nfs/dbraw/zinc/12/37/47/1170123747.db2.gz KYNLTVZQCIGFRW-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001570384890 1170147828 /nfs/dbraw/zinc/14/78/28/1170147828.db2.gz VLRXPIWEEWMWRR-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001570661430 1170225373 /nfs/dbraw/zinc/22/53/73/1170225373.db2.gz YUBBPBYQXKUPAM-UHFFFAOYSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001570719704 1170252930 /nfs/dbraw/zinc/25/29/30/1170252930.db2.gz CTQXJTJJYOMCIF-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001571157321 1170341078 /nfs/dbraw/zinc/34/10/78/1170341078.db2.gz MCOUJYYRFYHAQO-RBSFLKMASA-N 2 0 279.428 1.080 10 30 CDEERP C#CCC[NH+](C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001571334122 1170371692 /nfs/dbraw/zinc/37/16/92/1170371692.db2.gz MPCCPRBYYQNGBB-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001571399175 1170411503 /nfs/dbraw/zinc/41/15/03/1170411503.db2.gz LZMMCNOMJKJGST-AWEZNQCLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CCC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001571650374 1170509224 /nfs/dbraw/zinc/50/92/24/1170509224.db2.gz POPVTLLQSLTVDY-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP CC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594440530 342907063 /nfs/dbraw/zinc/90/70/63/342907063.db2.gz DWKQJBBDDMLGRL-AWEZNQCLSA-N 2 0 280.416 1.340 10 30 CDEERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441587 342907393 /nfs/dbraw/zinc/90/73/93/342907393.db2.gz SWBRDSATEQSUEW-LSDHHAIUSA-N 2 0 294.443 1.778 10 30 CDEERP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000600715720 342244107 /nfs/dbraw/zinc/24/41/07/342244107.db2.gz HTNJTICWTVGNMH-MJBXVCDLSA-N 2 0 263.385 1.258 10 30 CDEERP N#CC1(C[C@H](O)C[NH2+]CCC[NH+]2CCCC2)CC1 ZINC000600716096 342244228 /nfs/dbraw/zinc/24/42/28/342244228.db2.gz WGVLBAIIHXKAMM-ZDUSSCGKSA-N 2 0 251.374 1.117 10 30 CDEERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(C#N)c(F)c1 ZINC000600711597 349876740 /nfs/dbraw/zinc/87/67/40/349876740.db2.gz SIPGTXQIRKDITG-NSHDSACASA-N 2 0 265.332 1.713 10 30 CDEERP N#Cc1ccc(C2([NH2+]C[C@H]3CC[NH2+]C3)CCOCC2)cc1 ZINC000600740530 349877910 /nfs/dbraw/zinc/87/79/10/349877910.db2.gz IVZASTIOPBUFFX-HNNXBMFYSA-N 2 0 285.391 1.763 10 30 CDEERP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1ccc(C#N)cc1 ZINC000600707674 348248883 /nfs/dbraw/zinc/24/88/83/348248883.db2.gz AAPJZJMOOYZFGN-OAHLLOKOSA-N 2 0 261.369 1.835 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001663524315 1172714742 /nfs/dbraw/zinc/71/47/42/1172714742.db2.gz XJSIKBICIGJFPW-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662694942 413329459 /nfs/dbraw/zinc/32/94/59/413329459.db2.gz FAOVEBTXLQPOPD-BFYDXBDKSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[C@@]1(C(=O)NCCC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662729786 413393871 /nfs/dbraw/zinc/39/38/71/413393871.db2.gz XHRWWJGEBMKCBQ-KRWDZBQOSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CCC[NH2+]1 ZINC000662732593 413398894 /nfs/dbraw/zinc/39/88/94/413398894.db2.gz YHZDJTUTPVGZKL-UMVBOHGHSA-N 2 0 265.401 1.284 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001665227385 1172965384 /nfs/dbraw/zinc/96/53/84/1172965384.db2.gz CURZBRVXVUFHRL-OLZOCXBDSA-N 2 0 265.401 1.093 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000043427216 175040456 /nfs/dbraw/zinc/04/04/56/175040456.db2.gz LPYVZNWYAGHFKL-DLBZAZTESA-N 2 0 270.376 1.750 10 30 CDEERP NC(=O)CC1CC[NH+](Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043684127 175093106 /nfs/dbraw/zinc/09/31/06/175093106.db2.gz YAGHMUHNVILYSA-UHFFFAOYSA-N 2 0 291.420 1.146 10 30 CDEERP [NH2+]=C(NCCN1CCc2c(Cl)cccc2C1)NC1CC1 ZINC000188136422 260073475 /nfs/dbraw/zinc/07/34/75/260073475.db2.gz VLVNUQQBTIZBSD-UHFFFAOYSA-N 2 0 292.814 1.765 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCC1 ZINC001666771935 1173182907 /nfs/dbraw/zinc/18/29/07/1173182907.db2.gz ISEIRRMAYXLXFM-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C[C@@H]([NH2+]CC#CC[NH2+][C@@H](C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000341904809 263365324 /nfs/dbraw/zinc/36/53/24/263365324.db2.gz DPBAGNZHFYPFOX-QKPAOTATSA-N 2 0 280.412 1.019 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001666919428 1173207855 /nfs/dbraw/zinc/20/78/55/1173207855.db2.gz ATBMIZGPYNEEMQ-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001667059278 1173227574 /nfs/dbraw/zinc/22/75/74/1173227574.db2.gz OLVHFHVOVBQFDG-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]21 ZINC001667701757 1173311896 /nfs/dbraw/zinc/31/18/96/1173311896.db2.gz PNIHBZAJFHVYKM-HOTGVXAUSA-N 2 0 293.455 1.826 10 30 CDEERP C#CCC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@H]21 ZINC001667694080 1173312493 /nfs/dbraw/zinc/31/24/93/1173312493.db2.gz LOPLANZKKDGSED-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCC1CC1 ZINC001668455648 1173414762 /nfs/dbraw/zinc/41/47/62/1173414762.db2.gz NJTRKTFONXIYJF-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001671775383 1173711332 /nfs/dbraw/zinc/71/13/32/1173711332.db2.gz RMEDNKAAUZMLHZ-MRXNPFEDSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001673449575 1173858944 /nfs/dbraw/zinc/85/89/44/1173858944.db2.gz GVZXOLANZXRJCY-INIZCTEOSA-N 2 0 293.455 1.520 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001267225963 1159191020 /nfs/dbraw/zinc/19/10/20/1159191020.db2.gz JEHQPXRCBHUVOI-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001691476118 1159335115 /nfs/dbraw/zinc/33/51/15/1159335115.db2.gz QIQODYHHOKDFCF-GASCZTMLSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267386809 1159359701 /nfs/dbraw/zinc/35/97/01/1159359701.db2.gz VWLOUOAWIHMOIV-ZDUSSCGKSA-N 2 0 287.835 1.661 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001699876232 1176665658 /nfs/dbraw/zinc/66/56/58/1176665658.db2.gz ZXWJXJBTQARADU-INIZCTEOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001699526852 1159942655 /nfs/dbraw/zinc/94/26/55/1159942655.db2.gz BOICPGJXBLZUNG-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001505456530 1160374820 /nfs/dbraw/zinc/37/48/20/1160374820.db2.gz XDCJJNAHPWSQAX-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001483257349 1160883070 /nfs/dbraw/zinc/88/30/70/1160883070.db2.gz AHLGZVSFVOJBLZ-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001484011872 1161245796 /nfs/dbraw/zinc/24/57/96/1161245796.db2.gz DPDJQVYXSIFYFN-OAHLLOKOSA-N 2 0 291.439 1.533 10 30 CDEERP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001713422619 1178553500 /nfs/dbraw/zinc/55/35/00/1178553500.db2.gz UCWIBWRKQIDOPH-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001723875038 1181613761 /nfs/dbraw/zinc/61/37/61/1181613761.db2.gz KNNHSLNFKRIEPY-GJZGRUSLSA-N 2 0 279.428 1.319 10 30 CDEERP C[N@H+](CCOc1ccc(C#CC[NH3+])cc1)C[C@H]1CCCO1 ZINC000049609672 522904614 /nfs/dbraw/zinc/90/46/14/522904614.db2.gz JSOFONWZKRLFBO-QGZVFWFLSA-N 2 0 288.391 1.486 10 30 CDEERP C#CC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862822 526803218 /nfs/dbraw/zinc/80/32/18/526803218.db2.gz DVMMSEKXJDHDOW-SFHVURJKSA-N 2 0 286.419 1.997 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCCC[C@H]2CO)c(F)c1 ZINC000049609788 527149347 /nfs/dbraw/zinc/14/93/47/527149347.db2.gz IPPVLWNHBAGVHV-HNNXBMFYSA-N 2 0 276.355 1.483 10 30 CDEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001689110124 1175098415 /nfs/dbraw/zinc/09/84/15/1175098415.db2.gz HKWYTIKJRDACKI-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001689267016 1175133248 /nfs/dbraw/zinc/13/32/48/1175133248.db2.gz CPSODOFZGFDZLP-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[N@@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001689869383 1175290571 /nfs/dbraw/zinc/29/05/71/1175290571.db2.gz IMRLOKQCEWJPGF-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCC)C2)CC1 ZINC000939808927 613129785 /nfs/dbraw/zinc/12/97/85/613129785.db2.gz HFPQULABKPTJFO-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[C@H](O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923427166 618333680 /nfs/dbraw/zinc/33/36/80/618333680.db2.gz HWRPBWIRZFJBDM-LSDHHAIUSA-N 2 0 252.402 1.779 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000900009421 622629699 /nfs/dbraw/zinc/62/96/99/622629699.db2.gz HRKOYTGJVSFDSA-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000901307479 624103798 /nfs/dbraw/zinc/10/37/98/624103798.db2.gz YRSCDDQCFNLTRU-UHFFFAOYSA-N 2 0 279.428 1.581 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000908157971 628046927 /nfs/dbraw/zinc/04/69/27/628046927.db2.gz YKHYDNPGOQKKCW-YIONKMFJSA-N 2 0 279.428 1.578 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000908412575 628187596 /nfs/dbraw/zinc/18/75/96/628187596.db2.gz FPYPTZDVHIDANJ-STQMWFEESA-N 2 0 253.390 1.045 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000876772226 630564842 /nfs/dbraw/zinc/56/48/42/630564842.db2.gz JXPHWUNRWAHTCF-QWHCGFSZSA-N 2 0 287.835 1.789 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000876884205 630581620 /nfs/dbraw/zinc/58/16/20/630581620.db2.gz OHCUNWOMTHTSKS-USWWRNFRSA-N 2 0 273.808 1.255 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000876973316 630587807 /nfs/dbraw/zinc/58/78/07/630587807.db2.gz DCXJPJSZWSAVKP-WDEREUQCSA-N 2 0 259.781 1.057 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000913759225 630745608 /nfs/dbraw/zinc/74/56/08/630745608.db2.gz KKLPPAGKARRRGT-KBPBESRZSA-N 2 0 265.401 1.047 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)CC ZINC001691376818 1159043474 /nfs/dbraw/zinc/04/34/74/1159043474.db2.gz GBSNFBUMEDSQTB-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001691170859 1158942824 /nfs/dbraw/zinc/94/28/24/1158942824.db2.gz IXFWBRMUVJUOQN-HNNXBMFYSA-N 2 0 279.428 1.487 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001266896207 1158968319 /nfs/dbraw/zinc/96/83/19/1158968319.db2.gz XWIQMFRULMCZGB-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691503833 1159976327 /nfs/dbraw/zinc/97/63/27/1159976327.db2.gz JOVPKSYYAPGCFX-HDJSIYSDSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001496821387 1160733274 /nfs/dbraw/zinc/73/32/74/1160733274.db2.gz IZXCDHBKOYKEHB-AWEZNQCLSA-N 2 0 269.433 1.683 10 30 CDEERP C=CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001567451114 1168770594 /nfs/dbraw/zinc/77/05/94/1168770594.db2.gz DODLWYQKRWHJFY-CVEARBPZSA-N 2 0 291.439 1.770 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567730832 1168938457 /nfs/dbraw/zinc/93/84/57/1168938457.db2.gz FJPDHXCIMWLMRK-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001568131735 1169143728 /nfs/dbraw/zinc/14/37/28/1169143728.db2.gz SHPSFVIJWLZBRO-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001569329513 1169767103 /nfs/dbraw/zinc/76/71/03/1169767103.db2.gz OXSOWKKVMMKCIR-JKSUJKDBSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001570384056 1170148358 /nfs/dbraw/zinc/14/83/58/1170148358.db2.gz CIKNXTHAGCVWHR-CQSZACIVSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001570517676 1170174448 /nfs/dbraw/zinc/17/44/48/1170174448.db2.gz HUSVQLQROQNABD-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001571658653 1170512614 /nfs/dbraw/zinc/51/26/14/1170512614.db2.gz GNERDZRWMOCMKQ-PCKAHOCUSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001656109368 1171770943 /nfs/dbraw/zinc/77/09/43/1171770943.db2.gz JFYVYYKKGYZHAT-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC001665940671 1173088344 /nfs/dbraw/zinc/08/83/44/1173088344.db2.gz WAXLWELREBARKE-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001666256378 1173121644 /nfs/dbraw/zinc/12/16/44/1173121644.db2.gz KNAHASQUTHJTJR-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+]C1(CC)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001673621669 1173873580 /nfs/dbraw/zinc/87/35/80/1173873580.db2.gz NQQJGKRNOJVJSO-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1(C)C ZINC001677023800 1174309689 /nfs/dbraw/zinc/30/96/89/1174309689.db2.gz PKRLXNULCUJMAL-AWEZNQCLSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001677594019 1174377397 /nfs/dbraw/zinc/37/73/97/1174377397.db2.gz GPBNRYYCVYMDJN-UHFFFAOYSA-N 2 0 279.428 1.653 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001688888768 1175054702 /nfs/dbraw/zinc/05/47/02/1175054702.db2.gz NRTBIUPFOJLNHU-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001690622869 1175526803 /nfs/dbraw/zinc/52/68/03/1175526803.db2.gz AIEDESKJFALBMK-STQMWFEESA-N 2 0 255.406 1.387 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001692004699 1175665284 /nfs/dbraw/zinc/66/52/84/1175665284.db2.gz KVOOXXVXVHUCFO-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001698573808 1175851919 /nfs/dbraw/zinc/85/19/19/1175851919.db2.gz DGVQCDKCJAFWIQ-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001698678212 1175893571 /nfs/dbraw/zinc/89/35/71/1175893571.db2.gz UPBWILCRKWXHOX-MRXNPFEDSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001698747562 1175915818 /nfs/dbraw/zinc/91/58/18/1175915818.db2.gz DGEXMQKDHLFFKZ-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001698841931 1175959326 /nfs/dbraw/zinc/95/93/26/1175959326.db2.gz XJYGMPROJKYROE-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001698970609 1176001645 /nfs/dbraw/zinc/00/16/45/1176001645.db2.gz AUSRHSYNJGSRDH-CABCVRRESA-N 2 0 279.428 1.082 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC=C)C(C)C)CC1 ZINC001698980856 1176005312 /nfs/dbraw/zinc/00/53/12/1176005312.db2.gz OHUFUZFBRXLJCP-INIZCTEOSA-N 2 0 291.439 1.248 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699003034 1176033769 /nfs/dbraw/zinc/03/37/69/1176033769.db2.gz UJUFDYJEQUYUOB-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001699592686 1176490607 /nfs/dbraw/zinc/49/06/07/1176490607.db2.gz MGPOZKJRYRTYJE-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001699657850 1176552943 /nfs/dbraw/zinc/55/29/43/1176552943.db2.gz UJWVSCPJLNMXKZ-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001700323818 1176851489 /nfs/dbraw/zinc/85/14/89/1176851489.db2.gz NGWVJQSOGCPNLK-CABCVRRESA-N 2 0 279.428 1.319 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001700404711 1176909619 /nfs/dbraw/zinc/90/96/19/1176909619.db2.gz MBILCIHVULHHRV-KGLIPLIRSA-N 2 0 277.412 1.121 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001700486174 1176976177 /nfs/dbraw/zinc/97/61/77/1176976177.db2.gz CQDREKVSJUTQPL-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001700556339 1177012451 /nfs/dbraw/zinc/01/24/51/1177012451.db2.gz YEMIQZCCYCETHO-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001700720678 1177092988 /nfs/dbraw/zinc/09/29/88/1177092988.db2.gz BZYZLVIVSMFBBX-BMFZPTHFSA-N 2 0 293.455 1.729 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001700772460 1177124560 /nfs/dbraw/zinc/12/45/60/1177124560.db2.gz BHCUQNVFKJYXTA-AWEZNQCLSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1CC ZINC001707206699 1177967003 /nfs/dbraw/zinc/96/70/03/1177967003.db2.gz XLLABATWTGNWBA-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001713551076 1178641564 /nfs/dbraw/zinc/64/15/64/1178641564.db2.gz ZQJIKIFUMJYPEI-UHFFFAOYSA-N 2 0 295.471 1.816 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713924605 1178849624 /nfs/dbraw/zinc/84/96/24/1178849624.db2.gz KWDGAZKDKCDUGL-UKRRQHHQSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[N@H+](CCC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714655218 1179301992 /nfs/dbraw/zinc/30/19/92/1179301992.db2.gz YPZSETJSCZPLGB-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714706673 1179348005 /nfs/dbraw/zinc/34/80/05/1179348005.db2.gz LMEYHMKQCIFSFR-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001714723812 1179358809 /nfs/dbraw/zinc/35/88/09/1179358809.db2.gz KMPKFQUENXIZLD-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001715378999 1179650674 /nfs/dbraw/zinc/65/06/74/1179650674.db2.gz YMIFTDBYQNLFAR-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001715540259 1179709035 /nfs/dbraw/zinc/70/90/35/1179709035.db2.gz VDJUNCBOFDBYPS-UHFFFAOYSA-N 2 0 281.444 1.829 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001716146362 1180071455 /nfs/dbraw/zinc/07/14/55/1180071455.db2.gz ZNKXVZYSGCNSJE-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001716482970 1180244523 /nfs/dbraw/zinc/24/45/23/1180244523.db2.gz VTWISJXPELGLPZ-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001716572156 1180289187 /nfs/dbraw/zinc/28/91/87/1180289187.db2.gz CPKNBYFHFWIITA-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001716611100 1180304606 /nfs/dbraw/zinc/30/46/06/1180304606.db2.gz CRHLOIUMZQXMBA-HRCADAONSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001717162184 1180554726 /nfs/dbraw/zinc/55/47/26/1180554726.db2.gz JRIUKQFBZRQPOH-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001717293006 1180606607 /nfs/dbraw/zinc/60/66/07/1180606607.db2.gz FEZZBZYRHRWSGH-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cncc3C)[C@@H]2C1 ZINC001717599589 1180755056 /nfs/dbraw/zinc/75/50/56/1180755056.db2.gz OUMSUMTUFANLJM-QKDCVEJESA-N 2 0 288.395 1.062 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001717642241 1180770152 /nfs/dbraw/zinc/77/01/52/1180770152.db2.gz ONJRXCHSOUFOFL-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001717862049 1180900898 /nfs/dbraw/zinc/90/08/98/1180900898.db2.gz DZMQHDSEVLHSAH-HUUCEWRRSA-N 2 0 279.428 1.319 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001717966955 1180951307 /nfs/dbraw/zinc/95/13/07/1180951307.db2.gz UNQUUGSBGRQWHV-LSDHHAIUSA-N 2 0 295.471 1.716 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001722917216 1181494161 /nfs/dbraw/zinc/49/41/61/1181494161.db2.gz RJUCGWGEWJKMBV-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001724021970 1181629693 /nfs/dbraw/zinc/62/96/93/1181629693.db2.gz GQSNSKUMBBBREQ-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001724175266 1181648449 /nfs/dbraw/zinc/64/84/49/1181648449.db2.gz MHUJXJMVRLVJPA-KRWDZBQOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001724724049 1181733957 /nfs/dbraw/zinc/73/39/57/1181733957.db2.gz DIUIWRBKGNZVFV-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001725129327 1181876505 /nfs/dbraw/zinc/87/65/05/1181876505.db2.gz OSIPVEYFDRPFON-HOTGVXAUSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001725327079 1181963316 /nfs/dbraw/zinc/96/33/16/1181963316.db2.gz KZOOHKWRCRFIFZ-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C#CCC[N@H+]1CCCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001725341405 1181967401 /nfs/dbraw/zinc/96/74/01/1181967401.db2.gz DMBJBFXROROMDR-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001725497149 1182025215 /nfs/dbraw/zinc/02/52/15/1182025215.db2.gz VPXMJDGEUOUUPD-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001725512547 1182031619 /nfs/dbraw/zinc/03/16/19/1182031619.db2.gz WQILDEYVZDAMIQ-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001725687844 1182096903 /nfs/dbraw/zinc/09/69/03/1182096903.db2.gz ZZMWWISZIAASTI-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001731296921 1182301297 /nfs/dbraw/zinc/30/12/97/1182301297.db2.gz YNIOHTNDLPLRLM-HUUCEWRRSA-N 2 0 291.439 1.627 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001731486534 1182414440 /nfs/dbraw/zinc/41/44/40/1182414440.db2.gz RZMXGFJPTHFIIN-QLFBSQMISA-N 2 0 279.428 1.367 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001731615906 1182481102 /nfs/dbraw/zinc/48/11/02/1182481102.db2.gz DDUVBRKCTYYDTK-CJNGLKHVSA-N 2 0 297.418 1.317 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001731677377 1182514736 /nfs/dbraw/zinc/51/47/36/1182514736.db2.gz DQBPVBIOCYMQHU-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001731694893 1182521203 /nfs/dbraw/zinc/52/12/03/1182521203.db2.gz NHXHUBCKNMPBJI-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001732003783 1182719838 /nfs/dbraw/zinc/71/98/38/1182719838.db2.gz IBENSWSZMFQLNL-OAHLLOKOSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001732081682 1182756624 /nfs/dbraw/zinc/75/66/24/1182756624.db2.gz ADTIGGGWCANCSE-HNNXBMFYSA-N 2 0 279.428 1.439 10 30 CDEERP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)CCC)C1 ZINC001732185407 1182840567 /nfs/dbraw/zinc/84/05/67/1182840567.db2.gz MYOFSEIXNJOYIA-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCCC[NH+](C)C ZINC001732549504 1183003929 /nfs/dbraw/zinc/00/39/29/1183003929.db2.gz XCZALMUXQXPDLQ-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001732626354 1183054172 /nfs/dbraw/zinc/05/41/72/1183054172.db2.gz QZXGETSADWKUKD-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC=C)C2CC2)CC1 ZINC001733190357 1183325075 /nfs/dbraw/zinc/32/50/75/1183325075.db2.gz KOONZHJRIJVPNK-MRXNPFEDSA-N 2 0 289.423 1.002 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001733336654 1183400686 /nfs/dbraw/zinc/40/06/86/1183400686.db2.gz XOCOACBVQLIZBJ-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H](C)C1 ZINC001733334596 1183400714 /nfs/dbraw/zinc/40/07/14/1183400714.db2.gz AVTGJLOMPZUJBL-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001733688039 1183496746 /nfs/dbraw/zinc/49/67/46/1183496746.db2.gz ZOWDHNVEVQPMLS-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001733958605 1183584627 /nfs/dbraw/zinc/58/46/27/1183584627.db2.gz XCSHGYMRDUIFTL-QQFBHYJXSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001734328707 1183734553 /nfs/dbraw/zinc/73/45/53/1183734553.db2.gz OQGXSVYOICNMPC-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]C(C)C)CC1 ZINC001734355896 1183745251 /nfs/dbraw/zinc/74/52/51/1183745251.db2.gz IPSGYQULMJTNBM-AWEZNQCLSA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001734410797 1183767945 /nfs/dbraw/zinc/76/79/45/1183767945.db2.gz WBDOMOQWPFZNOL-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[C@H](CO)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925628323 790305566 /nfs/dbraw/zinc/30/55/66/790305566.db2.gz CWBRNHBCVORJPF-CRWXNKLISA-N 2 0 252.402 1.537 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877256775 790411676 /nfs/dbraw/zinc/41/16/76/790411676.db2.gz DWZHGDRNKCGYJZ-FZMZJTMJSA-N 2 0 287.835 1.680 10 30 CDEERP CN(C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C1(C[NH3+])CCC1 ZINC000867973980 790872041 /nfs/dbraw/zinc/87/20/41/790872041.db2.gz AXXXDYVSUBOQFM-HNNXBMFYSA-N 2 0 298.390 1.085 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000848394772 791006577 /nfs/dbraw/zinc/00/65/77/791006577.db2.gz UUGNVESVJAPDEP-OAHLLOKOSA-N 2 0 288.395 1.215 10 30 CDEERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csc(C#N)c1 ZINC000922011231 789993393 /nfs/dbraw/zinc/99/33/93/789993393.db2.gz JITUWRVYXWHEAU-ZDUSSCGKSA-N 2 0 292.452 1.735 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876518714 790072867 /nfs/dbraw/zinc/07/28/67/790072867.db2.gz WZVDBXBBZQNDDY-CYBMUJFWSA-N 2 0 281.787 1.274 10 30 CDEERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852868741 790172019 /nfs/dbraw/zinc/17/20/19/790172019.db2.gz LYIOLJGLCHERJW-INIZCTEOSA-N 2 0 291.439 1.370 10 30 CDEERP C=CCOCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250484 791584892 /nfs/dbraw/zinc/58/48/92/791584892.db2.gz GFZIRRCNMWSRGC-UHFFFAOYSA-N 2 0 252.402 1.997 10 30 CDEERP N#C[C@@H]1CCC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925811586 792001855 /nfs/dbraw/zinc/00/18/55/792001855.db2.gz JEOYKBMIEWGLNG-TZMCWYRMSA-N 2 0 250.390 1.081 10 30 CDEERP C[NH+](C)C(C)(C)CNC(=[NH2+])NCCc1cccs1 ZINC000303776618 792631609 /nfs/dbraw/zinc/63/16/09/792631609.db2.gz HXJQRFOFDCQPMV-UHFFFAOYSA-N 2 0 268.430 1.535 10 30 CDEERP C[NH+]=C(NCC(C)(C)[NH+](C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261997492 792663289 /nfs/dbraw/zinc/66/32/89/792663289.db2.gz STQJFFUMCNFXRQ-UONOGXRCSA-N 3 0 297.491 1.220 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000876770570 792702525 /nfs/dbraw/zinc/70/25/25/792702525.db2.gz HNHXGCDOZUGJEG-UPJWGTAASA-N 2 0 287.835 1.788 10 30 CDEERP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000195522480 792803599 /nfs/dbraw/zinc/80/35/99/792803599.db2.gz NVDKIEFMMKQURZ-CABCVRRESA-N 2 0 296.459 1.582 10 30 CDEERP C[NH+](C)CCCCCCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000161554307 792822949 /nfs/dbraw/zinc/82/29/49/792822949.db2.gz ZZFGOFHUTRXPCO-AWEZNQCLSA-N 2 0 284.448 1.582 10 30 CDEERP CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000789804284 793829196 /nfs/dbraw/zinc/82/91/96/793829196.db2.gz MDJMBWYEPYFVJK-GJZGRUSLSA-N 2 0 282.428 1.850 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000876717211 794832936 /nfs/dbraw/zinc/83/29/36/794832936.db2.gz ACTLNHJPFOFBDQ-CYBMUJFWSA-N 2 0 287.835 1.788 10 30 CDEERP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000852858831 795826246 /nfs/dbraw/zinc/82/62/46/795826246.db2.gz INCAGXJSHSEAQP-LSDHHAIUSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000876748313 796437137 /nfs/dbraw/zinc/43/71/37/796437137.db2.gz BAQPQRDLEVWXAN-WDEREUQCSA-N 2 0 259.781 1.009 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001571356929 1167590673 /nfs/dbraw/zinc/59/06/73/1167590673.db2.gz BGTLMUMRMVLXFE-KBPBESRZSA-N 2 0 265.401 1.093 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001565871205 1168192470 /nfs/dbraw/zinc/19/24/70/1168192470.db2.gz AZIDVWQXYLYYBO-VGWMRTNUSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001565914708 1168200303 /nfs/dbraw/zinc/20/03/03/1168200303.db2.gz QWQUSBZASDMINT-HRCADAONSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001566803217 1168428278 /nfs/dbraw/zinc/42/82/78/1168428278.db2.gz RZMXGFJPTHFIIN-KKUMJFAQSA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001567265398 1168643093 /nfs/dbraw/zinc/64/30/93/1168643093.db2.gz WMAQKPJYGALFAC-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266693073 895846360 /nfs/dbraw/zinc/84/63/60/895846360.db2.gz NWLJIVUUCIDRAA-APIJFGDWSA-N 2 0 281.444 1.918 10 30 CDEERP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001283173573 896060082 /nfs/dbraw/zinc/06/00/82/896060082.db2.gz MHPRRHYAFPCCCS-GDBMZVCRSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001266984165 896498643 /nfs/dbraw/zinc/49/86/43/896498643.db2.gz RJQHFXQLRSQPSQ-AWEZNQCLSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001480914376 896591557 /nfs/dbraw/zinc/59/15/57/896591557.db2.gz XOZQUQYTLGTKEC-UHFFFAOYSA-N 2 0 267.417 1.036 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001267044503 896625740 /nfs/dbraw/zinc/62/57/40/896625740.db2.gz SIDAMPVVUJETBE-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001267058813 896654054 /nfs/dbraw/zinc/65/40/54/896654054.db2.gz WHAZBWZKUKSGRN-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001267088420 896740044 /nfs/dbraw/zinc/74/00/44/896740044.db2.gz ZRXFALZFAKANMO-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001272617010 914181005 /nfs/dbraw/zinc/18/10/05/914181005.db2.gz RRZZQJXRMDBADU-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480975102 898417448 /nfs/dbraw/zinc/41/74/48/898417448.db2.gz HAVWOFKMVBCMBE-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267735185 899445742 /nfs/dbraw/zinc/44/57/42/899445742.db2.gz OASLPRXDDDTPAT-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001481246018 899624116 /nfs/dbraw/zinc/62/41/16/899624116.db2.gz OAGIHZIJCIAHBZ-ZIAGYGMSSA-N 2 0 299.846 1.804 10 30 CDEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267827758 899824709 /nfs/dbraw/zinc/82/47/09/899824709.db2.gz XCRMBQPCYBLTRR-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267948368 900024754 /nfs/dbraw/zinc/02/47/54/900024754.db2.gz BDRRXFDABGIXLA-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001267986623 900200137 /nfs/dbraw/zinc/20/01/37/900200137.db2.gz NPLPKJPLFTXIQN-CQSZACIVSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267989558 900207969 /nfs/dbraw/zinc/20/79/69/900207969.db2.gz MOPWKSIHORQJIL-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001481350337 900474727 /nfs/dbraw/zinc/47/47/27/900474727.db2.gz LCHYHZXUDBDDDJ-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001268226367 901605749 /nfs/dbraw/zinc/60/57/49/901605749.db2.gz IOTQMOCCYJWRFT-KBPBESRZSA-N 2 0 267.417 1.245 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001268227041 901606910 /nfs/dbraw/zinc/60/69/10/901606910.db2.gz HKEQJJLVVIVUGF-ZDUSSCGKSA-N 2 0 255.406 1.243 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)C(C)C ZINC001268228403 901607459 /nfs/dbraw/zinc/60/74/59/901607459.db2.gz WALXSLCUCFFSFH-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001268252816 901671404 /nfs/dbraw/zinc/67/14/04/901671404.db2.gz GQEVBJDLMGOHIF-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001268293452 901770089 /nfs/dbraw/zinc/77/00/89/901770089.db2.gz CJBRNSKGRSWCOH-HZPDHXFCSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001268377109 901958080 /nfs/dbraw/zinc/95/80/80/901958080.db2.gz GQNWGKIHXLPEBO-ZDUSSCGKSA-N 2 0 298.390 1.764 10 30 CDEERP CC#CC[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001481749271 902011676 /nfs/dbraw/zinc/01/16/76/902011676.db2.gz PNFQZRLUICYTFT-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001481910338 902301823 /nfs/dbraw/zinc/30/18/23/902301823.db2.gz KANONAOZJNNSQN-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001482110191 902658149 /nfs/dbraw/zinc/65/81/49/902658149.db2.gz LXUNSTLRLCXTJW-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001268582111 902665564 /nfs/dbraw/zinc/66/55/64/902665564.db2.gz GAKWEDJTJLGGBE-YVACAVLKSA-N 2 0 277.412 1.004 10 30 CDEERP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268625667 902838195 /nfs/dbraw/zinc/83/81/95/902838195.db2.gz IUTHTWPTJMFDCQ-NHQLZKDQSA-N 2 0 279.428 1.555 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001268858115 903184517 /nfs/dbraw/zinc/18/45/17/903184517.db2.gz CHQCHUFWRKVKTE-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001268969958 903287941 /nfs/dbraw/zinc/28/79/41/903287941.db2.gz QVYXDYXLFRPUMQ-SOUVJXGZSA-N 2 0 279.428 1.578 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC001269097181 903413257 /nfs/dbraw/zinc/41/32/57/903413257.db2.gz UCFVNTXFBCEHER-KRWDZBQOSA-N 2 0 299.418 1.332 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001269471930 903840625 /nfs/dbraw/zinc/84/06/25/903840625.db2.gz QJMBYESEYMAUEH-CQSZACIVSA-N 2 0 281.444 1.472 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001269510620 903875948 /nfs/dbraw/zinc/87/59/48/903875948.db2.gz RMSGPFCPSNGCSD-GJZGRUSLSA-N 2 0 297.443 1.015 10 30 CDEERP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001270041323 904299527 /nfs/dbraw/zinc/29/95/27/904299527.db2.gz COKMHXQFDHBSRQ-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001270158673 904402561 /nfs/dbraw/zinc/40/25/61/904402561.db2.gz WXDSHJGDUQJCDR-OAHLLOKOSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001270558316 904727483 /nfs/dbraw/zinc/72/74/83/904727483.db2.gz CJSDVOICHNTDKS-OAHLLOKOSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482304689 904844218 /nfs/dbraw/zinc/84/42/18/904844218.db2.gz RMCRHUHNAHEZDT-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CCCC1 ZINC001270811732 905078575 /nfs/dbraw/zinc/07/85/75/905078575.db2.gz HEVRLOBUJSOYKL-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001271052524 905590278 /nfs/dbraw/zinc/59/02/78/905590278.db2.gz VOJIXXFMCGVZSS-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001482459374 905685138 /nfs/dbraw/zinc/68/51/38/905685138.db2.gz XWIFRQCDUUMDHE-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001271532137 906502208 /nfs/dbraw/zinc/50/22/08/906502208.db2.gz VAODRTPQOCIABC-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001505456247 906995291 /nfs/dbraw/zinc/99/52/91/906995291.db2.gz QQSRZIZAKUSMHF-GJZGRUSLSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001273053184 921837957 /nfs/dbraw/zinc/83/79/57/921837957.db2.gz VLEWEJSNJNNSAT-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567914185 1169063605 /nfs/dbraw/zinc/06/36/05/1169063605.db2.gz ARFLMWKDCMKRHT-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001272992411 921335105 /nfs/dbraw/zinc/33/51/05/921335105.db2.gz CAGWGQYGXGUBLB-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001272993000 921343182 /nfs/dbraw/zinc/34/31/82/921343182.db2.gz GRPIKKUGEJCDTJ-CQSZACIVSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001482666530 908160671 /nfs/dbraw/zinc/16/06/71/908160671.db2.gz PRZHZUWBZIANGT-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCCC[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483008372 908684902 /nfs/dbraw/zinc/68/49/02/908684902.db2.gz IUHVEESVCRCPSX-JFDDCEBESA-N 2 0 291.439 1.556 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273017802 921564624 /nfs/dbraw/zinc/56/46/24/921564624.db2.gz RWQUTDMWRAOSDA-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001483471108 911161133 /nfs/dbraw/zinc/16/11/33/911161133.db2.gz WJDFIJGDHHQKGB-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001483836875 915114838 /nfs/dbraw/zinc/11/48/38/915114838.db2.gz OSPDPUBOIKVKNW-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001483955727 915241378 /nfs/dbraw/zinc/24/13/78/915241378.db2.gz PWOPRWSLKKHKGR-AWEZNQCLSA-N 2 0 265.401 1.239 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001484660543 916007565 /nfs/dbraw/zinc/00/75/65/916007565.db2.gz IPSRKNCHCVNDDA-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485192941 916654092 /nfs/dbraw/zinc/65/40/92/916654092.db2.gz YPFAVPSCFLFVOI-VXGBXAGGSA-N 2 0 287.835 1.564 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485192847 916654617 /nfs/dbraw/zinc/65/46/17/916654617.db2.gz XMKTZFGLGYUBAJ-MNOVXSKESA-N 2 0 261.797 1.173 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001485388240 916936696 /nfs/dbraw/zinc/93/66/96/916936696.db2.gz LFRJKHAKJLUTNA-AWEZNQCLSA-N 2 0 287.407 1.432 10 30 CDEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)C[N@H+](C)C(C)C)C(C)C ZINC001485440950 916970507 /nfs/dbraw/zinc/97/05/07/916970507.db2.gz CMBXHIFNXAKLPV-INIZCTEOSA-N 2 0 295.471 1.813 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001485507568 917050933 /nfs/dbraw/zinc/05/09/33/917050933.db2.gz XMXMBHFWYWYURG-DZGCQCFKSA-N 2 0 299.434 1.679 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001273484381 918864290 /nfs/dbraw/zinc/86/42/90/918864290.db2.gz YCJIBIZNQLQNAN-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001266191619 936568340 /nfs/dbraw/zinc/56/83/40/936568340.db2.gz GOBVVQXQSBHFBP-AWEZNQCLSA-N 2 0 267.417 1.533 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485922658 920578981 /nfs/dbraw/zinc/57/89/81/920578981.db2.gz PCDVAZZUGPJSPK-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001486120488 920731689 /nfs/dbraw/zinc/73/16/89/920731689.db2.gz BSKRYVQNPIRJKC-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001486248040 920840307 /nfs/dbraw/zinc/84/03/07/920840307.db2.gz RDXVMSWJFWQTAF-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001486248819 920841891 /nfs/dbraw/zinc/84/18/91/920841891.db2.gz YOZINDLHWQKTRS-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001491031106 936844187 /nfs/dbraw/zinc/84/41/87/936844187.db2.gz HGGHAMDLXLBXTL-XHSDSOJGSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491111994 936858181 /nfs/dbraw/zinc/85/81/81/936858181.db2.gz XBKRDCBHRNPMDA-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001491252875 936884065 /nfs/dbraw/zinc/88/40/65/936884065.db2.gz GDCYIDGEXQQILF-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001273726995 924965218 /nfs/dbraw/zinc/96/52/18/924965218.db2.gz OSPDHYKWWYJQPP-INIZCTEOSA-N 2 0 279.428 1.487 10 30 CDEERP C=CCC[NH2+]C1(CC)CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001273789385 925885124 /nfs/dbraw/zinc/88/51/24/925885124.db2.gz HFILVQFILDWWCZ-UHFFFAOYSA-N 2 0 290.411 1.889 10 30 CDEERP C=C(C)CC[N@H+](CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001490355833 927155332 /nfs/dbraw/zinc/15/53/32/927155332.db2.gz SQDMRJTZKBIWDO-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001274447334 931501208 /nfs/dbraw/zinc/50/12/08/931501208.db2.gz VWGFKCPXPFZMFL-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CCc1cncn1C ZINC001275001789 931631531 /nfs/dbraw/zinc/63/15/31/931631531.db2.gz RMTNHJNKWCYUEK-CYBMUJFWSA-N 2 0 278.400 1.413 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001275115619 931668855 /nfs/dbraw/zinc/66/88/55/931668855.db2.gz PORZTWVTJSVNIN-HNNXBMFYSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001276188288 932621788 /nfs/dbraw/zinc/62/17/88/932621788.db2.gz GUQOATPZMSFJQB-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001122057012 937902530 /nfs/dbraw/zinc/90/25/30/937902530.db2.gz YYEUJZRQYHKBKL-HZPDHXFCSA-N 2 0 293.455 1.908 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC001122103024 937905483 /nfs/dbraw/zinc/90/54/83/937905483.db2.gz RZYQXAJOVLENTI-STQMWFEESA-N 2 0 267.417 1.564 10 30 CDEERP C=C[C@H](COC)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001205489331 939893405 /nfs/dbraw/zinc/89/34/05/939893405.db2.gz OMMGWJXNKTYOMQ-QQFBHYJXSA-N 2 0 282.428 1.811 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001568714353 1169442960 /nfs/dbraw/zinc/44/29/60/1169442960.db2.gz SZWULPUVJKUHMU-OAHLLOKOSA-N 2 0 281.444 1.923 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CCC=C)CC1 ZINC001568713738 1169443072 /nfs/dbraw/zinc/44/30/72/1169443072.db2.gz JAICOPSGOFKKFS-OAHLLOKOSA-N 2 0 291.439 1.392 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCC1 ZINC001280533574 942458611 /nfs/dbraw/zinc/45/86/11/942458611.db2.gz CKCAOUXWIWWMAL-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001281450156 942577952 /nfs/dbraw/zinc/57/79/52/942577952.db2.gz IBRNCNVHKCHUFW-HOCLYGCPSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001282956754 942789532 /nfs/dbraw/zinc/78/95/32/942789532.db2.gz BCYIDZSXMVOIGJ-ARFHVFGLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001283617679 942950062 /nfs/dbraw/zinc/95/00/62/942950062.db2.gz KFJPDUROUYPSOU-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)Cc1c[nH]cn1)C(C)(C)C ZINC001284632069 943228816 /nfs/dbraw/zinc/22/88/16/943228816.db2.gz QVAQCKLRBVCCDM-GFCCVEGCSA-N 2 0 264.373 1.259 10 30 CDEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001284695698 943244617 /nfs/dbraw/zinc/24/46/17/943244617.db2.gz VRXGRBFXSIJTIA-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001264127607 944084167 /nfs/dbraw/zinc/08/41/67/944084167.db2.gz IYPYGHGHQUCVAB-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001264195501 944097339 /nfs/dbraw/zinc/09/73/39/944097339.db2.gz UDZDNEUHAZQNTI-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC)[NH+](C)C ZINC001264559381 944148823 /nfs/dbraw/zinc/14/88/23/944148823.db2.gz DEOZENIAGHMENL-PMPSAXMXSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC ZINC001264623502 944153737 /nfs/dbraw/zinc/15/37/37/944153737.db2.gz CPCZEOZWZPLEJX-RRFJBIMHSA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001265543030 944423495 /nfs/dbraw/zinc/42/34/95/944423495.db2.gz CGGISPCPBZDPLG-ZNMIVQPWSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001265684322 944468298 /nfs/dbraw/zinc/46/82/98/944468298.db2.gz TUDHFERKSLFNOT-AWEZNQCLSA-N 2 0 276.384 1.499 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001278079637 944714137 /nfs/dbraw/zinc/71/41/37/944714137.db2.gz KTCZLTHXMFWREL-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266153183 944718498 /nfs/dbraw/zinc/71/84/98/944718498.db2.gz ZTWVNFAZHOIRQQ-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001479368026 971313605 /nfs/dbraw/zinc/31/36/05/971313605.db2.gz APLHWSAOVXABCN-BZUAXINKSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001278459801 948383604 /nfs/dbraw/zinc/38/36/04/948383604.db2.gz OHOCCMMLRZCJIH-GOEBONIOSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278572712 950215712 /nfs/dbraw/zinc/21/57/12/950215712.db2.gz QKKMQQMLGJRRJL-GDBMZVCRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001480299672 971663613 /nfs/dbraw/zinc/66/36/13/971663613.db2.gz GJQGJZAHKDJROD-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCOCC1 ZINC001278728926 951944665 /nfs/dbraw/zinc/94/46/65/951944665.db2.gz XNTBJQKUGGELGX-AWEZNQCLSA-N 2 0 297.443 1.158 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001480813468 971890839 /nfs/dbraw/zinc/89/08/39/971890839.db2.gz HFQXRMONQFOFGD-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001325915991 954138706 /nfs/dbraw/zinc/13/87/06/954138706.db2.gz HFLZMYBYLRQKQB-LSDHHAIUSA-N 2 0 279.428 1.578 10 30 CDEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001491960603 955544791 /nfs/dbraw/zinc/54/47/91/955544791.db2.gz WKYYSIWHGLDHDA-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001329032530 955641247 /nfs/dbraw/zinc/64/12/47/955641247.db2.gz GLBSGHAEKOIJKB-KGLIPLIRSA-N 2 0 279.428 1.367 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc2nccn21 ZINC001329086079 955677681 /nfs/dbraw/zinc/67/76/81/955677681.db2.gz MVRWGCHJSNQEDO-CHWSQXEVSA-N 2 0 284.363 1.454 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)CC[N@@H+](C)CC ZINC001329344825 955837512 /nfs/dbraw/zinc/83/75/12/955837512.db2.gz FOXIKGMQROTCCU-UHFFFAOYSA-N 2 0 281.444 1.426 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C[NH+](C)C(C)C)C(C)C ZINC001493878558 972132331 /nfs/dbraw/zinc/13/23/31/972132331.db2.gz KSXOAWOLVFEXOE-UHFFFAOYSA-N 2 0 281.444 1.567 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001330708725 956581649 /nfs/dbraw/zinc/58/16/49/956581649.db2.gz ORPBITSBRMLZKZ-JYJNAYRXSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([NH3+])(CC)CC1 ZINC001330959657 956729827 /nfs/dbraw/zinc/72/98/27/956729827.db2.gz CQKDWYZXQBXHFB-SNVBAGLBSA-N 2 0 259.781 1.186 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001317011969 956926799 /nfs/dbraw/zinc/92/67/99/956926799.db2.gz FSSOKVGEQPLEHI-CVEARBPZSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001331347758 956983004 /nfs/dbraw/zinc/98/30/04/956983004.db2.gz OPHXGTBUQSKQIM-HZPDHXFCSA-N 2 0 295.471 1.975 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001331490494 957098838 /nfs/dbraw/zinc/09/88/38/957098838.db2.gz GQPUITUNBARDEB-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001331528965 957120518 /nfs/dbraw/zinc/12/05/18/957120518.db2.gz HTWGQLDTWPCPKY-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001317157019 957311665 /nfs/dbraw/zinc/31/16/65/957311665.db2.gz CHDYJPASYLJLQB-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001317183729 957329273 /nfs/dbraw/zinc/32/92/73/957329273.db2.gz IPOHMPAVNQGVSV-UONOGXRCSA-N 2 0 265.401 1.237 10 30 CDEERP C#CC[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001317517573 957525987 /nfs/dbraw/zinc/52/59/87/957525987.db2.gz SLQOJEODOTYWPD-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317530354 957530779 /nfs/dbraw/zinc/53/07/79/957530779.db2.gz WNCZAXBVFRKOGO-HNNXBMFYSA-N 2 0 293.455 1.426 10 30 CDEERP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001318228846 957987272 /nfs/dbraw/zinc/98/72/72/957987272.db2.gz UIWOPYCYHDIYRM-HOTGVXAUSA-N 2 0 291.439 1.724 10 30 CDEERP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001333042617 958040216 /nfs/dbraw/zinc/04/02/16/958040216.db2.gz ILNFESCDBVJTMV-NRXISQOPSA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001318560715 958173838 /nfs/dbraw/zinc/17/38/38/958173838.db2.gz CONSESVROXJEKR-IHRRRGAJSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001319040327 958345969 /nfs/dbraw/zinc/34/59/69/958345969.db2.gz YFIPCLROTYSLLI-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001319644381 958671276 /nfs/dbraw/zinc/67/12/76/958671276.db2.gz ZCJNZLZYMHNAJA-LSDHHAIUSA-N 2 0 279.428 1.082 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001319821195 958738872 /nfs/dbraw/zinc/73/88/72/958738872.db2.gz ZTTDYGKDBLHVQV-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001319867283 958761043 /nfs/dbraw/zinc/76/10/43/958761043.db2.gz BRIUXWBWKFEVRR-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320841512 959420198 /nfs/dbraw/zinc/42/01/98/959420198.db2.gz ZHOYCXCAAUHKRK-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001369564936 959761152 /nfs/dbraw/zinc/76/11/52/959761152.db2.gz QZVXHCZVYROUJL-LBPRGKRZSA-N 2 0 289.851 1.811 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001321514634 959830908 /nfs/dbraw/zinc/83/09/08/959830908.db2.gz YOHJTAQMSGJVOL-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CC ZINC001569343108 1169773188 /nfs/dbraw/zinc/77/31/88/1169773188.db2.gz PCTTVYYXCWRYQO-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001419913886 962230735 /nfs/dbraw/zinc/23/07/35/962230735.db2.gz YOFIDUZZGUEIHR-RYUDHWBXSA-N 2 0 273.808 1.175 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC001341407784 963403835 /nfs/dbraw/zinc/40/38/35/963403835.db2.gz RXJDAFAOVNRGMA-CQSZACIVSA-N 2 0 281.444 1.894 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001441378941 964480967 /nfs/dbraw/zinc/48/09/67/964480967.db2.gz NIEXCCZHCVKQCS-JOCQHMNTSA-N 2 0 297.830 1.319 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001495775510 972629470 /nfs/dbraw/zinc/62/94/70/972629470.db2.gz YGCHKOBKELPWHH-CQSZACIVSA-N 2 0 281.444 1.635 10 30 CDEERP C=CCC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001569650805 1169952835 /nfs/dbraw/zinc/95/28/35/1169952835.db2.gz ITGFLXGHOZYQTM-HNNXBMFYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001497728686 973481045 /nfs/dbraw/zinc/48/10/45/973481045.db2.gz BVNVMJWLCGMAIW-IBSYWUHOSA-N 2 0 299.418 1.575 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001569692757 1169968285 /nfs/dbraw/zinc/96/82/85/1169968285.db2.gz BFKNSOBMENBRTC-QGZVFWFLSA-N 2 0 291.439 1.324 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCCC ZINC001498998674 974155861 /nfs/dbraw/zinc/15/58/61/974155861.db2.gz QIGKFKIWDDVHDC-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCC1 ZINC001500111966 974376471 /nfs/dbraw/zinc/37/64/71/974376471.db2.gz SBQOZEGDVHVTED-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001501083407 974529995 /nfs/dbraw/zinc/52/99/95/974529995.db2.gz IAHHCIUNYJTZNJ-LSDHHAIUSA-N 2 0 291.439 1.485 10 30 CDEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001501679415 974622435 /nfs/dbraw/zinc/62/24/35/974622435.db2.gz PDRWFUPCHNQTIK-AWEZNQCLSA-N 2 0 287.407 1.538 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001505456053 974884944 /nfs/dbraw/zinc/88/49/44/974884944.db2.gz NQJWWOZJBIURJH-OAHLLOKOSA-N 2 0 291.439 1.581 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001505456022 974885803 /nfs/dbraw/zinc/88/58/03/974885803.db2.gz NBPTVIWMQWJPFP-HZPDHXFCSA-N 2 0 293.455 1.519 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001505686681 974963686 /nfs/dbraw/zinc/96/36/86/974963686.db2.gz SRBYMBXFBVFVET-QWHCGFSZSA-N 2 0 255.406 1.387 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001506675270 975202554 /nfs/dbraw/zinc/20/25/54/975202554.db2.gz JXLQXJRMUQIIKQ-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001407555529 976687373 /nfs/dbraw/zinc/68/73/73/976687373.db2.gz VOBMEXPUYBKVJQ-OLZOCXBDSA-N 2 0 287.835 1.517 10 30 CDEERP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001674496284 1173953953 /nfs/dbraw/zinc/95/39/53/1173953953.db2.gz VCBORPQVEWRVQH-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCCCC1 ZINC001675185293 1174082673 /nfs/dbraw/zinc/08/26/73/1174082673.db2.gz QMAKDEBQZBTSDJ-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[N@@H+](C)CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001677198978 1174331524 /nfs/dbraw/zinc/33/15/24/1174331524.db2.gz NTOGMWDGPIEBGI-INIZCTEOSA-N 2 0 293.455 1.683 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001569968493 1170049850 /nfs/dbraw/zinc/04/98/50/1170049850.db2.gz JXYIVHMQOKFBDS-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001570115361 1170084572 /nfs/dbraw/zinc/08/45/72/1170084572.db2.gz NQXFOLWFRPEYDK-UHFFFAOYSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001570386257 1170149499 /nfs/dbraw/zinc/14/94/99/1170149499.db2.gz WYRDDWFJFARUEV-UHFFFAOYSA-N 2 0 265.401 1.239 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001570715922 1170251278 /nfs/dbraw/zinc/25/12/78/1170251278.db2.gz JVPWCWUYZNOYEB-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001571281032 1170358415 /nfs/dbraw/zinc/35/84/15/1170358415.db2.gz URNPOTSSNAAXSI-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001571624303 1170500231 /nfs/dbraw/zinc/50/02/31/1170500231.db2.gz HQQFIQAFNRTARU-CABCVRRESA-N 2 0 293.455 1.635 10 30 CDEERP C#CC[NH+]1CCC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001571650375 1170509455 /nfs/dbraw/zinc/50/94/55/1170509455.db2.gz POPVTLLQSLTVDY-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP N#Cc1ccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000592470983 342698244 /nfs/dbraw/zinc/69/82/44/342698244.db2.gz RFVGUIMVEUMVIK-HRCADAONSA-N 2 0 285.391 1.915 10 30 CDEERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439784 342906771 /nfs/dbraw/zinc/90/67/71/342906771.db2.gz ZSVCYMRGBXTVOQ-GJZGRUSLSA-N 2 0 294.443 1.492 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000594443238 342908002 /nfs/dbraw/zinc/90/80/02/342908002.db2.gz BDBHPZAMWSTJLE-OLZOCXBDSA-N 2 0 266.389 1.128 10 30 CDEERP C[C@@H](CC[NH2+]C[C@H](O)CC1(C#N)CC1)[NH+]1CCCCC1 ZINC000600733812 342245998 /nfs/dbraw/zinc/24/59/98/342245998.db2.gz FKQLMAZBLVXOSJ-LSDHHAIUSA-N 2 0 279.428 1.895 10 30 CDEERP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600735567 342246284 /nfs/dbraw/zinc/24/62/84/342246284.db2.gz LFUMJKIUKJFLDM-ZIAGYGMSSA-N 2 0 265.401 1.363 10 30 CDEERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000595943072 343204338 /nfs/dbraw/zinc/20/43/38/343204338.db2.gz IGURPRXXMUJOLW-CABCVRRESA-N 2 0 294.443 1.634 10 30 CDEERP C[C@H](C#N)CN(C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000596692420 343373554 /nfs/dbraw/zinc/37/35/54/343373554.db2.gz FXTGFVLAMSAYNJ-KGLIPLIRSA-N 2 0 297.447 1.059 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CC#N ZINC000597051982 343442112 /nfs/dbraw/zinc/44/21/12/343442112.db2.gz HSCNXQWZOIYJMI-GJZGRUSLSA-N 2 0 294.443 1.411 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001661686151 1172427192 /nfs/dbraw/zinc/42/71/92/1172427192.db2.gz IWVKVUGSFDVNLM-GASCZTMLSA-N 2 0 279.428 1.675 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661734124 1172437707 /nfs/dbraw/zinc/43/77/07/1172437707.db2.gz PGBISPBWOOGOIQ-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246623575 376957701 /nfs/dbraw/zinc/95/77/01/376957701.db2.gz BZFSIHJEAHOSDF-ILXRZTDVSA-N 2 0 254.418 1.976 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC[C@H](C[NH2+]C)C2)CCC[NH2+]1 ZINC000662391818 412952326 /nfs/dbraw/zinc/95/23/26/412952326.db2.gz JQMFSXLFFIVLOI-HIFRSBDPSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000662423916 413001265 /nfs/dbraw/zinc/00/12/65/413001265.db2.gz PPRNVIRKWLBFBL-UMVBOHGHSA-N 2 0 265.401 1.271 10 30 CDEERP C=CC[C@@]1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCC[NH2+]1 ZINC000662711438 413364007 /nfs/dbraw/zinc/36/40/07/413364007.db2.gz BFYBYTYACKEJNH-INIZCTEOSA-N 2 0 297.362 1.904 10 30 CDEERP C=CC[C@]1(C(=O)N(CC)CCC[NH+](C)C)CCC[NH2+]1 ZINC000662795459 413516513 /nfs/dbraw/zinc/51/65/13/413516513.db2.gz PCYBPXKOUVOONH-OAHLLOKOSA-N 2 0 267.417 1.485 10 30 CDEERP CC(C)N[C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190769 176068862 /nfs/dbraw/zinc/06/88/62/176068862.db2.gz GBWLVBXAIYLVEE-HOTGVXAUSA-N 2 0 280.460 1.930 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCC1 ZINC001666787519 1173185800 /nfs/dbraw/zinc/18/58/00/1173185800.db2.gz SWVWXRYIFFUERM-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001669381983 1173543208 /nfs/dbraw/zinc/54/32/08/1173543208.db2.gz VHHSVMYZTNCXOU-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001670139322 1173657502 /nfs/dbraw/zinc/65/75/02/1173657502.db2.gz XRGXDVPVUSGOCE-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001725506102 1159248133 /nfs/dbraw/zinc/24/81/33/1159248133.db2.gz SRADDAGUZNFXCF-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001700183752 1176785878 /nfs/dbraw/zinc/78/58/78/1176785878.db2.gz GJOCAFCFAPUPKK-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001481857315 1159950872 /nfs/dbraw/zinc/95/08/72/1159950872.db2.gz UUZJLAAUWGGONN-HZPDHXFCSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691670130 1161485628 /nfs/dbraw/zinc/48/56/28/1161485628.db2.gz IGVVLMFFXORJEZ-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH+](CC=C)C[C@@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052376693 518771234 /nfs/dbraw/zinc/77/12/34/518771234.db2.gz DDBMDALRNRJBJC-GJZGRUSLSA-N 2 0 250.386 1.960 10 30 CDEERP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#CC[NH3+])cc1 ZINC000049609835 523350504 /nfs/dbraw/zinc/35/05/04/523350504.db2.gz NTTIABHGYVEOGJ-PBHICJAKSA-N 2 0 272.392 1.996 10 30 CDEERP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCCC[C@H]1CO ZINC000049609782 523512658 /nfs/dbraw/zinc/51/26/58/523512658.db2.gz FRHQBFSYPQYDIF-INIZCTEOSA-N 2 0 288.391 1.352 10 30 CDEERP [NH3+]CC#Cc1cc(CN2CC[NH+](C3CC3)CC2)ccc1F ZINC000049609951 527147717 /nfs/dbraw/zinc/14/77/17/527147717.db2.gz HIMOGQRBATYLFH-UHFFFAOYSA-N 2 0 287.382 1.416 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001689801768 1175262450 /nfs/dbraw/zinc/26/24/50/1175262450.db2.gz AUEITGGJCDSFEF-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP CC[N@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)C(C)C ZINC000848412720 617439810 /nfs/dbraw/zinc/43/98/10/617439810.db2.gz AGOUAJFPIJESOA-CYBMUJFWSA-N 2 0 268.405 1.244 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000900187815 622783475 /nfs/dbraw/zinc/78/34/75/622783475.db2.gz KBFYGBMMNVPAFD-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000900541222 623221355 /nfs/dbraw/zinc/22/13/55/623221355.db2.gz CAAFEAGEYFDPJR-LBPRGKRZSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000901174019 623955885 /nfs/dbraw/zinc/95/58/85/623955885.db2.gz JYURRBMGZYWRQR-UHFFFAOYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001691187827 1158951537 /nfs/dbraw/zinc/95/15/37/1158951537.db2.gz WDQLDQHYPUNPHF-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001691184161 1158950393 /nfs/dbraw/zinc/95/03/93/1158950393.db2.gz BXRRIUVTZYWVJV-LVQVYYBASA-N 2 0 293.455 1.777 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001691845619 1161489585 /nfs/dbraw/zinc/48/95/85/1161489585.db2.gz HXDLEPOLRHTBHS-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872277048 1165408370 /nfs/dbraw/zinc/40/83/70/1165408370.db2.gz OBXVASQKKCGDER-QWRGUYRKSA-N 2 0 273.808 1.351 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC001632949996 1166387847 /nfs/dbraw/zinc/38/78/47/1166387847.db2.gz JMXGGRUFDSQXGB-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C=CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001566590274 1168350439 /nfs/dbraw/zinc/35/04/39/1168350439.db2.gz MUUXYSCIQHVLTL-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001566699159 1168391197 /nfs/dbraw/zinc/39/11/97/1168391197.db2.gz DUNUMEWPWKTIKW-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC001567666268 1168909835 /nfs/dbraw/zinc/90/98/35/1168909835.db2.gz WMOMOTRKJGTWIV-INIZCTEOSA-N 2 0 287.407 1.407 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001568545864 1169358151 /nfs/dbraw/zinc/35/81/51/1169358151.db2.gz UJDHQXFYZQGTOL-KBPBESRZSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001568867025 1169525573 /nfs/dbraw/zinc/52/55/73/1169525573.db2.gz ZSEYOQRKLJEDQT-YBJDMEARSA-N 2 0 287.835 1.587 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001569562801 1169925442 /nfs/dbraw/zinc/92/54/42/1169925442.db2.gz ZFIYUHUTVRMGGO-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001570384479 1170147858 /nfs/dbraw/zinc/14/78/58/1170147858.db2.gz MAXMOBATPFGBOS-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001571351496 1170378992 /nfs/dbraw/zinc/37/89/92/1170378992.db2.gz WYKBGOZXIKCTAG-LSDHHAIUSA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001656346235 1171809932 /nfs/dbraw/zinc/80/99/32/1171809932.db2.gz QIYCDOSYXWRVLW-QLFBSQMISA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001661832937 1172452460 /nfs/dbraw/zinc/45/24/60/1172452460.db2.gz RXNOQWHXUOBNCV-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001661881037 1172463011 /nfs/dbraw/zinc/46/30/11/1172463011.db2.gz RALBKFHHCUYXPA-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001663683906 1172747092 /nfs/dbraw/zinc/74/70/92/1172747092.db2.gz KPDJTSNBUGDLHE-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]C(C)C)CC1 ZINC001665887437 1173079591 /nfs/dbraw/zinc/07/95/91/1173079591.db2.gz ADNDPSJCHVNZJG-HNNXBMFYSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001667493205 1173275431 /nfs/dbraw/zinc/27/54/31/1173275431.db2.gz GZUDGUUFGNCUKW-HNNXBMFYSA-N 2 0 295.471 1.718 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001672209493 1173752391 /nfs/dbraw/zinc/75/23/91/1173752391.db2.gz OZHBTBJZVPFARO-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001672327410 1173766584 /nfs/dbraw/zinc/76/65/84/1173766584.db2.gz ICFIICQWMCPVHF-JKSUJKDBSA-N 2 0 293.455 1.426 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCCF)CC1 ZINC001675051479 1174067333 /nfs/dbraw/zinc/06/73/33/1174067333.db2.gz ZLYZILZRVKKYFS-CQSZACIVSA-N 2 0 297.418 1.128 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001675818383 1174150872 /nfs/dbraw/zinc/15/08/72/1174150872.db2.gz GTLBIEHRCXPSLT-SHTZXODSSA-N 2 0 291.439 1.533 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001690291783 1175427574 /nfs/dbraw/zinc/42/75/74/1175427574.db2.gz AFEAAVZDUHFEQY-FPCVCCKLSA-N 2 0 291.439 1.816 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001690302010 1175432005 /nfs/dbraw/zinc/43/20/05/1175432005.db2.gz SJTYVWHFXGNYGH-JYJNAYRXSA-N 2 0 293.455 1.920 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001690862967 1175593795 /nfs/dbraw/zinc/59/37/95/1175593795.db2.gz QIMHMJFNYZHLGZ-CYBMUJFWSA-N 2 0 267.417 1.082 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001691861080 1175637651 /nfs/dbraw/zinc/63/76/51/1175637651.db2.gz PZCBMKMMSACUJX-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH+]1CC[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001691909667 1175649825 /nfs/dbraw/zinc/64/98/25/1175649825.db2.gz ZRUINPIIASMRKB-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001691994633 1175663996 /nfs/dbraw/zinc/66/39/96/1175663996.db2.gz IRRBBNPKFLCYTI-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001692098420 1175677123 /nfs/dbraw/zinc/67/71/23/1175677123.db2.gz XGGJEWWRQWCQCV-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001699028937 1176049684 /nfs/dbraw/zinc/04/96/84/1176049684.db2.gz NTRXCOMCDWVKLV-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001699450910 1176414605 /nfs/dbraw/zinc/41/46/05/1176414605.db2.gz NLHDZXCCDGUWRI-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001699702983 1176570990 /nfs/dbraw/zinc/57/09/90/1176570990.db2.gz DIJUPTLNIVYLLZ-QGZVFWFLSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001700132065 1176763742 /nfs/dbraw/zinc/76/37/42/1176763742.db2.gz NYPMOLDPUCBNAU-UHFFFAOYSA-N 2 0 277.412 1.123 10 30 CDEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001700224441 1176806669 /nfs/dbraw/zinc/80/66/69/1176806669.db2.gz GCBYNJLUSLNFDM-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001700272682 1176827046 /nfs/dbraw/zinc/82/70/46/1176827046.db2.gz QMTCBJRLUHHLKJ-LSDHHAIUSA-N 2 0 293.455 1.424 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001700373075 1176880642 /nfs/dbraw/zinc/88/06/42/1176880642.db2.gz FOBMTUATYUXZAX-SSHXOBKSSA-N 2 0 293.455 1.777 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001700481489 1176971730 /nfs/dbraw/zinc/97/17/30/1176971730.db2.gz SAVXOJBGRUZEBL-CQSZACIVSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001700828651 1177152536 /nfs/dbraw/zinc/15/25/36/1177152536.db2.gz LAYVLQAWCNBFCR-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001700849098 1177165037 /nfs/dbraw/zinc/16/50/37/1177165037.db2.gz XISXCOGBGHPIMZ-GOEBONIOSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001700885480 1177178446 /nfs/dbraw/zinc/17/84/46/1177178446.db2.gz POWQNHNDXISFMJ-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001707256021 1177982208 /nfs/dbraw/zinc/98/22/08/1177982208.db2.gz ONGGQWRMCUNTNN-HIFRSBDPSA-N 2 0 277.412 1.073 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001707275333 1177989405 /nfs/dbraw/zinc/98/94/05/1177989405.db2.gz MZFNIXNCQBYARC-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001713447838 1178566299 /nfs/dbraw/zinc/56/62/99/1178566299.db2.gz IMUDZSILDZTZBH-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCCC[N@@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001713495860 1178607384 /nfs/dbraw/zinc/60/73/84/1178607384.db2.gz DSTYVKHQYMETNE-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001713542048 1178635325 /nfs/dbraw/zinc/63/53/25/1178635325.db2.gz PTIWQTCGJLEOGT-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001713644116 1178693263 /nfs/dbraw/zinc/69/32/63/1178693263.db2.gz WPNFUIDZKPCILW-ZIAGYGMSSA-N 2 0 265.401 1.237 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001713758998 1178741234 /nfs/dbraw/zinc/74/12/34/1178741234.db2.gz ITZDVNBTNFHHJH-HUUCEWRRSA-N 2 0 279.428 1.295 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001713775286 1178746815 /nfs/dbraw/zinc/74/68/15/1178746815.db2.gz HHPSARJUAYGWDQ-UHFFFAOYSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713924604 1178851005 /nfs/dbraw/zinc/85/10/05/1178851005.db2.gz KWDGAZKDKCDUGL-HIFRSBDPSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001713940902 1178868348 /nfs/dbraw/zinc/86/83/48/1178868348.db2.gz QGUQVHZEKQGUDB-GJZGRUSLSA-N 2 0 277.412 1.027 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001714014054 1178928766 /nfs/dbraw/zinc/92/87/66/1178928766.db2.gz KREMZTUUUFUDAX-CABCVRRESA-N 2 0 281.444 1.826 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001714049575 1178945916 /nfs/dbraw/zinc/94/59/16/1178945916.db2.gz KMLLKEWAVUUFIN-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001714559341 1179217429 /nfs/dbraw/zinc/21/74/29/1179217429.db2.gz DMGWBTKGPQUHNF-UHFFFAOYSA-N 2 0 269.433 1.588 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001714570260 1179226531 /nfs/dbraw/zinc/22/65/31/1179226531.db2.gz DYXIDWMAKRJAEJ-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001714831265 1179413892 /nfs/dbraw/zinc/41/38/92/1179413892.db2.gz WRZKUHKYSAQOGP-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](CC)CC)CCCC1 ZINC001715101230 1179551045 /nfs/dbraw/zinc/55/10/45/1179551045.db2.gz ZCCNBQFBQKNDHK-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001715191561 1179573023 /nfs/dbraw/zinc/57/30/23/1179573023.db2.gz TUFLLOCKTSCYJE-WKILWMFISA-N 2 0 293.455 1.759 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715328045 1179625792 /nfs/dbraw/zinc/62/57/92/1179625792.db2.gz HXNNXBIHPLIWHS-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001715334293 1179630567 /nfs/dbraw/zinc/63/05/67/1179630567.db2.gz CPKVSGLOLHTUKC-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715368846 1179646010 /nfs/dbraw/zinc/64/60/10/1179646010.db2.gz MJXOYOHGDUEJSY-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001715961329 1179943548 /nfs/dbraw/zinc/94/35/48/1179943548.db2.gz CCQGKQBYTOCEOD-LLVKDONJSA-N 2 0 261.797 1.173 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001716013605 1179985546 /nfs/dbraw/zinc/98/55/46/1179985546.db2.gz NGXFSBOPLOLJFC-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001716030227 1180005430 /nfs/dbraw/zinc/00/54/30/1180005430.db2.gz NUDYMRPPEJUPGV-ZIAGYGMSSA-N 2 0 267.417 1.482 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001716154303 1180074962 /nfs/dbraw/zinc/07/49/62/1180074962.db2.gz XNYBEAYBAZAAES-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716167946 1180080490 /nfs/dbraw/zinc/08/04/90/1180080490.db2.gz KXENUSKTIWYXPG-ILXRZTDVSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001716249164 1180118902 /nfs/dbraw/zinc/11/89/02/1180118902.db2.gz RKKDCPRKGTXSMP-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001716851079 1180441376 /nfs/dbraw/zinc/44/13/76/1180441376.db2.gz KGJSYZCURSUIMK-HNNXBMFYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001716984525 1180491406 /nfs/dbraw/zinc/49/14/06/1180491406.db2.gz KHIJYRJWKLLDQG-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001717118108 1180534811 /nfs/dbraw/zinc/53/48/11/1180534811.db2.gz MAKOFZGPKKDGRH-OAHLLOKOSA-N 2 0 299.418 1.682 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001717122434 1180536919 /nfs/dbraw/zinc/53/69/19/1180536919.db2.gz ICBPZKVXBPXCBS-HDJSIYSDSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001717376808 1180637854 /nfs/dbraw/zinc/63/78/54/1180637854.db2.gz YDZPGPUNRPMIIZ-INIZCTEOSA-N 2 0 291.439 1.418 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001717757848 1180832552 /nfs/dbraw/zinc/83/25/52/1180832552.db2.gz RIRZIJYMDRSAGH-CQSZACIVSA-N 2 0 269.433 1.729 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001717758233 1180833172 /nfs/dbraw/zinc/83/31/72/1180833172.db2.gz WBOODEFXCWPKBO-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001717886894 1180913756 /nfs/dbraw/zinc/91/37/56/1180913756.db2.gz IUCWEQYYKPOGMQ-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001722915893 1181493554 /nfs/dbraw/zinc/49/35/54/1181493554.db2.gz JDUWIOBGNNHFHD-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001722917169 1181494224 /nfs/dbraw/zinc/49/42/24/1181494224.db2.gz QUBJFUCDOOVAMU-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCOCC1 ZINC001724362678 1181667449 /nfs/dbraw/zinc/66/74/49/1181667449.db2.gz NUCJDIFKUYZKSU-UHFFFAOYSA-N 2 0 297.443 1.159 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001724556362 1181694107 /nfs/dbraw/zinc/69/41/07/1181694107.db2.gz XRVKZELHAWGRAY-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001724556740 1181694653 /nfs/dbraw/zinc/69/46/53/1181694653.db2.gz YZMBJZSYGONCPQ-ZIAGYGMSSA-N 2 0 277.412 1.095 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001724854040 1181775724 /nfs/dbraw/zinc/77/57/24/1181775724.db2.gz WHNYBXXMAVHFFZ-UHFFFAOYSA-N 2 0 291.439 1.418 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001725327074 1181962806 /nfs/dbraw/zinc/96/28/06/1181962806.db2.gz KZOOHKWRCRFIFZ-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001725458424 1182007484 /nfs/dbraw/zinc/00/74/84/1182007484.db2.gz YAAUJJOBIIFXBT-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001725475920 1182014059 /nfs/dbraw/zinc/01/40/59/1182014059.db2.gz PDRXBFDWCARBPW-HOTGVXAUSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001725593793 1182065419 /nfs/dbraw/zinc/06/54/19/1182065419.db2.gz OHMJQNYXWYVWGT-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001725637117 1182080820 /nfs/dbraw/zinc/08/08/20/1182080820.db2.gz QVXGDLPOLDHZCU-HUUCEWRRSA-N 2 0 289.423 1.123 10 30 CDEERP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001731270974 1182285583 /nfs/dbraw/zinc/28/55/83/1182285583.db2.gz FMMIORSSHFCHNR-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731455303 1182396789 /nfs/dbraw/zinc/39/67/89/1182396789.db2.gz OLKMPQXAZDRHFM-SHTZXODSSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001731466806 1182400356 /nfs/dbraw/zinc/40/03/56/1182400356.db2.gz DUTLHBGEBPPRQC-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001731506754 1182424835 /nfs/dbraw/zinc/42/48/35/1182424835.db2.gz IXEUJDWOBIVKAD-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001731516777 1182431025 /nfs/dbraw/zinc/43/10/25/1182431025.db2.gz ZEKDTJRRGYCXBO-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001731556727 1182446772 /nfs/dbraw/zinc/44/67/72/1182446772.db2.gz BIGRKCQJCZVVON-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001731636037 1182493314 /nfs/dbraw/zinc/49/33/14/1182493314.db2.gz ZXVOJSORMVBZMX-HOCLYGCPSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001731719238 1182528632 /nfs/dbraw/zinc/52/86/32/1182528632.db2.gz GLRAOVICKXXVJB-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001732134586 1182794073 /nfs/dbraw/zinc/79/40/73/1182794073.db2.gz PCQYWACDFHQTOV-AWEZNQCLSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001732189300 1182840507 /nfs/dbraw/zinc/84/05/07/1182840507.db2.gz HVWWUJPECYWNSY-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001732524914 1182996123 /nfs/dbraw/zinc/99/61/23/1182996123.db2.gz OOCKTUIXQQOQER-GOEBONIOSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001732605453 1183043522 /nfs/dbraw/zinc/04/35/22/1183043522.db2.gz ITCXPFWLIRIWRR-KGLIPLIRSA-N 2 0 265.401 1.047 10 30 CDEERP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001733409284 1183424477 /nfs/dbraw/zinc/42/44/77/1183424477.db2.gz BTMJBNMZAQHFLI-RDJZCZTQSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001733663423 1183491955 /nfs/dbraw/zinc/49/19/55/1183491955.db2.gz CNRCHXCKMWNFIY-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001733902244 1183562975 /nfs/dbraw/zinc/56/29/75/1183562975.db2.gz UOZPFWAHAORCFK-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001734250894 1183704812 /nfs/dbraw/zinc/70/48/12/1183704812.db2.gz LGYBTVYUDNWARZ-CQSZACIVSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001734294945 1183716640 /nfs/dbraw/zinc/71/66/40/1183716640.db2.gz HYTHUPYCUYCDCC-HNNXBMFYSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+](C)CCCC ZINC000876881376 1165933336 /nfs/dbraw/zinc/93/33/36/1165933336.db2.gz GJTQDJFSPZCCNB-NWDGAFQWSA-N 2 0 275.824 1.693 10 30 CDEERP C=C1CCC(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000724458645 797884882 /nfs/dbraw/zinc/88/48/82/797884882.db2.gz OOUIFHUNJMIAPE-OAHLLOKOSA-N 2 0 252.402 1.779 10 30 CDEERP C=CCN1CC[C@H]([N@@H+]2C[C@@]3(C)CN(C)C[C@@]3(C)C2)C1=O ZINC000931315326 798065597 /nfs/dbraw/zinc/06/55/97/798065597.db2.gz WSZAOFSTSGCMEL-CWRNSKLLSA-N 2 0 277.412 1.047 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567127193 1168580669 /nfs/dbraw/zinc/58/06/69/1168580669.db2.gz FHTOQSLQXAHDNJ-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001266617542 895597762 /nfs/dbraw/zinc/59/77/62/895597762.db2.gz NZSPRGVBBYDJJQ-HNNXBMFYSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001267272997 897435888 /nfs/dbraw/zinc/43/58/88/897435888.db2.gz BODJCAQNWXXIER-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cncn1C ZINC001267279366 897450772 /nfs/dbraw/zinc/45/07/72/897450772.db2.gz CPNDYGLTOCJKSB-CQSZACIVSA-N 2 0 290.411 1.509 10 30 CDEERP C=CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001267332708 897618105 /nfs/dbraw/zinc/61/81/05/897618105.db2.gz QIXXXBUEOBFLQB-CQSZACIVSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001267380379 897790546 /nfs/dbraw/zinc/79/05/46/897790546.db2.gz JVHZUNDKIXRYDT-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001481012043 898492758 /nfs/dbraw/zinc/49/27/58/898492758.db2.gz SKZOZBNTTXAMKV-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)CCc2nccn2C)C1 ZINC001267727845 899410898 /nfs/dbraw/zinc/41/08/98/899410898.db2.gz WPZBZWLWDMBRAI-ZDUSSCGKSA-N 2 0 276.384 1.119 10 30 CDEERP C#CC[NH2+]C[C@@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@@H]1C ZINC001267874418 899930206 /nfs/dbraw/zinc/93/02/06/899930206.db2.gz UEJVKEZDNBARHO-RDJZCZTQSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001267987830 900202434 /nfs/dbraw/zinc/20/24/34/900202434.db2.gz ZJOXCKJVHSURAW-OAHLLOKOSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001268007407 900265728 /nfs/dbraw/zinc/26/57/28/900265728.db2.gz CALFSCSWVOFNPU-OAHLLOKOSA-N 2 0 281.444 1.636 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001481502654 900946001 /nfs/dbraw/zinc/94/60/01/900946001.db2.gz BYGQBVMAUQMIBM-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001268213287 901581610 /nfs/dbraw/zinc/58/16/10/901581610.db2.gz ZLALHJSGMALPGG-HNNXBMFYSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001481876531 902252341 /nfs/dbraw/zinc/25/23/41/902252341.db2.gz VVSUGMZKXSAUFB-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268482856 902323699 /nfs/dbraw/zinc/32/36/99/902323699.db2.gz YUSFOWFXNMEIEL-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001268741376 903068747 /nfs/dbraw/zinc/06/87/47/903068747.db2.gz QUXRAGOVUFTMFI-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001268837813 903170338 /nfs/dbraw/zinc/17/03/38/903170338.db2.gz HKHWURXPDNPUBS-CQSZACIVSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001269083484 903405973 /nfs/dbraw/zinc/40/59/73/903405973.db2.gz DSOKQVQFQBERRF-HNNXBMFYSA-N 2 0 291.439 1.533 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001269454724 903824019 /nfs/dbraw/zinc/82/40/19/903824019.db2.gz QDHPOYBDWICDRX-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C ZINC001284642559 904133445 /nfs/dbraw/zinc/13/34/45/904133445.db2.gz GIFOKNQPFHNTGM-CYBMUJFWSA-N 2 0 267.417 1.082 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001271839979 906884665 /nfs/dbraw/zinc/88/46/65/906884665.db2.gz UXZUSWFTAHSGSN-RBSFLKMASA-N 2 0 279.428 1.080 10 30 CDEERP C=CCCC[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482893166 908471589 /nfs/dbraw/zinc/47/15/89/908471589.db2.gz YKBJBSVMHDDGIW-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483128508 909685128 /nfs/dbraw/zinc/68/51/28/909685128.db2.gz GRVUNCIWSOMEGI-CABCVRRESA-N 2 0 291.439 1.369 10 30 CDEERP C=C(Cl)CN1CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001484072332 915393965 /nfs/dbraw/zinc/39/39/65/915393965.db2.gz YCYDTMOAFVKKJO-CQSZACIVSA-N 2 0 287.835 1.660 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001484745811 916111948 /nfs/dbraw/zinc/11/19/48/916111948.db2.gz UMHZHIXRMONTLH-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001485080993 916490562 /nfs/dbraw/zinc/49/05/62/916490562.db2.gz ZCLUYDSHLCLYIG-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485230067 916684151 /nfs/dbraw/zinc/68/41/51/916684151.db2.gz PKOYGAYLXPJBGP-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001273514894 919894250 /nfs/dbraw/zinc/89/42/50/919894250.db2.gz NPSTXRLREMNBDM-INIZCTEOSA-N 2 0 293.455 1.663 10 30 CDEERP C=CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272865133 919926248 /nfs/dbraw/zinc/92/62/48/919926248.db2.gz JWCBRTLCFYKFCW-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001485882913 920542774 /nfs/dbraw/zinc/54/27/74/920542774.db2.gz XOKMTOPMWSZOQW-GFCCVEGCSA-N 2 0 253.390 1.093 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001485960704 920628531 /nfs/dbraw/zinc/62/85/31/920628531.db2.gz KNLKFGSROQSQPQ-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001486161503 920763388 /nfs/dbraw/zinc/76/33/88/920763388.db2.gz VJTJQQGUTFBPJP-WBVHZDCISA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001568303607 1169233665 /nfs/dbraw/zinc/23/36/65/1169233665.db2.gz BMXNYOGDHYBVCO-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001486248039 920837683 /nfs/dbraw/zinc/83/76/83/920837683.db2.gz RDXVMSWJFWQTAF-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001490983728 936837231 /nfs/dbraw/zinc/83/72/31/936837231.db2.gz PGAYAAYIXOIAKM-JKSUJKDBSA-N 2 0 291.439 1.273 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001491472346 936921505 /nfs/dbraw/zinc/92/15/05/936921505.db2.gz BRJQUINTLOCDCK-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[N@@H+](C)CCCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001490257229 927064384 /nfs/dbraw/zinc/06/43/84/927064384.db2.gz NAWJZDLIUTWCSY-ZDUSSCGKSA-N 2 0 276.384 1.050 10 30 CDEERP C#CCC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001490366791 927131195 /nfs/dbraw/zinc/13/11/95/927131195.db2.gz HQSXOAAPBWMXRP-HNNXBMFYSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001490422094 927170177 /nfs/dbraw/zinc/17/01/77/927170177.db2.gz QIKPZHRNMVAMOB-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001490722906 927298586 /nfs/dbraw/zinc/29/85/86/927298586.db2.gz LSRRMFDJPNELSJ-QGZVFWFLSA-N 2 0 299.418 1.479 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001490775324 927336698 /nfs/dbraw/zinc/33/66/98/927336698.db2.gz AWUDIYDAYSKHAG-LSDHHAIUSA-N 2 0 279.428 1.295 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001490774362 927337842 /nfs/dbraw/zinc/33/78/42/927337842.db2.gz AGIBHYJHPLJIPI-CVEARBPZSA-N 2 0 293.455 1.376 10 30 CDEERP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+]1CCCC[C@@H]1C ZINC000852859335 927897537 /nfs/dbraw/zinc/89/75/37/927897537.db2.gz SARHSNXAXIKYOK-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000852858830 927897744 /nfs/dbraw/zinc/89/77/44/927897744.db2.gz INCAGXJSHSEAQP-HUUCEWRRSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC1(O)CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000880479580 929686180 /nfs/dbraw/zinc/68/61/80/929686180.db2.gz XPZYXTCWHXQJTB-OAHLLOKOSA-N 2 0 264.413 1.711 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001274297879 931489054 /nfs/dbraw/zinc/48/90/54/931489054.db2.gz KQPSQDSBBXYHIN-LLYBFZRZSA-N 2 0 279.428 1.556 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001274633436 931526560 /nfs/dbraw/zinc/52/65/60/931526560.db2.gz JWTOOSDJSGPGTP-ZIAGYGMSSA-N 2 0 277.412 1.073 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001321340041 931604995 /nfs/dbraw/zinc/60/49/95/931604995.db2.gz WZHWUTFDWVRFJT-VBROQKIQSA-N 2 0 265.401 1.166 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001275721101 931978561 /nfs/dbraw/zinc/97/85/61/931978561.db2.gz QUAHVPQDQSHBNV-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001275816765 932060527 /nfs/dbraw/zinc/06/05/27/932060527.db2.gz MXQKIOFPXAMUDO-HZPDHXFCSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001276226296 932661687 /nfs/dbraw/zinc/66/16/87/932661687.db2.gz JHCGTDCXNZOXJQ-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001276432227 939717198 /nfs/dbraw/zinc/71/71/98/939717198.db2.gz KYCNAOIVCIJAKQ-GOEBONIOSA-N 2 0 295.471 1.975 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001277058919 941888554 /nfs/dbraw/zinc/88/85/54/941888554.db2.gz QHYBEIBBLNMGQQ-FPCVCCKLSA-N 2 0 291.439 1.674 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001281476762 942581990 /nfs/dbraw/zinc/58/19/90/942581990.db2.gz ZJYRRWIQTVNGTA-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001282478463 942720537 /nfs/dbraw/zinc/72/05/37/942720537.db2.gz RBIJTYIZXQNHRV-OLZOCXBDSA-N 2 0 255.406 1.339 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001277852181 943820302 /nfs/dbraw/zinc/82/03/02/943820302.db2.gz UJFXXUJCBKJTJB-LSDHHAIUSA-N 2 0 277.412 1.095 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001264726530 944170593 /nfs/dbraw/zinc/17/05/93/944170593.db2.gz YVOFAESVHFXIGO-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001265208027 944275879 /nfs/dbraw/zinc/27/58/79/944275879.db2.gz OSLWUASGRVISGE-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265230633 944287388 /nfs/dbraw/zinc/28/73/88/944287388.db2.gz JHDSTPFMRVFOEN-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001265446594 944390668 /nfs/dbraw/zinc/39/06/68/944390668.db2.gz KXZDBOPHCDBBKB-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001265689367 944471551 /nfs/dbraw/zinc/47/15/51/944471551.db2.gz BEAIJFJYMDNNDP-RDJZCZTQSA-N 2 0 291.439 1.629 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001265845879 944537003 /nfs/dbraw/zinc/53/70/03/944537003.db2.gz HDJNINVDWUEYLG-AWEZNQCLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001265845344 944538137 /nfs/dbraw/zinc/53/81/37/944538137.db2.gz KOCIIEZPAYZJFQ-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001265964046 944603296 /nfs/dbraw/zinc/60/32/96/944603296.db2.gz PTGVDYNYYMFFMX-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266020319 944635125 /nfs/dbraw/zinc/63/51/25/944635125.db2.gz GTQNLUGLDPACEE-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001279044005 948637375 /nfs/dbraw/zinc/63/73/75/948637375.db2.gz FEOIACMCTJDPKR-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001480024620 971542535 /nfs/dbraw/zinc/54/25/35/971542535.db2.gz LWRUOYZMZZNGHZ-JKSUJKDBSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001480022225 971543403 /nfs/dbraw/zinc/54/34/03/971543403.db2.gz WBLLQBCRJDFSGT-BMFZPTHFSA-N 2 0 293.455 1.777 10 30 CDEERP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001480089681 971571823 /nfs/dbraw/zinc/57/18/23/971571823.db2.gz NTQVJSXXMKQSNT-MRXNPFEDSA-N 2 0 293.455 1.520 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480386668 971697174 /nfs/dbraw/zinc/69/71/74/971697174.db2.gz LEFMRIGUWDWRGP-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001278684849 951686278 /nfs/dbraw/zinc/68/62/78/951686278.db2.gz MYCONKMHDBRYCE-AWEZNQCLSA-N 2 0 291.439 1.485 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001278684850 951687231 /nfs/dbraw/zinc/68/72/31/951687231.db2.gz MYCONKMHDBRYCE-CQSZACIVSA-N 2 0 291.439 1.485 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001480595545 971799982 /nfs/dbraw/zinc/79/99/82/971799982.db2.gz CBTWMHJBTMADBG-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001493151693 971961265 /nfs/dbraw/zinc/96/12/65/971961265.db2.gz PGTHCKFFAKOFJX-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001325579663 953971841 /nfs/dbraw/zinc/97/18/41/953971841.db2.gz BFQRXRXBWAXWPW-HOTGVXAUSA-N 2 0 295.471 1.979 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001493233225 971991864 /nfs/dbraw/zinc/99/18/64/971991864.db2.gz KFSYKSCNTHDUKQ-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001326541803 954426411 /nfs/dbraw/zinc/42/64/11/954426411.db2.gz ZOWDHNVEVQPMLS-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001327225939 954781905 /nfs/dbraw/zinc/78/19/05/954781905.db2.gz SXOQJZXXROFDEC-HNNXBMFYSA-N 2 0 281.444 1.376 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001491806294 955472965 /nfs/dbraw/zinc/47/29/65/955472965.db2.gz YGNXEFONAAHACT-QLFBSQMISA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001328859725 955517418 /nfs/dbraw/zinc/51/74/18/955517418.db2.gz XAZFKLCXNXKIAT-SSHXOBKSSA-N 2 0 293.455 1.777 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001329032529 955641059 /nfs/dbraw/zinc/64/10/59/955641059.db2.gz GLBSGHAEKOIJKB-KBPBESRZSA-N 2 0 279.428 1.367 10 30 CDEERP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001492164894 955661946 /nfs/dbraw/zinc/66/19/46/955661946.db2.gz ITTKHJWYQCPHAF-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc2nccn21 ZINC001329086081 955676943 /nfs/dbraw/zinc/67/69/43/955676943.db2.gz MVRWGCHJSNQEDO-QWHCGFSZSA-N 2 0 284.363 1.454 10 30 CDEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001493849783 972124834 /nfs/dbraw/zinc/12/48/34/972124834.db2.gz KFQNBSCCWRVICO-GOEBONIOSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480663666 956395992 /nfs/dbraw/zinc/39/59/92/956395992.db2.gz KYJLPJCXUYIJRV-JKSUJKDBSA-N 2 0 295.471 1.977 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001317080559 957255883 /nfs/dbraw/zinc/25/58/83/957255883.db2.gz ZZAVKVHSICTANJ-VGWMRTNUSA-N 2 0 289.423 1.263 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317087593 957260962 /nfs/dbraw/zinc/26/09/62/957260962.db2.gz NOFZSFWZXZATFF-HDJSIYSDSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317200594 957338245 /nfs/dbraw/zinc/33/82/45/957338245.db2.gz RWQUTDMWRAOSDA-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317763369 957658280 /nfs/dbraw/zinc/65/82/80/957658280.db2.gz NOTUYMPKPNRRIB-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH+]1CC=C(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001333433176 958332524 /nfs/dbraw/zinc/33/25/24/958332524.db2.gz KFRIHNSWVJMABK-UHFFFAOYSA-N 2 0 291.439 1.490 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001319186751 958421837 /nfs/dbraw/zinc/42/18/37/958421837.db2.gz XXXVUZMOTQLEAK-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001319550505 958624435 /nfs/dbraw/zinc/62/44/35/958624435.db2.gz GEKNJBDWEURILD-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001319593731 958642680 /nfs/dbraw/zinc/64/26/80/958642680.db2.gz QMKHXYMQPYFHDK-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001319688193 958687920 /nfs/dbraw/zinc/68/79/20/958687920.db2.gz AIGFSFUIERRXLU-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001319936453 958799721 /nfs/dbraw/zinc/79/97/21/958799721.db2.gz PCOJHPGWZYSIEM-JYJNAYRXSA-N 2 0 293.455 1.470 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001320550537 959238444 /nfs/dbraw/zinc/23/84/44/959238444.db2.gz YEXVOPUGPVKJIN-ZDUSSCGKSA-N 2 0 269.433 1.635 10 30 CDEERP C=CCCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001321188663 959644621 /nfs/dbraw/zinc/64/46/21/959644621.db2.gz JMZXGNXLCRDORL-PSKZRQQASA-N 2 0 265.401 1.309 10 30 CDEERP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001323704992 960927377 /nfs/dbraw/zinc/92/73/77/960927377.db2.gz MPUZZGXOJWYAAH-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001419568629 961824567 /nfs/dbraw/zinc/82/45/67/961824567.db2.gz OXUPORNRORAVNS-UONOGXRCSA-N 2 0 299.846 1.519 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC001341564881 963465177 /nfs/dbraw/zinc/46/51/77/963465177.db2.gz QFVAMRTXMQLUQN-VWYCJHECSA-N 2 0 293.333 1.266 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001342646277 963786195 /nfs/dbraw/zinc/78/61/95/963786195.db2.gz RLUUSSMWCFWBGN-AGIUHOORSA-N 2 0 253.390 1.113 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001343217184 963930492 /nfs/dbraw/zinc/93/04/92/963930492.db2.gz MYTXYKASIAFCDF-JONQDZQNSA-N 2 0 293.455 1.859 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC001346289769 965030564 /nfs/dbraw/zinc/03/05/64/965030564.db2.gz ZOOBGXHVCQRHEO-XJKSGUPXSA-N 2 0 292.427 1.160 10 30 CDEERP C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)CC[NH+](C)C ZINC001445435195 966197253 /nfs/dbraw/zinc/19/72/53/966197253.db2.gz OLADUIVPQBMFDP-CYBMUJFWSA-N 2 0 288.395 1.104 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC001446298478 966509320 /nfs/dbraw/zinc/50/93/20/966509320.db2.gz OJZCTUQHAZMJQQ-UHFFFAOYSA-N 2 0 265.401 1.191 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC001356455104 969402412 /nfs/dbraw/zinc/40/24/12/969402412.db2.gz ZJCCPWOMVKILEI-HIFRSBDPSA-N 2 0 265.401 1.191 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC001466679813 969984077 /nfs/dbraw/zinc/98/40/77/969984077.db2.gz SBFSTYUVLSOKDQ-ZIAGYGMSSA-N 2 0 297.468 1.142 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001480596900 970074793 /nfs/dbraw/zinc/07/47/93/970074793.db2.gz MUNBFAZYNMQLRO-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001495814967 972648793 /nfs/dbraw/zinc/64/87/93/972648793.db2.gz QCUZURZGRVVKOC-JKSUJKDBSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001496184364 972831034 /nfs/dbraw/zinc/83/10/34/972831034.db2.gz VDBYTSFOLVXVMO-AWEZNQCLSA-N 2 0 289.423 1.984 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001496249246 972856665 /nfs/dbraw/zinc/85/66/65/972856665.db2.gz OKDPKWDSYAOHKW-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001497501076 973370433 /nfs/dbraw/zinc/37/04/33/973370433.db2.gz MZUIBQDFEZJOAB-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001374096341 973775917 /nfs/dbraw/zinc/77/59/17/973775917.db2.gz GGYIKJOPDRUEKJ-NSHDSACASA-N 2 0 285.819 1.177 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001498808669 974068769 /nfs/dbraw/zinc/06/87/69/974068769.db2.gz XDXACQBWEZXAEH-JKSUJKDBSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001375212404 974292789 /nfs/dbraw/zinc/29/27/89/974292789.db2.gz DYFGFIBIGJBNPI-STQMWFEESA-N 2 0 285.819 1.318 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001501133117 974539322 /nfs/dbraw/zinc/53/93/22/974539322.db2.gz SIZVODHQVCCEOU-LSDHHAIUSA-N 2 0 293.455 1.588 10 30 CDEERP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001501403904 974578624 /nfs/dbraw/zinc/57/86/24/974578624.db2.gz MVGODSUKRUHKGX-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001502810160 974788138 /nfs/dbraw/zinc/78/81/38/974788138.db2.gz YAPPPFJPVIYWAJ-CYBMUJFWSA-N 2 0 299.846 1.661 10 30 CDEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)Cn2ccnc2)CC1 ZINC001502811199 974788792 /nfs/dbraw/zinc/78/87/92/974788792.db2.gz OWPSLEXFCBQMJG-UHFFFAOYSA-N 2 0 290.411 1.820 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001502972650 974808285 /nfs/dbraw/zinc/80/82/85/974808285.db2.gz ZMRSLMYMNSZXJZ-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001505462311 974886477 /nfs/dbraw/zinc/88/64/77/974886477.db2.gz OKYZHTJRFUHFBP-OAHLLOKOSA-N 2 0 277.412 1.028 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001507070485 975324797 /nfs/dbraw/zinc/32/47/97/975324797.db2.gz FWUZXQBOMRLVLZ-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001507161070 975358865 /nfs/dbraw/zinc/35/88/65/975358865.db2.gz IDVVXPKIAYRWDD-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001398455755 975995978 /nfs/dbraw/zinc/99/59/78/975995978.db2.gz LCJIATVTTQCKQI-QWHCGFSZSA-N 2 0 285.819 1.175 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001402491888 976313349 /nfs/dbraw/zinc/31/33/49/976313349.db2.gz INIZVBJLXRKLFB-MGPQQGTHSA-N 2 0 299.846 1.850 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001390718715 976453903 /nfs/dbraw/zinc/45/39/03/976453903.db2.gz YWSQBBSUMXITAA-OLZOCXBDSA-N 2 0 287.835 1.565 10 30 CDEERP C=CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001492963310 976666157 /nfs/dbraw/zinc/66/61/57/976666157.db2.gz YMACPCBDZOQJCW-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001407535354 976691011 /nfs/dbraw/zinc/69/10/11/976691011.db2.gz MBFBOBUBDXTFNV-OCCSQVGLSA-N 2 0 299.846 1.519 10 30 CDEERP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001675343043 1174105414 /nfs/dbraw/zinc/10/54/14/1174105414.db2.gz IOLOWDSIFULAAW-ZBFHGGJFSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001676079000 1174179987 /nfs/dbraw/zinc/17/99/87/1174179987.db2.gz FPDZKFVVDJBYTN-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001676893279 1174287804 /nfs/dbraw/zinc/28/78/04/1174287804.db2.gz IPRODDHWBYMQRU-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001570013750 1170057551 /nfs/dbraw/zinc/05/75/51/1170057551.db2.gz QSMCTBYRPSUZOP-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001570039897 1170063565 /nfs/dbraw/zinc/06/35/65/1170063565.db2.gz DFUMLHWDSPQXIC-SHTZXODSSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001570545736 1170185055 /nfs/dbraw/zinc/18/50/55/1170185055.db2.gz WZZTWSDYFANCRG-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001570564819 1170191239 /nfs/dbraw/zinc/19/12/39/1170191239.db2.gz KTVUFRHEHCVXFK-YMAMQOFZSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001570854388 1170302012 /nfs/dbraw/zinc/30/20/12/1170302012.db2.gz VYNXTLWGKGAJHV-DZGCQCFKSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH+]1CC=C(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001571699030 1170527048 /nfs/dbraw/zinc/52/70/48/1170527048.db2.gz ARPPYGQUNSTBQI-UHFFFAOYSA-N 2 0 279.428 1.653 10 30 CDEERP C=CC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCN(C)CC2)C1 ZINC000651690333 398151883 /nfs/dbraw/zinc/15/18/83/398151883.db2.gz APISXKGXCNGWJJ-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000594438732 342906156 /nfs/dbraw/zinc/90/61/56/342906156.db2.gz KUJGYVHNQBQMRN-HUUCEWRRSA-N 2 0 292.427 1.388 10 30 CDEERP CCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594448998 342909212 /nfs/dbraw/zinc/90/92/12/342909212.db2.gz AMPFIQXNBSCHBL-ZDUSSCGKSA-N 2 0 268.405 1.198 10 30 CDEERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000594520612 342917068 /nfs/dbraw/zinc/91/70/68/342917068.db2.gz JVDCZGNEPVCKDF-OKILXGFUSA-N 2 0 283.379 1.636 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CC#N ZINC000597051985 343442292 /nfs/dbraw/zinc/44/22/92/343442292.db2.gz HSCNXQWZOIYJMI-LSDHHAIUSA-N 2 0 294.443 1.411 10 30 CDEERP C[C@@H](CC#N)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000597218708 343483520 /nfs/dbraw/zinc/48/35/20/343483520.db2.gz JXCZHWVGVTZWRV-AWEZNQCLSA-N 2 0 282.432 1.268 10 30 CDEERP C[NH+](CC#CC[N@@H+](C)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000352222868 529823247 /nfs/dbraw/zinc/82/32/47/529823247.db2.gz SQHITWDXDICZFZ-IYBDPMFKSA-N 2 0 280.412 1.211 10 30 CDEERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598722179 343884227 /nfs/dbraw/zinc/88/42/27/343884227.db2.gz ALHZZDQRYRSANR-NRXISQOPSA-N 2 0 281.444 1.997 10 30 CDEERP CC1(C#N)CCC([NH2+]C[C@H]2CCCCN2CCO)CC1 ZINC000449396724 362691962 /nfs/dbraw/zinc/69/19/62/362691962.db2.gz MMEZAHODEOLPMW-HWOWSKLDSA-N 2 0 279.428 1.895 10 30 CDEERP CC#CC[C@H](CO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000641766873 365829400 /nfs/dbraw/zinc/82/94/00/365829400.db2.gz CSPANRFODRCHQM-CYBMUJFWSA-N 2 0 270.336 1.131 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)C[NH+](C)C1CCC1 ZINC001660169532 1172170398 /nfs/dbraw/zinc/17/03/98/1172170398.db2.gz AEQSLAZLRXPSGN-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[N@H+](C)CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001660364789 1172204068 /nfs/dbraw/zinc/20/40/68/1172204068.db2.gz DOQOROQWWFDKJT-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP N#C[C@@]1(N2CC[NH2+]CC2)CCCN(Cc2ccccc2)C1 ZINC000036904576 358618652 /nfs/dbraw/zinc/61/86/52/358618652.db2.gz AMYNHJLDTMFQGG-KRWDZBQOSA-N 2 0 284.407 1.450 10 30 CDEERP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528396932 367824562 /nfs/dbraw/zinc/82/45/62/367824562.db2.gz QDNOVWAOBQVKQL-ZIAGYGMSSA-N 2 0 265.401 1.315 10 30 CDEERP C[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](C)[NH3+] ZINC000423454801 374383211 /nfs/dbraw/zinc/38/32/11/374383211.db2.gz ZPHKMOTYZBAAMN-UONOGXRCSA-N 2 0 286.423 1.848 10 30 CDEERP C=CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001661890510 1172461561 /nfs/dbraw/zinc/46/15/61/1172461561.db2.gz HGIXGFYKNUXHBA-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001662844570 1172603414 /nfs/dbraw/zinc/60/34/14/1172603414.db2.gz HVMIZMDLSIRAOM-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001663288976 1172668529 /nfs/dbraw/zinc/66/85/29/1172668529.db2.gz YCAJPSLMABZTTJ-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001663461623 1172697971 /nfs/dbraw/zinc/69/79/71/1172697971.db2.gz NYRJGFGSKILFPH-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404831159 392441641 /nfs/dbraw/zinc/44/16/41/392441641.db2.gz IKKRPEPFBMZJTN-ZDUSSCGKSA-N 2 0 265.332 1.541 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001663537027 1172717473 /nfs/dbraw/zinc/71/74/73/1172717473.db2.gz JDKZOIXCLHGANG-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001663645156 1172736018 /nfs/dbraw/zinc/73/60/18/1172736018.db2.gz PZELHUPTTFAIEZ-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[C@]1(C(=O)NC2CC[NH+](CC(C)C)CC2)CCC[NH2+]1 ZINC000662672596 413290239 /nfs/dbraw/zinc/29/02/39/413290239.db2.gz CDQWYRQUJDEWHZ-QGZVFWFLSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](CC)C2)CCC[NH2+]1 ZINC000662681539 413303993 /nfs/dbraw/zinc/30/39/93/413303993.db2.gz HIXHWKGFTOKGCI-ZFWWWQNUSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H](C2CC2)[NH+](C)C)CCC[NH2+]1 ZINC000662688478 413314948 /nfs/dbraw/zinc/31/49/48/413314948.db2.gz OJZAHYYFOSPMAH-ZFWWWQNUSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)CCC[NH2+]1 ZINC000662747524 413423072 /nfs/dbraw/zinc/42/30/72/413423072.db2.gz WTONAGWDMZFTBJ-RDJZCZTQSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001665227387 1172965893 /nfs/dbraw/zinc/96/58/93/1172965893.db2.gz CURZBRVXVUFHRL-STQMWFEESA-N 2 0 265.401 1.093 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CCC[NH2+]1 ZINC000662759200 413447137 /nfs/dbraw/zinc/44/71/37/413447137.db2.gz BIDPRXQBTTYYPW-HLLBOEOZSA-N 2 0 291.439 1.675 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCC[NH2+]1 ZINC000662835633 413572709 /nfs/dbraw/zinc/57/27/09/413572709.db2.gz QPDQCJPXFXHTHP-BFYDXBDKSA-N 2 0 291.439 1.818 10 30 CDEERP C[NH+](C)C1CCN(Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683697 175091967 /nfs/dbraw/zinc/09/19/67/175091967.db2.gz GHXSMVPBTUTCAW-UHFFFAOYSA-N 2 0 277.437 1.584 10 30 CDEERP [NH3+]CC#Cc1csc(C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000043688835 175095668 /nfs/dbraw/zinc/09/56/68/175095668.db2.gz MOEKBXLZNYHLGF-CQSZACIVSA-N 2 0 278.421 1.795 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001666673534 1173169580 /nfs/dbraw/zinc/16/95/80/1173169580.db2.gz QASMPZCTZPADAP-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)CCC[NH2+]1 ZINC000662823539 424508039 /nfs/dbraw/zinc/50/80/39/424508039.db2.gz SXDWWAYABDJIAB-CZUORRHYSA-N 2 0 277.412 1.476 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCCC[NH+](C)C ZINC001667762449 1173322539 /nfs/dbraw/zinc/32/25/39/1173322539.db2.gz AWIUFOITMUWJRQ-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668833787 1173471983 /nfs/dbraw/zinc/47/19/83/1173471983.db2.gz KJMDYTBLXDVWDP-WPGRVJDUSA-N 2 0 293.455 1.943 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001669812302 1173613699 /nfs/dbraw/zinc/61/36/99/1173613699.db2.gz XSRCFAHLVVTABZ-HIFRSBDPSA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001671805908 1173713665 /nfs/dbraw/zinc/71/36/65/1173713665.db2.gz ZSUURFJRBMWGBG-INIZCTEOSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001672838883 1173804584 /nfs/dbraw/zinc/80/45/84/1173804584.db2.gz GOYQKWSFQFTJNZ-UONOGXRCSA-N 2 0 299.846 1.661 10 30 CDEERP CN(C)C(=[NH+]Cc1ccc(C[NH+](C)C)cc1)N(C)C ZINC000263276703 330051277 /nfs/dbraw/zinc/05/12/77/330051277.db2.gz YRFGWVIXPZMFCG-UHFFFAOYSA-N 2 0 262.401 1.727 10 30 CDEERP N#C[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000442721921 330780755 /nfs/dbraw/zinc/78/07/55/330780755.db2.gz WLJRQEVOBLRENX-KBPBESRZSA-N 2 0 251.374 1.381 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691501426 1159857567 /nfs/dbraw/zinc/85/75/67/1159857567.db2.gz QNFYLUBWRJKADF-KBUPBQIOSA-N 2 0 279.428 1.387 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001269083685 1160029349 /nfs/dbraw/zinc/02/93/49/1160029349.db2.gz JIJNMPKPXRWODM-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001271206502 1160312342 /nfs/dbraw/zinc/31/23/42/1160312342.db2.gz GKJBDIHDAIJSSV-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001691603237 1160715015 /nfs/dbraw/zinc/71/50/15/1160715015.db2.gz WURAOZCJBCXSNL-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713951369 1178883206 /nfs/dbraw/zinc/88/32/06/1178883206.db2.gz XHTICRDMOGRGFG-JOCQHMNTSA-N 2 0 265.401 1.284 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001732426043 1182958938 /nfs/dbraw/zinc/95/89/38/1182958938.db2.gz KMPKFQUENXIZLD-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP COC1CC[NH+](Cc2ccc(F)cc2C#CC[NH3+])CC1 ZINC000049609087 522705300 /nfs/dbraw/zinc/70/53/00/522705300.db2.gz CMRNAJULBCDXKM-UHFFFAOYSA-N 2 0 276.355 1.747 10 30 CDEERP COc1ccc(C#CC[NH3+])cc1C[N@H+](C)CC1CC1 ZINC000049609431 523513331 /nfs/dbraw/zinc/51/33/31/523513331.db2.gz ZUDCZIIICGXOIX-UHFFFAOYSA-N 2 0 258.365 1.847 10 30 CDEERP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCC[C@H]1C ZINC000049608284 523513835 /nfs/dbraw/zinc/51/38/35/523513835.db2.gz YEIWOFPYOYQBGM-CYBMUJFWSA-N 2 0 258.365 1.990 10 30 CDEERP C[NH+](C)C1CCN(Cc2ccc(F)cc2C#CC[NH3+])CC1 ZINC000049609199 524040278 /nfs/dbraw/zinc/04/02/78/524040278.db2.gz DKALXGNMXLUUSC-UHFFFAOYSA-N 2 0 289.398 1.662 10 30 CDEERP C=CCCN1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001688699361 1175011934 /nfs/dbraw/zinc/01/19/34/1175011934.db2.gz AFCFIASICMXADS-HZPDHXFCSA-N 2 0 291.439 1.724 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940843112 613746383 /nfs/dbraw/zinc/74/63/83/613746383.db2.gz XGVYHMRFFSENNV-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000923424572 618328952 /nfs/dbraw/zinc/32/89/52/618328952.db2.gz GIIUVYMWTVDIOC-VWYCJHECSA-N 2 0 266.307 1.383 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000877266311 618420144 /nfs/dbraw/zinc/42/01/44/618420144.db2.gz QKGVQUGBWSUDEZ-SDDRHHMPSA-N 2 0 271.792 1.057 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000900198808 622813343 /nfs/dbraw/zinc/81/33/43/622813343.db2.gz JUDHARIZVDOJFY-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC000907928331 627909093 /nfs/dbraw/zinc/90/90/93/627909093.db2.gz CAJZUBREARTSIB-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001627276577 1158447134 /nfs/dbraw/zinc/44/71/34/1158447134.db2.gz WEXFFEZECVTNHQ-OWCLPIDISA-N 2 0 293.455 1.968 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266766688 1158814047 /nfs/dbraw/zinc/81/40/47/1158814047.db2.gz IPZKEMAKGAZLSG-HOTGVXAUSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C ZINC001267143258 1159136422 /nfs/dbraw/zinc/13/64/22/1159136422.db2.gz MBHHAKDGJNMFOS-LLVKDONJSA-N 2 0 261.797 1.175 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001481530117 1159770049 /nfs/dbraw/zinc/77/00/49/1159770049.db2.gz OUJPQRXVOZXVLS-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001733046088 1160469707 /nfs/dbraw/zinc/46/97/07/1160469707.db2.gz VNUWIEWLZBXVFW-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[NH+](CC)CC ZINC000876724956 1165900734 /nfs/dbraw/zinc/90/07/34/1165900734.db2.gz KOEJQLVRXFIXPB-LBPRGKRZSA-N 2 0 275.824 1.695 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000876751702 1165909451 /nfs/dbraw/zinc/90/94/51/1165909451.db2.gz VTIBXVCMLBZNBS-MWLCHTKSSA-N 2 0 259.781 1.055 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000876947771 1165945561 /nfs/dbraw/zinc/94/55/61/1165945561.db2.gz BDMFRHNINQNYTF-ZMLRMANQSA-N 2 0 273.808 1.432 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC001626779921 1165954614 /nfs/dbraw/zinc/95/46/14/1165954614.db2.gz ZHDQBOKJYIGXIE-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001565994242 1168209976 /nfs/dbraw/zinc/20/99/76/1168209976.db2.gz CIRIZZXFAFQLMO-BMFZPTHFSA-N 2 0 293.455 1.729 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001566802340 1168427289 /nfs/dbraw/zinc/42/72/89/1168427289.db2.gz PROHZWHECHADII-JOCQHMNTSA-N 2 0 265.401 1.141 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001567019582 1168513062 /nfs/dbraw/zinc/51/30/62/1168513062.db2.gz JIPCTZLDUQLWQT-NSHDSACASA-N 2 0 279.409 1.151 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001567708922 1168930423 /nfs/dbraw/zinc/93/04/23/1168930423.db2.gz CWHXBTWTBWLMMW-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001568450943 1169294109 /nfs/dbraw/zinc/29/41/09/1169294109.db2.gz FTIOPVAJRGVMED-HZPDHXFCSA-N 2 0 291.439 1.082 10 30 CDEERP C=CCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]21 ZINC001568514732 1169341472 /nfs/dbraw/zinc/34/14/72/1169341472.db2.gz BEEHKTNNUMDCRZ-JKSUJKDBSA-N 2 0 293.455 1.826 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001569380192 1169830723 /nfs/dbraw/zinc/83/07/23/1169830723.db2.gz PSNODRAEULBAQI-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC1 ZINC001570108069 1170081861 /nfs/dbraw/zinc/08/18/61/1170081861.db2.gz JWMUBQPZECCLAY-AWEZNQCLSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001570644601 1170221146 /nfs/dbraw/zinc/22/11/46/1170221146.db2.gz PZVACAWCPFNELK-UONOGXRCSA-N 2 0 291.439 1.224 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)CCCn1ccnc1C ZINC001570742389 1170263676 /nfs/dbraw/zinc/26/36/76/1170263676.db2.gz OYPATLNKABEBQP-ZDUSSCGKSA-N 2 0 276.384 1.041 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001650417687 1171047184 /nfs/dbraw/zinc/04/71/84/1171047184.db2.gz NHXFSRCZCVTCAU-NSHDSACASA-N 2 0 273.808 1.304 10 30 CDEERP CC#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001662010920 1172476704 /nfs/dbraw/zinc/47/67/04/1172476704.db2.gz NSSAULDFXDLJPF-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001662639352 1172574107 /nfs/dbraw/zinc/57/41/07/1172574107.db2.gz AFUIOPNQNDQYJC-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001662844569 1172602316 /nfs/dbraw/zinc/60/23/16/1172602316.db2.gz HVMIZMDLSIRAOM-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+]CC/C=C/CC ZINC001663989470 1172797352 /nfs/dbraw/zinc/79/73/52/1172797352.db2.gz SXELDPQMUXOUBA-MOEXGYKKSA-N 2 0 291.439 1.488 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001667007449 1173221241 /nfs/dbraw/zinc/22/12/41/1173221241.db2.gz AZRFNPUSKZOBCP-GJZGRUSLSA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001673958794 1173902021 /nfs/dbraw/zinc/90/20/21/1173902021.db2.gz KQYJOSXRLIHASD-UHFFFAOYSA-N 2 0 290.411 1.889 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001674720995 1173996065 /nfs/dbraw/zinc/99/60/65/1173996065.db2.gz FDYDYCLVQHMSCF-OLZOCXBDSA-N 2 0 255.406 1.387 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001690296313 1175430525 /nfs/dbraw/zinc/43/05/25/1175430525.db2.gz NWLJIVUUCIDRAA-ZQDZILKHSA-N 2 0 281.444 1.918 10 30 CDEERP C#CCC[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001690459880 1175475154 /nfs/dbraw/zinc/47/51/54/1175475154.db2.gz UPGWORHPBSAZBU-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001690584149 1175512337 /nfs/dbraw/zinc/51/23/37/1175512337.db2.gz GOFSOWLOLHDYNW-KGLIPLIRSA-N 2 0 281.444 1.920 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001690785698 1175572601 /nfs/dbraw/zinc/57/26/01/1175572601.db2.gz XMNKGRHLOZDKDX-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001691838019 1175634538 /nfs/dbraw/zinc/63/45/38/1175634538.db2.gz VIIJCUJJWNHYPL-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001698711001 1175901584 /nfs/dbraw/zinc/90/15/84/1175901584.db2.gz ICJJAXJIHHCVAO-WKILWMFISA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001698825575 1175952270 /nfs/dbraw/zinc/95/22/70/1175952270.db2.gz SYPFJDMMICJPHE-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698951277 1175993671 /nfs/dbraw/zinc/99/36/71/1175993671.db2.gz YIMUHHFXYNPMHB-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001699028940 1176048685 /nfs/dbraw/zinc/04/86/85/1176048685.db2.gz NTRXCOMCDWVKLV-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699207418 1176141192 /nfs/dbraw/zinc/14/11/92/1176141192.db2.gz KONYQDHFCVOSOV-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001699592688 1176490843 /nfs/dbraw/zinc/49/08/43/1176490843.db2.gz MGPOZKJRYRTYJE-UKRRQHHQSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001699753609 1176607331 /nfs/dbraw/zinc/60/73/31/1176607331.db2.gz SHIQIGNUBRKPED-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001699753612 1176607955 /nfs/dbraw/zinc/60/79/55/1176607955.db2.gz SHIQIGNUBRKPED-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001699934120 1176686996 /nfs/dbraw/zinc/68/69/96/1176686996.db2.gz JZGNXLBCVZBYJJ-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001700184671 1176788048 /nfs/dbraw/zinc/78/80/48/1176788048.db2.gz NJGHJSFRVOQLQJ-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001700317825 1176846957 /nfs/dbraw/zinc/84/69/57/1176846957.db2.gz MLJIJHXFZUWIIM-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001700614835 1177037380 /nfs/dbraw/zinc/03/73/80/1177037380.db2.gz GNWNEMRTHVFJSX-ARFHVFGLSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001700843050 1177162382 /nfs/dbraw/zinc/16/23/82/1177162382.db2.gz BNYMXEFMNFRWGV-KGLIPLIRSA-N 2 0 277.412 1.073 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001707103417 1177952258 /nfs/dbraw/zinc/95/22/58/1177952258.db2.gz LKGGFDVVBIAQMT-XHSDSOJGSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001707117369 1177953957 /nfs/dbraw/zinc/95/39/57/1177953957.db2.gz VWCYZVZGQPFHJV-XHSDSOJGSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001713159076 1178403857 /nfs/dbraw/zinc/40/38/57/1178403857.db2.gz OEECZYNWKVDHTB-KKUMJFAQSA-N 2 0 277.412 1.119 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001713169258 1178410092 /nfs/dbraw/zinc/41/00/92/1178410092.db2.gz JXJVEITWLVDEBE-HAQNSBGRSA-N 2 0 262.357 1.155 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001714348670 1179099299 /nfs/dbraw/zinc/09/92/99/1179099299.db2.gz HIFJDFCTHVDHDX-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001714539108 1179195482 /nfs/dbraw/zinc/19/54/82/1179195482.db2.gz FRVABNBCMKQEOL-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001714659755 1179306428 /nfs/dbraw/zinc/30/64/28/1179306428.db2.gz MATUWIZXNTYASF-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001714929340 1179457482 /nfs/dbraw/zinc/45/74/82/1179457482.db2.gz WZDSVZIKJIPIQC-HNNXBMFYSA-N 2 0 279.428 1.082 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001714928031 1179457693 /nfs/dbraw/zinc/45/76/93/1179457693.db2.gz PAKGFEBKPBIXIU-INIZCTEOSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715243397 1179594191 /nfs/dbraw/zinc/59/41/91/1179594191.db2.gz DJZJXFOHFHQIPH-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001715414104 1179661675 /nfs/dbraw/zinc/66/16/75/1179661675.db2.gz CKIFXEWLRHPUAV-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001715476868 1179677857 /nfs/dbraw/zinc/67/78/57/1179677857.db2.gz PRQDQLFYMYEXPN-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001716699048 1180376949 /nfs/dbraw/zinc/37/69/49/1180376949.db2.gz CPDZEHLOPSBKFW-KGLIPLIRSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001716784124 1180413993 /nfs/dbraw/zinc/41/39/93/1180413993.db2.gz KPSCNLUVRBYWQF-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001717010396 1180502279 /nfs/dbraw/zinc/50/22/79/1180502279.db2.gz BGAKXLOIHQPPNY-ZNMIVQPWSA-N 2 0 297.418 1.243 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001717153248 1180551482 /nfs/dbraw/zinc/55/14/82/1180551482.db2.gz OGGXTEDMHBKFAM-HUUCEWRRSA-N 2 0 289.423 1.265 10 30 CDEERP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001717607419 1180755818 /nfs/dbraw/zinc/75/58/18/1180755818.db2.gz ZJXBQSWBFZORRN-QKDCVEJESA-N 2 0 279.428 1.198 10 30 CDEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717731011 1180815442 /nfs/dbraw/zinc/81/54/42/1180815442.db2.gz HSURISHPFAZSLS-BMFZPTHFSA-N 2 0 293.455 1.729 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001722904014 1181490659 /nfs/dbraw/zinc/49/06/59/1181490659.db2.gz CUVCFTBYKUXPHK-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001724655834 1181717522 /nfs/dbraw/zinc/71/75/22/1181717522.db2.gz MTXZWNMETXOYFV-HUUCEWRRSA-N 2 0 277.412 1.027 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001725184341 1181911032 /nfs/dbraw/zinc/91/10/32/1181911032.db2.gz YEAAZJLQMHJSTF-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001725383553 1181982576 /nfs/dbraw/zinc/98/25/76/1181982576.db2.gz BLGTZTWZYGAZET-GJZGRUSLSA-N 2 0 279.428 1.367 10 30 CDEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001725407847 1181990901 /nfs/dbraw/zinc/99/09/01/1181990901.db2.gz WFQHENWUBYJSPE-CQSZACIVSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001725664033 1182090872 /nfs/dbraw/zinc/09/08/72/1182090872.db2.gz UGWJMCYQNMAOGJ-CABCVRRESA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[N@H+](CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001731323450 1182318543 /nfs/dbraw/zinc/31/85/43/1182318543.db2.gz WNGUUSMWKZGTTO-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001731694148 1182521230 /nfs/dbraw/zinc/52/12/30/1182521230.db2.gz IEOMXZKNNOGDST-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC001732024872 1182729011 /nfs/dbraw/zinc/72/90/11/1182729011.db2.gz YGRBNGCATDYIAR-INIZCTEOSA-N 2 0 299.418 1.409 10 30 CDEERP C=CCC[C@@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC001732151105 1182808068 /nfs/dbraw/zinc/80/80/68/1182808068.db2.gz YDWIQWJUAOKWDV-PMPSAXMXSA-N 2 0 293.455 1.966 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732198761 1182851313 /nfs/dbraw/zinc/85/13/13/1182851313.db2.gz LTJKJGDXTWOIHV-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001732443955 1182969516 /nfs/dbraw/zinc/96/95/16/1182969516.db2.gz VJHOBSMXSMFNBN-ZNMIVQPWSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001732529741 1182997027 /nfs/dbraw/zinc/99/70/27/1182997027.db2.gz FIHALPQUTGSBAN-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001732605454 1183043986 /nfs/dbraw/zinc/04/39/86/1183043986.db2.gz ITCXPFWLIRIWRR-UONOGXRCSA-N 2 0 265.401 1.047 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001732631732 1183056443 /nfs/dbraw/zinc/05/64/43/1183056443.db2.gz WGOFEMBNXSMLQP-JKSUJKDBSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001733131586 1183301958 /nfs/dbraw/zinc/30/19/58/1183301958.db2.gz VRQMEQQKOPHHMH-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC=C)C2CC2)CC1 ZINC001733190356 1183325339 /nfs/dbraw/zinc/32/53/39/1183325339.db2.gz KOONZHJRIJVPNK-INIZCTEOSA-N 2 0 289.423 1.002 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001733335354 1183400407 /nfs/dbraw/zinc/40/04/07/1183400407.db2.gz IFTAEHDSCCGTES-GJZGRUSLSA-N 2 0 291.439 1.627 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001733669498 1183493289 /nfs/dbraw/zinc/49/32/89/1183493289.db2.gz BTEXTDKQWBRCSE-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)Cn1ccnc1C(C)C ZINC001733778836 1183530711 /nfs/dbraw/zinc/53/07/11/1183530711.db2.gz NUMDZZIUQOPHDW-UHFFFAOYSA-N 2 0 290.411 1.420 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001733876052 1183557816 /nfs/dbraw/zinc/55/78/16/1183557816.db2.gz SOHSLABGCOPJQE-OAHLLOKOSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001733933087 1183574076 /nfs/dbraw/zinc/57/40/76/1183574076.db2.gz SMAOIBRJWFNEDU-HNNXBMFYSA-N 2 0 291.439 1.724 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)CCn1ccnc1 ZINC001734047665 1183634717 /nfs/dbraw/zinc/63/47/17/1183634717.db2.gz KEJLOLPDCDOMHJ-CQSZACIVSA-N 2 0 278.400 1.676 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]C(C)C)CC1 ZINC001734260886 1183706662 /nfs/dbraw/zinc/70/66/62/1183706662.db2.gz CPDPPMNOGWCPSD-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001734288315 1183714397 /nfs/dbraw/zinc/71/43/97/1183714397.db2.gz LYDYOPATWUSUQF-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001734429360 1183776312 /nfs/dbraw/zinc/77/63/12/1183776312.db2.gz DLWDOFYUGFTMEP-UONOGXRCSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C[N@H+](C)C(C)C ZINC001444026074 965715305 /nfs/dbraw/zinc/71/53/05/965715305.db2.gz CMDAURANSFJLFK-GFCCVEGCSA-N 2 0 275.824 1.564 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000876766460 1165912037 /nfs/dbraw/zinc/91/20/37/1165912037.db2.gz KPXIHKYSZZTNHS-NWDGAFQWSA-N 2 0 289.851 1.939 10 30 CDEERP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H](O)CC#N)C1 ZINC000809574250 813834917 /nfs/dbraw/zinc/83/49/17/813834917.db2.gz IGIDFTOOJNFKSP-ARFHVFGLSA-N 2 0 279.428 1.847 10 30 CDEERP Cc1cccc(NC(=[NH2+])NC[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000303971357 812082815 /nfs/dbraw/zinc/08/28/15/812082815.db2.gz DLLZRWHRSIELGM-CQSZACIVSA-N 2 0 289.427 1.358 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000876540078 814033106 /nfs/dbraw/zinc/03/31/06/814033106.db2.gz FFCYGYMJQRQSSD-GFCCVEGCSA-N 2 0 273.808 1.304 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000876939991 814211350 /nfs/dbraw/zinc/21/13/50/814211350.db2.gz OEVHKEHTULBDBG-GFCCVEGCSA-N 2 0 273.808 1.399 10 30 CDEERP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NCCc1cccs1 ZINC000303911327 814271539 /nfs/dbraw/zinc/27/15/39/814271539.db2.gz ZNLDBWUIMRTARF-GFCCVEGCSA-N 2 0 282.457 1.925 10 30 CDEERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=[NH2+])NC2CC2)C1 ZINC000066244606 814555348 /nfs/dbraw/zinc/55/53/48/814555348.db2.gz ZKSACQMQPKSFCX-TXEJJXNPSA-N 2 0 266.433 1.810 10 30 CDEERP C#CC[C@@H]1CCC[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000829815010 814703317 /nfs/dbraw/zinc/70/33/17/814703317.db2.gz DNZJHMINWGLNMV-UKRRQHHQSA-N 2 0 250.386 1.177 10 30 CDEERP C=CCC[C@H](CO)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000926546327 816827599 /nfs/dbraw/zinc/82/75/99/816827599.db2.gz QSYBCIMRXYZFAE-QLFBSQMISA-N 2 0 252.402 1.920 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000928649323 817182788 /nfs/dbraw/zinc/18/27/88/817182788.db2.gz ZIIHWMWLWXRNLN-INIZCTEOSA-N 2 0 289.423 1.217 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000876777290 817405280 /nfs/dbraw/zinc/40/52/80/817405280.db2.gz PKVRTUPQUUQQQE-QWHCGFSZSA-N 2 0 287.835 1.647 10 30 CDEERP C=C[C@H](CC)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000827892801 817417473 /nfs/dbraw/zinc/41/74/73/817417473.db2.gz SYFPEKXBJXOGFU-BZUAXINKSA-N 2 0 295.471 1.787 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC001640019656 1166984664 /nfs/dbraw/zinc/98/46/64/1166984664.db2.gz DPMWQJSVUHUQLF-HNNXBMFYSA-N 2 0 279.428 1.580 10 30 CDEERP CCC(C)(C)[NH+]1CCN(C(=O)NCC#CC[NH+](C)C)CC1 ZINC001565497198 1168150270 /nfs/dbraw/zinc/15/02/70/1168150270.db2.gz DSIXAYZQNNTACC-UHFFFAOYSA-N 2 0 294.443 1.067 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001566556694 1168334351 /nfs/dbraw/zinc/33/43/51/1168334351.db2.gz NWNYAWIHZFNMIL-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+]1CCC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001566878381 1168453080 /nfs/dbraw/zinc/45/30/80/1168453080.db2.gz ARGXTCBJGDZQQM-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001567284541 1168661043 /nfs/dbraw/zinc/66/10/43/1168661043.db2.gz LYQJCYIDHSAPQZ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001567289513 1168663161 /nfs/dbraw/zinc/66/31/61/1168663161.db2.gz YEBYIPCSNAGZAK-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001567307888 1168671095 /nfs/dbraw/zinc/67/10/95/1168671095.db2.gz MGLCJRXMBKSZDT-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001567383549 1168723435 /nfs/dbraw/zinc/72/34/35/1168723435.db2.gz UNAJRSZNGVZQEA-OAHLLOKOSA-N 2 0 291.439 1.629 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001266325450 894397567 /nfs/dbraw/zinc/39/75/67/894397567.db2.gz NNAPQXYDXVCTGP-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001266468468 894996623 /nfs/dbraw/zinc/99/66/23/894996623.db2.gz QUVSGSABDQHJHP-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266614610 895577376 /nfs/dbraw/zinc/57/73/76/895577376.db2.gz KZIJZWCJXNANHA-KKUMJFAQSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001266718170 895904383 /nfs/dbraw/zinc/90/43/83/895904383.db2.gz DYGXZZOIYOGGJA-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001266976562 896476286 /nfs/dbraw/zinc/47/62/86/896476286.db2.gz XQRDJXLXWVBWDA-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001267020398 896578424 /nfs/dbraw/zinc/57/84/24/896578424.db2.gz FQFRYSIXTJXZET-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267064209 896667705 /nfs/dbraw/zinc/66/77/05/896667705.db2.gz DVQCXRKPBRMDPH-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001283618495 898176470 /nfs/dbraw/zinc/17/64/70/898176470.db2.gz UODXZLWDFQRMOT-KGLIPLIRSA-N 2 0 267.417 1.032 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267749557 899569005 /nfs/dbraw/zinc/56/90/05/899569005.db2.gz OUMZBMTUTNHVRH-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001267820696 899810230 /nfs/dbraw/zinc/81/02/30/899810230.db2.gz HHIAVIBGABBGON-HOTGVXAUSA-N 2 0 293.455 1.757 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)CCC[NH+]1CCCCC1 ZINC001267829577 899829101 /nfs/dbraw/zinc/82/91/01/899829101.db2.gz WVYBQAKGODRHBC-INIZCTEOSA-N 2 0 293.455 1.760 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001567699344 1168927377 /nfs/dbraw/zinc/92/73/77/1168927377.db2.gz JPSLRJDARYSJSQ-BZUAXINKSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001481495760 900926688 /nfs/dbraw/zinc/92/66/88/900926688.db2.gz DZCMTZBCYBNKEB-OAHLLOKOSA-N 2 0 291.439 1.132 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001268175103 901528244 /nfs/dbraw/zinc/52/82/44/901528244.db2.gz DITRYHQGJQWQKI-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001279288586 901561304 /nfs/dbraw/zinc/56/13/04/901561304.db2.gz VZKRBHVXLHKYDQ-QQFBHYJXSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001268540010 902531670 /nfs/dbraw/zinc/53/16/70/902531670.db2.gz BDLVZINTKGZQOR-GEXIGZQTSA-N 2 0 265.401 1.307 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001268759318 903093922 /nfs/dbraw/zinc/09/39/22/903093922.db2.gz KTHHBGJDZPYMPT-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001269471929 903840654 /nfs/dbraw/zinc/84/06/54/903840654.db2.gz QJMBYESEYMAUEH-AWEZNQCLSA-N 2 0 281.444 1.472 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001269737698 904075218 /nfs/dbraw/zinc/07/52/18/904075218.db2.gz LKRVOWJRCFKCKR-OWCLPIDISA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001284640603 904131643 /nfs/dbraw/zinc/13/16/43/904131643.db2.gz GONUVGREPROWOY-GJZGRUSLSA-N 2 0 293.455 1.472 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001269962002 904235754 /nfs/dbraw/zinc/23/57/54/904235754.db2.gz WALAZMKHKBMHMB-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001270194440 904435360 /nfs/dbraw/zinc/43/53/60/904435360.db2.gz SLTCFYZONSJMKY-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001483772656 914865530 /nfs/dbraw/zinc/86/55/30/914865530.db2.gz BTPCVFGQBDZVPP-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482395527 905296325 /nfs/dbraw/zinc/29/63/25/905296325.db2.gz AECBQMIVHRXARI-OAHLLOKOSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001271551420 906511358 /nfs/dbraw/zinc/51/13/58/906511358.db2.gz QPAWPFRUKZRGSQ-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001482529615 906843319 /nfs/dbraw/zinc/84/33/19/906843319.db2.gz KIUUFISIBGGVFX-JKSUJKDBSA-N 2 0 293.455 1.613 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001482831830 908411104 /nfs/dbraw/zinc/41/11/04/908411104.db2.gz APQAKKJVNDBCMM-QLFBSQMISA-N 2 0 279.428 1.224 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482947533 908531575 /nfs/dbraw/zinc/53/15/75/908531575.db2.gz LJVCQEQWDZKNTB-CYBMUJFWSA-N 2 0 289.851 1.763 10 30 CDEERP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]21 ZINC001272223023 909222967 /nfs/dbraw/zinc/22/29/67/909222967.db2.gz CCBFNGLCUHPKFP-CVEARBPZSA-N 2 0 291.439 1.273 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001483138032 909782422 /nfs/dbraw/zinc/78/24/22/909782422.db2.gz UYUKFMHQBYIYDU-GFCCVEGCSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC(=C)C)CC1 ZINC001483296177 910816594 /nfs/dbraw/zinc/81/65/94/910816594.db2.gz ABMOYFWQUYABIW-AWEZNQCLSA-N 2 0 277.412 1.002 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001483383733 911029626 /nfs/dbraw/zinc/02/96/26/911029626.db2.gz JGUBBPQXQTVSQX-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001568075684 1169133086 /nfs/dbraw/zinc/13/30/86/1169133086.db2.gz GRPYFZFBPCGNHE-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001484380777 915706116 /nfs/dbraw/zinc/70/61/16/915706116.db2.gz LEAPAAMRHIJUMQ-LSDHHAIUSA-N 2 0 281.444 1.588 10 30 CDEERP CCO[C@@H](CNCc1ccc(C#N)cc1)C[NH+](C)C ZINC000922757212 921791259 /nfs/dbraw/zinc/79/12/59/921791259.db2.gz RWJXSJWYGCKJOW-HNNXBMFYSA-N 2 0 261.369 1.615 10 30 CDEERP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001484466049 915792555 /nfs/dbraw/zinc/79/25/55/915792555.db2.gz RRSNLJMXOGKPMU-CABCVRRESA-N 2 0 277.412 1.027 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001484513770 915836954 /nfs/dbraw/zinc/83/69/54/915836954.db2.gz UHIPJRDIXYAYTQ-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCC1 ZINC001484657200 916005275 /nfs/dbraw/zinc/00/52/75/916005275.db2.gz CETMKCOFHAFPBC-UHFFFAOYSA-N 2 0 267.417 1.533 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCC1 ZINC001484663106 916011415 /nfs/dbraw/zinc/01/14/15/916011415.db2.gz HRRPUGLWUFVXLC-ZIAGYGMSSA-N 2 0 277.412 1.121 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1 ZINC001484695734 916058755 /nfs/dbraw/zinc/05/87/55/916058755.db2.gz HSTJLHOXNRPNQZ-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001484909972 916263092 /nfs/dbraw/zinc/26/30/92/916263092.db2.gz QZMVPYXHLHHELD-KGLIPLIRSA-N 2 0 267.417 1.339 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001484941839 916297644 /nfs/dbraw/zinc/29/76/44/916297644.db2.gz LCKCEWBOYBJFOW-UONOGXRCSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001568207562 1169178257 /nfs/dbraw/zinc/17/82/57/1169178257.db2.gz CFPGRJNLBCLDNF-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001485531485 917070558 /nfs/dbraw/zinc/07/05/58/917070558.db2.gz UFPTYGCNTQIKEB-OAHLLOKOSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485815921 917665324 /nfs/dbraw/zinc/66/53/24/917665324.db2.gz NUFAAFBXMOJCPU-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001485919323 920574819 /nfs/dbraw/zinc/57/48/19/920574819.db2.gz GCBCXGGUMLSTHT-CABCVRRESA-N 2 0 281.444 1.567 10 30 CDEERP C#CCC[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001486161499 920763749 /nfs/dbraw/zinc/76/37/49/920763749.db2.gz VJTJQQGUTFBPJP-NVXWUHKLSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001568367650 1169261703 /nfs/dbraw/zinc/26/17/03/1169261703.db2.gz IDRRZYCAMNULOQ-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001491362051 936898522 /nfs/dbraw/zinc/89/85/22/936898522.db2.gz VLVXYXGQGIHHGU-UHFFFAOYSA-N 2 0 253.390 1.141 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001491508024 936926657 /nfs/dbraw/zinc/92/66/57/936926657.db2.gz ZTFUSGSULPAXEF-AWEZNQCLSA-N 2 0 293.455 1.757 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001488880276 926748941 /nfs/dbraw/zinc/74/89/41/926748941.db2.gz QWWKEGPZBIQYRV-SHTZXODSSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]2C1 ZINC001489205566 926826498 /nfs/dbraw/zinc/82/64/98/926826498.db2.gz GOTHXITZVICJJH-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]2C1 ZINC001489207260 926826829 /nfs/dbraw/zinc/82/68/29/926826829.db2.gz SDLSYQGVSJSFFF-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001489329506 926875847 /nfs/dbraw/zinc/87/58/47/926875847.db2.gz AOSWQCBQKHBBLG-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP CCCC[N@H+](C)C[C@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852883166 927906417 /nfs/dbraw/zinc/90/64/17/927906417.db2.gz CGGMRPXNUBLFSE-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC=C(C)C ZINC001320755371 931546015 /nfs/dbraw/zinc/54/60/15/931546015.db2.gz HRQFADWUANVXLV-INIZCTEOSA-N 2 0 291.439 1.488 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH2+]CC)CC1 ZINC001275751012 931998779 /nfs/dbraw/zinc/99/87/79/931998779.db2.gz OVRXPRSEPJWGED-UHFFFAOYSA-N 2 0 293.455 1.426 10 30 CDEERP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C13CCC3)C2 ZINC000925728638 932933620 /nfs/dbraw/zinc/93/36/20/932933620.db2.gz MIMFWWDTJVJPBP-PMPSAXMXSA-N 2 0 267.376 1.885 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001278268088 945226276 /nfs/dbraw/zinc/22/62/76/945226276.db2.gz QWJQFRVCONPQPA-AWEZNQCLSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001276681705 940680761 /nfs/dbraw/zinc/68/07/61/940680761.db2.gz VMNXZIGZTIVWJF-MRXNPFEDSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568782076 1169473189 /nfs/dbraw/zinc/47/31/89/1169473189.db2.gz ZUXVMKMTNPAGAQ-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001280186685 942423111 /nfs/dbraw/zinc/42/31/11/942423111.db2.gz RXDIJANGBIJKKH-JKSUJKDBSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001282477728 942718371 /nfs/dbraw/zinc/71/83/71/942718371.db2.gz ITXUCOGXQBVXRJ-AWEZNQCLSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001283296476 942873672 /nfs/dbraw/zinc/87/36/72/942873672.db2.gz JOHCOGAMMBWDAD-OAHLLOKOSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001283558347 942933976 /nfs/dbraw/zinc/93/39/76/942933976.db2.gz YCMNHLZCNUPEMY-OAHLLOKOSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001284003915 943043365 /nfs/dbraw/zinc/04/33/65/943043365.db2.gz MVKBQQKZGIJQND-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001284070972 943068671 /nfs/dbraw/zinc/06/86/71/943068671.db2.gz VTKASSJWSVPCOR-GOEBONIOSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001277662816 943262957 /nfs/dbraw/zinc/26/29/57/943262957.db2.gz OPHXGTBUQSKQIM-HOTGVXAUSA-N 2 0 295.471 1.975 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001277777252 943510041 /nfs/dbraw/zinc/51/00/41/943510041.db2.gz WBCLWMAPRLTIMK-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001264739045 944172672 /nfs/dbraw/zinc/17/26/72/944172672.db2.gz OOZGLTHEVHZFJF-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001265430924 944385074 /nfs/dbraw/zinc/38/50/74/944385074.db2.gz NPFHOVQYRZIFAE-SOUVJXGZSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001265994875 944621837 /nfs/dbraw/zinc/62/18/37/944621837.db2.gz PEWMZQBIBSJAHF-JKSUJKDBSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001266075481 944666039 /nfs/dbraw/zinc/66/60/39/944666039.db2.gz NWPGKAXINIYBDE-HZPDHXFCSA-N 2 0 293.455 1.759 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001266222096 944768037 /nfs/dbraw/zinc/76/80/37/944768037.db2.gz NPURXNCHXRFBCN-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001479321830 971298609 /nfs/dbraw/zinc/29/86/09/971298609.db2.gz WCSOQRHOZWAUDQ-OWCLPIDISA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001278467650 948464686 /nfs/dbraw/zinc/46/46/86/948464686.db2.gz SUTAJRTYBSQJFC-HOCLYGCPSA-N 2 0 279.428 1.626 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001479971040 971520303 /nfs/dbraw/zinc/52/03/03/971520303.db2.gz ZSGIOHNXZDZSNI-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001480062425 971561027 /nfs/dbraw/zinc/56/10/27/971561027.db2.gz BFUNZCLCYNNJBT-OAHLLOKOSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001480221502 971634165 /nfs/dbraw/zinc/63/41/65/971634165.db2.gz XSKXRZMKFYOIQQ-OKILXGFUSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001480711384 971847645 /nfs/dbraw/zinc/84/76/45/971847645.db2.gz ZGNXKNBLZXGXPN-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001569151895 1169693137 /nfs/dbraw/zinc/69/31/37/1169693137.db2.gz QHFPEECETRJLQB-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001325755018 954061876 /nfs/dbraw/zinc/06/18/76/954061876.db2.gz XPBDKNXZJLSEJK-OWCLPIDISA-N 2 0 293.455 1.683 10 30 CDEERP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001325920223 954141585 /nfs/dbraw/zinc/14/15/85/954141585.db2.gz XQCRTGYBUFVOEB-JKSUJKDBSA-N 2 0 291.439 1.415 10 30 CDEERP C=CCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001492383652 955846620 /nfs/dbraw/zinc/84/66/20/955846620.db2.gz GRMBAEKWAZVAKI-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001329837270 956135135 /nfs/dbraw/zinc/13/51/35/956135135.db2.gz FNHSBVLTMLGBSO-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001493998116 972157396 /nfs/dbraw/zinc/15/73/96/972157396.db2.gz UFLUCZQHRUBJOO-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001340165499 956703760 /nfs/dbraw/zinc/70/37/60/956703760.db2.gz VJGXNXJNWUIZKY-DZGCQCFKSA-N 2 0 265.401 1.272 10 30 CDEERP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001316771677 957007342 /nfs/dbraw/zinc/00/73/42/957007342.db2.gz LRSJSSOEUFZTQS-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001316902728 957107381 /nfs/dbraw/zinc/10/73/81/957107381.db2.gz CTPPSCPSJHXBMG-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001317183776 957329386 /nfs/dbraw/zinc/32/93/86/957329386.db2.gz IZIYVPLTPUUUOL-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001317195242 957335811 /nfs/dbraw/zinc/33/58/11/957335811.db2.gz YWSNQEYOZOBDCU-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001332300615 957510463 /nfs/dbraw/zinc/51/04/63/957510463.db2.gz GJGXDBNOANOBJA-LSDHHAIUSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317641880 957617630 /nfs/dbraw/zinc/61/76/30/957617630.db2.gz BZBLBGNHFITJJO-UHFFFAOYSA-N 2 0 289.423 1.986 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001317668444 957630934 /nfs/dbraw/zinc/63/09/34/957630934.db2.gz AZDUVNXXSUBEHC-UHFFFAOYSA-N 2 0 253.390 1.096 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001332741536 957704117 /nfs/dbraw/zinc/70/41/17/957704117.db2.gz ZGNHSRRBZFIEKS-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001332859004 957891308 /nfs/dbraw/zinc/89/13/08/957891308.db2.gz VSKXOHFLSDQIAJ-LSDHHAIUSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C ZINC001332881005 957914538 /nfs/dbraw/zinc/91/45/38/957914538.db2.gz DOKRMDACVFWDIK-ZDUSSCGKSA-N 2 0 267.417 1.082 10 30 CDEERP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@H]21 ZINC001320110889 958944081 /nfs/dbraw/zinc/94/40/81/958944081.db2.gz IZHDBBBOQXMOMO-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320423876 959162654 /nfs/dbraw/zinc/16/26/54/959162654.db2.gz XBOSOZGYVXUVML-RBSFLKMASA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001320822086 959411918 /nfs/dbraw/zinc/41/19/18/959411918.db2.gz YOLMKUBZHGSWEQ-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001321056994 959563971 /nfs/dbraw/zinc/56/39/71/959563971.db2.gz LQVQEYSVIVSBQP-LFAOLKIESA-N 2 0 277.412 1.145 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419622817 961883609 /nfs/dbraw/zinc/88/36/09/961883609.db2.gz DZJDNEPPAIPGQN-ZIAGYGMSSA-N 2 0 299.846 1.661 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001439239026 963688206 /nfs/dbraw/zinc/68/82/06/963688206.db2.gz JDWGWUUJPKAWAS-RWMBFGLXSA-N 2 0 287.835 1.564 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001569378644 1169828405 /nfs/dbraw/zinc/82/84/05/1169828405.db2.gz WSQOWGGRPLFRQO-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001357457202 969592306 /nfs/dbraw/zinc/59/23/06/969592306.db2.gz GIHYKEZPMNJWAQ-FRRDWIJNSA-N 2 0 251.374 1.023 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001496597972 972984864 /nfs/dbraw/zinc/98/48/64/972984864.db2.gz IOIXLISPUSLQLU-OAHLLOKOSA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001496603481 972984928 /nfs/dbraw/zinc/98/49/28/972984928.db2.gz SGORHQJWTSABSQ-KBPBESRZSA-N 2 0 267.417 1.245 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001569700598 1169970022 /nfs/dbraw/zinc/97/00/22/1169970022.db2.gz GPFUQSMQCHQODR-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001498849197 974076555 /nfs/dbraw/zinc/07/65/55/974076555.db2.gz VPEOBGQGODRCAI-MRXNPFEDSA-N 2 0 291.439 1.226 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001500347192 974425794 /nfs/dbraw/zinc/42/57/94/974425794.db2.gz BGOPETRGKZHOTA-BFYDXBDKSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)CC1 ZINC001501189861 974546335 /nfs/dbraw/zinc/54/63/35/974546335.db2.gz FDXFTLNNZFQVIU-WKILWMFISA-N 2 0 291.439 1.228 10 30 CDEERP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001505400312 974859801 /nfs/dbraw/zinc/85/98/01/974859801.db2.gz KPKAQWRCDSHINS-MRXNPFEDSA-N 2 0 291.439 1.132 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001505819989 974994682 /nfs/dbraw/zinc/99/46/82/974994682.db2.gz GBBJJSUYDNFZLV-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001506045663 975100257 /nfs/dbraw/zinc/10/02/57/975100257.db2.gz BGHHXLLNPFBKNE-HOCLYGCPSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@H+]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001506748984 975216154 /nfs/dbraw/zinc/21/61/54/975216154.db2.gz CDZDEOGQLALJHG-STQMWFEESA-N 2 0 267.417 1.339 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001507904171 975563637 /nfs/dbraw/zinc/56/36/37/975563637.db2.gz SBEPFUVKQVWOPR-QWHCGFSZSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001400798681 977195291 /nfs/dbraw/zinc/19/52/91/977195291.db2.gz GUBIFWRANKGVLH-KBPBESRZSA-N 2 0 299.846 1.565 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001674396555 1173937842 /nfs/dbraw/zinc/93/78/42/1173937842.db2.gz YMPMXBXINQTECI-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001570252145 1170122223 /nfs/dbraw/zinc/12/22/23/1170122223.db2.gz FLVNPZRETQLXDM-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001571547813 1170472535 /nfs/dbraw/zinc/47/25/35/1170472535.db2.gz HFYFYDUTAHYCLK-KGLIPLIRSA-N 2 0 277.412 1.143 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)CCC ZINC001656106056 1171770011 /nfs/dbraw/zinc/77/00/11/1171770011.db2.gz QVRPEQNYGFEGAF-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001656867867 1171888780 /nfs/dbraw/zinc/88/87/80/1171888780.db2.gz YAMHXVXTVUGQHK-HNNXBMFYSA-N 2 0 297.443 1.064 10 30 CDEERP C=CC[C@H]1CC[C@H]([NH2+]CC(=O)N2CCN(C)CC2)C1 ZINC000651690331 398151569 /nfs/dbraw/zinc/15/15/69/398151569.db2.gz APISXKGXCNGWJJ-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438042 342905910 /nfs/dbraw/zinc/90/59/10/342905910.db2.gz MIUAZXVGXQONOM-LSDHHAIUSA-N 2 0 294.443 1.778 10 30 CDEERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[C@H]21 ZINC000594443124 342908096 /nfs/dbraw/zinc/90/80/96/342908096.db2.gz LNJVSNAHANEZBM-QLFBSQMISA-N 2 0 292.427 1.340 10 30 CDEERP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600716789 342244333 /nfs/dbraw/zinc/24/43/33/342244333.db2.gz MJJSMGHPZMODKC-XHSDSOJGSA-N 2 0 293.455 1.999 10 30 CDEERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600722669 342244922 /nfs/dbraw/zinc/24/49/22/342244922.db2.gz KKMVKSSUZQUUDN-OAHLLOKOSA-N 2 0 279.428 1.753 10 30 CDEERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594424407 342903968 /nfs/dbraw/zinc/90/39/68/342903968.db2.gz DDPVDPJRVXFLAX-SWLSCSKDSA-N 2 0 288.395 1.734 10 30 CDEERP C[C@H](CC#N)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000597218709 343483427 /nfs/dbraw/zinc/48/34/27/343483427.db2.gz JXCZHWVGVTZWRV-CQSZACIVSA-N 2 0 282.432 1.268 10 30 CDEERP N#CC1(c2ccc(C[NH2+]CCN3CC[C@H](O)C3)cc2)CC1 ZINC000599019688 343940360 /nfs/dbraw/zinc/94/03/60/343940360.db2.gz UDLSWUJAIZLIJF-INIZCTEOSA-N 2 0 285.391 1.398 10 30 CDEERP C=CC[C@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000629551348 362985787 /nfs/dbraw/zinc/98/57/87/362985787.db2.gz UBIKGXMHFUFPJT-ULQDDVLXSA-N 2 0 274.408 1.815 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001660476876 1172218694 /nfs/dbraw/zinc/21/86/94/1172218694.db2.gz ZOVBFXLSPAEQOW-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000155486818 361562929 /nfs/dbraw/zinc/56/29/29/361562929.db2.gz DJPPEXMUUGQWGW-AWEZNQCLSA-N 2 0 252.402 1.424 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001662292379 1172522344 /nfs/dbraw/zinc/52/23/44/1172522344.db2.gz DYXLCEOOBBYHJM-AWEZNQCLSA-N 2 0 289.423 1.685 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC([C@@H](C)[NH3+])CC2)CCC[NH2+]1 ZINC000662409341 412978081 /nfs/dbraw/zinc/97/80/81/412978081.db2.gz IFKSBTHMVSITKP-DOMZBBRYSA-N 2 0 265.401 1.271 10 30 CDEERP C=CC[C@@]1(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000662684171 413305794 /nfs/dbraw/zinc/30/57/94/413305794.db2.gz BCFXYVUTWOQGBK-HOCLYGCPSA-N 2 0 279.428 1.485 10 30 CDEERP COCC[N@H+](Cc1ccccc1C#CC[NH3+])[C@@H](C)COC ZINC000042609999 174823034 /nfs/dbraw/zinc/82/30/34/174823034.db2.gz DZWSBLISWMOHCH-HNNXBMFYSA-N 2 0 290.407 1.480 10 30 CDEERP COCCC[N@H+](CCOC)Cc1cc(C#CC[NH3+])cs1 ZINC000043689063 175095524 /nfs/dbraw/zinc/09/55/24/175095524.db2.gz RGNGOWDKZNGEIV-UHFFFAOYSA-N 2 0 296.436 1.543 10 30 CDEERP C[NH+](C)CC1CC[NH+](CC[C@@](C)(C#N)NC2CC2)CC1 ZINC000045182216 175325365 /nfs/dbraw/zinc/32/53/65/175325365.db2.gz CZWVKUCFVUHDAB-INIZCTEOSA-N 2 0 278.444 1.684 10 30 CDEERP C[NH+](C)CC1CC[NH+](CCC[C@](C)(N)C#N)CC1 ZINC000045315755 175358366 /nfs/dbraw/zinc/35/83/66/175358366.db2.gz IOLCLWZTZWTDAX-AWEZNQCLSA-N 2 0 252.406 1.281 10 30 CDEERP C[N@@H+](Cc1ccc(C#CCCO)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071190491 176066994 /nfs/dbraw/zinc/06/69/94/176066994.db2.gz RCCXSELLZRUBHM-SFHVURJKSA-N 2 0 286.419 1.804 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CCC=C)CC1 ZINC001665888511 1173080297 /nfs/dbraw/zinc/08/02/97/1173080297.db2.gz TYFRYYLDXXHAEO-INIZCTEOSA-N 2 0 291.439 1.392 10 30 CDEERP C=CC[C@]1(C(=O)NCc2ccc(C[NH3+])cc2)CCC[NH2+]1 ZINC000662821508 424508452 /nfs/dbraw/zinc/50/84/52/424508452.db2.gz GLHRCJDEAZLLTP-MRXNPFEDSA-N 2 0 273.380 1.460 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668088833 1173367744 /nfs/dbraw/zinc/36/77/44/1173367744.db2.gz ZZNYQXQDICDVII-HOCLYGCPSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001669877110 1173622167 /nfs/dbraw/zinc/62/21/67/1173622167.db2.gz CAJPQIQAIHMHJR-UONOGXRCSA-N 2 0 269.433 1.585 10 30 CDEERP C#CCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000378524881 329054026 /nfs/dbraw/zinc/05/40/26/329054026.db2.gz CSQMFCLYTSBTNM-XYPWUTKMSA-N 2 0 261.413 1.253 10 30 CDEERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262472914 330015909 /nfs/dbraw/zinc/01/59/09/330015909.db2.gz PHVQVHHDEOOEOK-GJZGRUSLSA-N 2 0 296.459 1.390 10 30 CDEERP [NH2+]=C(NC1CCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000263024704 330039210 /nfs/dbraw/zinc/03/92/10/330039210.db2.gz AKSCMQMZZLDHPI-UHFFFAOYSA-N 2 0 250.390 1.460 10 30 CDEERP CC#CC[N@@H+](C)CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001267215183 1159181223 /nfs/dbraw/zinc/18/12/23/1159181223.db2.gz IPIHGCHGOMDCBX-AWEZNQCLSA-N 2 0 267.417 1.178 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001505456529 1160375086 /nfs/dbraw/zinc/37/50/86/1160375086.db2.gz XDCJJNAHPWSQAX-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261724836 482920966 /nfs/dbraw/zinc/92/09/66/482920966.db2.gz KLADOOTYQNMSKV-TZMCWYRMSA-N 2 0 265.401 1.128 10 30 CDEERP CCC[NH+]1CCN(Cc2ccc(F)cc2C#CC[NH3+])CC1 ZINC000049608705 519859063 /nfs/dbraw/zinc/85/90/63/519859063.db2.gz FIEGHUSYFOGWKT-UHFFFAOYSA-N 2 0 289.398 1.664 10 30 CDEERP CCCN[C@H](C#N)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000062436815 520059092 /nfs/dbraw/zinc/05/90/92/520059092.db2.gz WFNATLZFALEGFU-HNNXBMFYSA-N 2 0 266.433 1.542 10 30 CDEERP C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc(C#CC[NH3+])c1 ZINC000061655673 521834754 /nfs/dbraw/zinc/83/47/54/521834754.db2.gz ZREPALURGTVSOA-INIZCTEOSA-N 2 0 285.391 1.163 10 30 CDEERP C[N@H+](Cc1ccccc1C#CC[NH3+])[C@H]1CCSC1 ZINC000049608996 523360265 /nfs/dbraw/zinc/36/02/65/523360265.db2.gz IBWAEJAZTVJTPZ-HNNXBMFYSA-N 2 0 260.406 1.934 10 30 CDEERP C[C@H]1CC[N@H+](CCOc2ccc(C#CC[NH3+])cc2)C1 ZINC000049609454 524288604 /nfs/dbraw/zinc/28/86/04/524288604.db2.gz HWPKLHLCOGYFHC-AWEZNQCLSA-N 2 0 258.365 1.717 10 30 CDEERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCC#CC[NH+](C)C ZINC001684868900 1174663244 /nfs/dbraw/zinc/66/32/44/1174663244.db2.gz GPPIZGLNHLRLAC-HNNXBMFYSA-N 2 0 294.443 1.115 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001689012413 1175085052 /nfs/dbraw/zinc/08/50/52/1175085052.db2.gz IEBQRKPMQYRCKO-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001689801810 1175262989 /nfs/dbraw/zinc/26/29/89/1175262989.db2.gz CEQRPEMQBYRARJ-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001689912333 1175302528 /nfs/dbraw/zinc/30/25/28/1175302528.db2.gz UYXAYKYTZMWCST-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939399623 613351270 /nfs/dbraw/zinc/35/12/70/613351270.db2.gz ZRMCQBXCXBQLCI-CVEARBPZSA-N 2 0 293.455 1.731 10 30 CDEERP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCN1CCC([NH3+])CC1 ZINC000925813846 617760948 /nfs/dbraw/zinc/76/09/48/617760948.db2.gz CKUIODWRSDYZBK-GOSISDBHSA-N 2 0 298.434 1.948 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000900589038 623264095 /nfs/dbraw/zinc/26/40/95/623264095.db2.gz JBTYUOQQEWHXLM-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900607349 623287259 /nfs/dbraw/zinc/28/72/59/623287259.db2.gz BHVDCYSKMNALHZ-KGLIPLIRSA-N 2 0 290.411 1.107 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000900946826 623658107 /nfs/dbraw/zinc/65/81/07/623658107.db2.gz UPQRNLKCOCNXMQ-CQSZACIVSA-N 2 0 285.457 1.048 10 30 CDEERP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(C#N)ccn1 ZINC000902969655 625679428 /nfs/dbraw/zinc/67/94/28/625679428.db2.gz FUYUPZDZMFPGJM-LBPRGKRZSA-N 2 0 262.357 1.182 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000907758221 627819203 /nfs/dbraw/zinc/81/92/03/627819203.db2.gz ZMTPVGAQEOIGCJ-OAHLLOKOSA-N 2 0 297.443 1.111 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000907746457 627827949 /nfs/dbraw/zinc/82/79/49/627827949.db2.gz NCRWKPSRFIHBPA-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000908535120 628253638 /nfs/dbraw/zinc/25/36/38/628253638.db2.gz ACBPRLVVWBZPJK-MRXNPFEDSA-N 2 0 279.428 1.439 10 30 CDEERP CC(C)[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000912509374 630049681 /nfs/dbraw/zinc/04/96/81/630049681.db2.gz FASKFBZBCFQSQK-LBPRGKRZSA-N 2 0 254.422 1.823 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000912598917 630084077 /nfs/dbraw/zinc/08/40/77/630084077.db2.gz HKVIKGMOYJLORL-ZIAGYGMSSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000913815903 630794711 /nfs/dbraw/zinc/79/47/11/630794711.db2.gz UIESULRFFYKNDU-KBPBESRZSA-N 2 0 265.401 1.189 10 30 CDEERP C[C@@H](C[NH2+]Cc1csc(C#N)c1)N1CC[NH+](C)CC1 ZINC000921689076 633180392 /nfs/dbraw/zinc/18/03/92/633180392.db2.gz CARBYTKXOIVLPB-LBPRGKRZSA-N 2 0 278.425 1.345 10 30 CDEERP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001699724316 1158521248 /nfs/dbraw/zinc/52/12/48/1158521248.db2.gz IJBKTCMJDAHTHF-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001691128678 1158924252 /nfs/dbraw/zinc/92/42/52/1158924252.db2.gz QWWKEGPZBIQYRV-GASCZTMLSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001670469709 1158613200 /nfs/dbraw/zinc/61/32/00/1158613200.db2.gz KVWIMVHESIQFPV-CABCVRRESA-N 2 0 279.428 1.530 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001271326448 1160322369 /nfs/dbraw/zinc/32/23/69/1160322369.db2.gz OWRAMGATBYQDRG-CVEARBPZSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001566714259 1168033366 /nfs/dbraw/zinc/03/33/66/1168033366.db2.gz JGNDZOQRKWVAED-GJZGRUSLSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001566021831 1168215593 /nfs/dbraw/zinc/21/55/93/1168215593.db2.gz RPLPQVQZGCWOEK-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001567107509 1168563824 /nfs/dbraw/zinc/56/38/24/1168563824.db2.gz VYXOEYUVCOGXFQ-HOCLYGCPSA-N 2 0 277.412 1.239 10 30 CDEERP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]21 ZINC001568514729 1169343093 /nfs/dbraw/zinc/34/30/93/1169343093.db2.gz BEEHKTNNUMDCRZ-CVEARBPZSA-N 2 0 293.455 1.826 10 30 CDEERP C#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001569125419 1169674453 /nfs/dbraw/zinc/67/44/53/1169674453.db2.gz UYTDVEVOWOYZTF-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001570801529 1170282279 /nfs/dbraw/zinc/28/22/79/1170282279.db2.gz YLBJXTUYXLFUJB-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001660699603 1172259936 /nfs/dbraw/zinc/25/99/36/1172259936.db2.gz IZWJNGFZXWTMNE-UHFFFAOYSA-N 2 0 291.439 1.772 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001666914533 1173208021 /nfs/dbraw/zinc/20/80/21/1173208021.db2.gz VKXBKEZMGXSPOV-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001668105582 1173369478 /nfs/dbraw/zinc/36/94/78/1173369478.db2.gz FIDIYIBRQQGHHN-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001690339601 1175444241 /nfs/dbraw/zinc/44/42/41/1175444241.db2.gz NGRGVLHNNJHRLT-MJBXVCDLSA-N 2 0 285.407 1.479 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690367785 1175451421 /nfs/dbraw/zinc/45/14/21/1175451421.db2.gz BQPDHZPYGXKFJG-GASCZTMLSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001692129653 1175681272 /nfs/dbraw/zinc/68/12/72/1175681272.db2.gz ZKRLXHWAOSCVCF-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001698588467 1175858382 /nfs/dbraw/zinc/85/83/82/1175858382.db2.gz PTYDHVYYGLRGPI-KGLIPLIRSA-N 2 0 267.417 1.435 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699141190 1176110795 /nfs/dbraw/zinc/11/07/95/1176110795.db2.gz SFDYBLNTFXXAOZ-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001699184114 1176130814 /nfs/dbraw/zinc/13/08/14/1176130814.db2.gz CXNXGPDJJSMEGA-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001699450202 1176414245 /nfs/dbraw/zinc/41/42/45/1176414245.db2.gz IWSFMPLKHIJOBU-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001699518977 1176456121 /nfs/dbraw/zinc/45/61/21/1176456121.db2.gz MKFLCRLXTLRQGC-UHFFFAOYSA-N 2 0 265.401 1.239 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001699590614 1176489799 /nfs/dbraw/zinc/48/97/99/1176489799.db2.gz TYDRXUIPXHUFSW-UKRRQHHQSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001699641895 1176541354 /nfs/dbraw/zinc/54/13/54/1176541354.db2.gz JGDIXZDMJBIHJX-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001699724537 1176589709 /nfs/dbraw/zinc/58/97/09/1176589709.db2.gz MQFWZFLNWFZKGH-KBPBESRZSA-N 2 0 279.428 1.435 10 30 CDEERP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001699879704 1176664744 /nfs/dbraw/zinc/66/47/44/1176664744.db2.gz WIVJXEKPKGUPHY-KRWDZBQOSA-N 2 0 291.439 1.324 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CCC1 ZINC001700131861 1176764083 /nfs/dbraw/zinc/76/40/83/1176764083.db2.gz IPGQIZWEXALTAJ-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001700272679 1176826761 /nfs/dbraw/zinc/82/67/61/1176826761.db2.gz QMTCBJRLUHHLKJ-CABCVRRESA-N 2 0 293.455 1.424 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001700321032 1176848576 /nfs/dbraw/zinc/84/85/76/1176848576.db2.gz VRBTWWXNKROTFP-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC2CC2)CC1 ZINC001700430083 1176925255 /nfs/dbraw/zinc/92/52/55/1176925255.db2.gz KHQAFOWUNJVQCH-KGLIPLIRSA-N 2 0 291.439 1.224 10 30 CDEERP C#CCC[NH2+][C@H](CCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001700714979 1177088753 /nfs/dbraw/zinc/08/87/53/1177088753.db2.gz VZYSLDIFJVPTCV-OAHLLOKOSA-N 2 0 291.439 1.226 10 30 CDEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001700720927 1177093065 /nfs/dbraw/zinc/09/30/65/1177093065.db2.gz FBKVRRGYTAMKKD-FVQBIDKESA-N 2 0 291.439 1.177 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001712972243 1178278998 /nfs/dbraw/zinc/27/89/98/1178278998.db2.gz QRIJPAOQJQUSTF-UHFFFAOYSA-N 2 0 283.460 1.979 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001713311135 1178488879 /nfs/dbraw/zinc/48/88/79/1178488879.db2.gz JMULZVRRWVRXGV-MELADBBJSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713962060 1178894106 /nfs/dbraw/zinc/89/41/06/1178894106.db2.gz FTVGPOMCQQJUCP-WKILWMFISA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001714039516 1178942229 /nfs/dbraw/zinc/94/22/29/1178942229.db2.gz FLIYTVXDPBASOI-MRXNPFEDSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001714408622 1179126812 /nfs/dbraw/zinc/12/68/12/1179126812.db2.gz VIQUVWOLCKHBNY-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH+]1CC2(C1)CCN(C(=O)CC[N@@H+](C)CCC)CC2 ZINC001714523859 1179181285 /nfs/dbraw/zinc/18/12/85/1179181285.db2.gz RUALRGIZSAFNAJ-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001714539192 1179195433 /nfs/dbraw/zinc/19/54/33/1179195433.db2.gz GIRGESOZTNMZDM-OAHLLOKOSA-N 2 0 277.412 1.076 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001714657659 1179304060 /nfs/dbraw/zinc/30/40/60/1179304060.db2.gz VDFXNSFMMSGJDE-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001714873667 1179431480 /nfs/dbraw/zinc/43/14/80/1179431480.db2.gz GETJERNQGUZKNO-JYJNAYRXSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001715141189 1179563203 /nfs/dbraw/zinc/56/32/03/1179563203.db2.gz FOFBIIOZVZRYHQ-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001715335880 1179631336 /nfs/dbraw/zinc/63/13/36/1179631336.db2.gz CROMWUDTRRCNRQ-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001715335882 1179631721 /nfs/dbraw/zinc/63/17/21/1179631721.db2.gz CROMWUDTRRCNRQ-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715368849 1179646100 /nfs/dbraw/zinc/64/61/00/1179646100.db2.gz MJXOYOHGDUEJSY-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001715406983 1179659481 /nfs/dbraw/zinc/65/94/81/1179659481.db2.gz ZURBQLKEICXXLP-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001715701072 1179768831 /nfs/dbraw/zinc/76/88/31/1179768831.db2.gz PQMFAIFJXOCUBF-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001715708774 1179771062 /nfs/dbraw/zinc/77/10/62/1179771062.db2.gz PXCFYZPRRDYKGD-HNNXBMFYSA-N 2 0 279.428 1.370 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001715820588 1179847971 /nfs/dbraw/zinc/84/79/71/1179847971.db2.gz YTSYRIUMRRFQHN-IDTUSYRASA-N 2 0 277.412 1.145 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001715871932 1179890301 /nfs/dbraw/zinc/89/03/01/1179890301.db2.gz KUACGMYASQFPLX-AWEZNQCLSA-N 2 0 290.411 1.412 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001716186971 1180089310 /nfs/dbraw/zinc/08/93/10/1180089310.db2.gz ZOWGUBZQRYFZOG-CQSZACIVSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001716368430 1180170073 /nfs/dbraw/zinc/17/00/73/1180170073.db2.gz RZAQTBARQCAQQH-JBZXTQMFSA-N 2 0 277.412 1.002 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001716465681 1180225587 /nfs/dbraw/zinc/22/55/87/1180225587.db2.gz HEIHFNQRVBCMGJ-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001716572155 1180289547 /nfs/dbraw/zinc/28/95/47/1180289547.db2.gz CPKNBYFHFWIITA-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001717394162 1180645994 /nfs/dbraw/zinc/64/59/94/1180645994.db2.gz ADOLNMPBZCHQNM-UHFFFAOYSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)CC1CC[NH+](C)CC1 ZINC001717532438 1180725146 /nfs/dbraw/zinc/72/51/46/1180725146.db2.gz GMYPBSTWTARGMH-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001717615688 1180759268 /nfs/dbraw/zinc/75/92/68/1180759268.db2.gz MRQQFRYNIWVOMX-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP CC#CC[N@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001717952300 1180944031 /nfs/dbraw/zinc/94/40/31/1180944031.db2.gz GTTNCXUYZRJAII-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001724213343 1181654789 /nfs/dbraw/zinc/65/47/89/1181654789.db2.gz FRIPHTUQQDCLBB-DOTOQJQBSA-N 2 0 291.439 1.342 10 30 CDEERP C#CC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001725176851 1181907284 /nfs/dbraw/zinc/90/72/84/1181907284.db2.gz APGZZHRGDHVIKK-ZDUSSCGKSA-N 2 0 267.417 1.034 10 30 CDEERP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001725289858 1181953657 /nfs/dbraw/zinc/95/36/57/1181953657.db2.gz MPIJBHGTXUGPDK-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001725458422 1182007920 /nfs/dbraw/zinc/00/79/20/1182007920.db2.gz YAAUJJOBIIFXBT-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001725563892 1182050952 /nfs/dbraw/zinc/05/09/52/1182050952.db2.gz FUHHIOZIYXJGTO-DZGCQCFKSA-N 2 0 279.428 1.483 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001725593787 1182065414 /nfs/dbraw/zinc/06/54/14/1182065414.db2.gz OHMJQNYXWYVWGT-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001731385916 1182348857 /nfs/dbraw/zinc/34/88/57/1182348857.db2.gz OYOCMLRMWMYRPO-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001731486535 1182414473 /nfs/dbraw/zinc/41/44/73/1182414473.db2.gz RZMXGFJPTHFIIN-ZNMIVQPWSA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001731694197 1182520295 /nfs/dbraw/zinc/52/02/95/1182520295.db2.gz WUVOIMFGUIMVGU-ZIAGYGMSSA-N 2 0 279.428 1.674 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001731698477 1182521806 /nfs/dbraw/zinc/52/18/06/1182521806.db2.gz IJPCDZRTQBOKRP-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001731835421 1182615275 /nfs/dbraw/zinc/61/52/75/1182615275.db2.gz VKPCRQRJMMAZPQ-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001731835259 1182615634 /nfs/dbraw/zinc/61/56/34/1182615634.db2.gz TZGPTQODAVJSEJ-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001732088116 1182758951 /nfs/dbraw/zinc/75/89/51/1182758951.db2.gz RCZAZKFOEGWDDC-UHFFFAOYSA-N 2 0 279.428 1.132 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732455027 1182974922 /nfs/dbraw/zinc/97/49/22/1182974922.db2.gz RIWLGRYNWJKASM-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732465013 1182979112 /nfs/dbraw/zinc/97/91/12/1182979112.db2.gz UMMKHVGVUPUNIB-HNNXBMFYSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001732626346 1183054060 /nfs/dbraw/zinc/05/40/60/1183054060.db2.gz QZXGETSADWKUKD-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732694883 1183089191 /nfs/dbraw/zinc/08/91/91/1183089191.db2.gz OCIOTMCHNJWQFI-SOUVJXGZSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)C[NH+]1CCCC1 ZINC001732810215 1183133231 /nfs/dbraw/zinc/13/32/31/1183133231.db2.gz KDJOGDDBMNNGBS-UHFFFAOYSA-N 2 0 273.808 1.273 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001733021656 1183241433 /nfs/dbraw/zinc/24/14/33/1183241433.db2.gz JRDWHSSBFWQTQM-ZFWWWQNUSA-N 2 0 265.401 1.143 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001733108716 1183294233 /nfs/dbraw/zinc/29/42/33/1183294233.db2.gz ULRBONNAQUCJLU-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001733183410 1183321163 /nfs/dbraw/zinc/32/11/63/1183321163.db2.gz OSYCWTBKCCMUFH-HNNXBMFYSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001733410666 1183423366 /nfs/dbraw/zinc/42/33/66/1183423366.db2.gz JDLLJFOYLGARLD-GDBMZVCRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CC)C2)CC1 ZINC001733445397 1183435024 /nfs/dbraw/zinc/43/50/24/1183435024.db2.gz MFMGLTGJEOQAFG-QGZVFWFLSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001733722152 1183508698 /nfs/dbraw/zinc/50/86/98/1183508698.db2.gz XXKATVQYEDRQSB-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001733900479 1183563574 /nfs/dbraw/zinc/56/35/74/1183563574.db2.gz OWCWSPGOMHWLTA-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001733938582 1183575541 /nfs/dbraw/zinc/57/55/41/1183575541.db2.gz IVDXJMGNKHSYLA-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001733980515 1183600099 /nfs/dbraw/zinc/60/00/99/1183600099.db2.gz VXWDUIMDBOYIKS-NEPJUHHUSA-N 2 0 286.379 1.925 10 30 CDEERP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001734162306 1183679598 /nfs/dbraw/zinc/67/95/98/1183679598.db2.gz NISKYCZMRHLQDZ-YHUYYLMFSA-N 2 0 291.439 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001734307598 1183722627 /nfs/dbraw/zinc/72/26/27/1183722627.db2.gz CGKNKKYFSZKXNO-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001734425767 1183775121 /nfs/dbraw/zinc/77/51/21/1183775121.db2.gz NTMPNRNMYXQPEX-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)CC[NH+](C)CC)C1 ZINC001691866706 1164289409 /nfs/dbraw/zinc/28/94/09/1164289409.db2.gz FCKACYILBCAOEV-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP COC[C@H](C)NC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000303897658 818398563 /nfs/dbraw/zinc/39/85/63/818398563.db2.gz QTHCFHFXRAIMQF-LBPRGKRZSA-N 2 0 270.421 1.190 10 30 CDEERP N#CCCC[C@H]([NH3+])C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000818551914 819327026 /nfs/dbraw/zinc/32/70/26/819327026.db2.gz UDMQULPAZVLFIP-AWEZNQCLSA-N 2 0 286.379 1.446 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000876933007 820295238 /nfs/dbraw/zinc/29/52/38/820295238.db2.gz BTNYEXOFOQWHPC-NWDGAFQWSA-N 2 0 285.819 1.447 10 30 CDEERP C[NH+]=C(NCC(F)F)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000262012722 821684280 /nfs/dbraw/zinc/68/42/80/821684280.db2.gz XBJNTMNQXZRILF-VHSXEESVSA-N 2 0 262.348 1.145 10 30 CDEERP C[NH+]=C(NCC1CCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000262017216 821824135 /nfs/dbraw/zinc/82/41/35/821824135.db2.gz XZNBEWMJRBORGM-GXTWGEPZSA-N 2 0 266.433 1.680 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H](C)C2CC[NH2+]CC2)CCC[NH2+]1 ZINC000877253795 821888406 /nfs/dbraw/zinc/88/84/06/821888406.db2.gz IMDIYZZZKAXSQY-SWLSCSKDSA-N 2 0 265.401 1.189 10 30 CDEERP C=CCC[C@H](O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000923409859 822416358 /nfs/dbraw/zinc/41/63/58/822416358.db2.gz JWIYSEOKVABBDO-JKSUJKDBSA-N 2 0 282.428 1.404 10 30 CDEERP C=CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001566600638 1168352900 /nfs/dbraw/zinc/35/29/00/1168352900.db2.gz HNAUTHYESZNEMP-UHFFFAOYSA-N 2 0 277.412 1.239 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001566665256 1168377280 /nfs/dbraw/zinc/37/72/80/1168377280.db2.gz PAPYHEACGXEIRV-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001567178141 1168606988 /nfs/dbraw/zinc/60/69/88/1168606988.db2.gz ZLOCIWIXQKURDH-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266361278 894564676 /nfs/dbraw/zinc/56/46/76/894564676.db2.gz KHPVZIVFRQLFPQ-CVEARBPZSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001266533593 895257431 /nfs/dbraw/zinc/25/74/31/895257431.db2.gz MTGXIRYONLXTQP-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001266693462 895846631 /nfs/dbraw/zinc/84/66/31/895846631.db2.gz ZZAVKVHSICTANJ-QXSJWSMHSA-N 2 0 289.423 1.263 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001266865380 896232038 /nfs/dbraw/zinc/23/20/38/896232038.db2.gz UCBJKUSEGJBELI-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001266865381 896232447 /nfs/dbraw/zinc/23/24/47/896232447.db2.gz UCBJKUSEGJBELI-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001279587916 896947002 /nfs/dbraw/zinc/94/70/02/896947002.db2.gz OTSSJFOPXBPRRI-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267792326 899738495 /nfs/dbraw/zinc/73/84/95/899738495.db2.gz YGCMJWXFSHJRQR-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001267847761 899866323 /nfs/dbraw/zinc/86/63/23/899866323.db2.gz BIPPQZKCYQGIBP-GOEBONIOSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001567701107 1168925871 /nfs/dbraw/zinc/92/58/71/1168925871.db2.gz BQUOZJSKAYTPAR-HOTGVXAUSA-N 2 0 293.455 1.424 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001481989764 902442264 /nfs/dbraw/zinc/44/22/64/902442264.db2.gz NBWWHTCTGZEITL-HNNXBMFYSA-N 2 0 279.428 1.487 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001482026537 902484313 /nfs/dbraw/zinc/48/43/13/902484313.db2.gz LVHSETSVFKHLTQ-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001268704586 902987698 /nfs/dbraw/zinc/98/76/98/902987698.db2.gz JQNMAWSBZUHCLN-ZDUSSCGKSA-N 2 0 267.417 1.082 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001269250594 903607727 /nfs/dbraw/zinc/60/77/27/903607727.db2.gz GPVDGIDTTWWECN-CHWSQXEVSA-N 2 0 253.390 1.045 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001269296382 903670952 /nfs/dbraw/zinc/67/09/52/903670952.db2.gz MXLHRKDVWBCWHP-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001270166186 904409691 /nfs/dbraw/zinc/40/96/91/904409691.db2.gz TZGJWPPIDNDSNF-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001270211284 904447108 /nfs/dbraw/zinc/44/71/08/904447108.db2.gz RKSVWQBLMNKAEV-BZUAXINKSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCC1 ZINC001270431888 904632513 /nfs/dbraw/zinc/63/25/13/904632513.db2.gz QGXUFXORBWGMMS-HOCLYGCPSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001270624373 904832705 /nfs/dbraw/zinc/83/27/05/904832705.db2.gz PEJBHQVWIJVFFL-GOEBONIOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001482434026 905394462 /nfs/dbraw/zinc/39/44/62/905394462.db2.gz NDMZEXIMIOIGQK-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001482435356 905402188 /nfs/dbraw/zinc/40/21/88/905402188.db2.gz RAIYFZFRKJGESE-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001567884635 1169040013 /nfs/dbraw/zinc/04/00/13/1169040013.db2.gz YCEIAOIQDAGSQE-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001482549629 907003354 /nfs/dbraw/zinc/00/33/54/907003354.db2.gz FNPBYTIXCJVPSE-KKUMJFAQSA-N 2 0 281.444 1.633 10 30 CDEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1csc(C#N)c1 ZINC000922244039 921404828 /nfs/dbraw/zinc/40/48/28/921404828.db2.gz TUORELDWRKSCDT-ZDUSSCGKSA-N 2 0 294.468 1.981 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482865405 908443955 /nfs/dbraw/zinc/44/39/55/908443955.db2.gz ODLNQPJJOVXPHA-ILXRZTDVSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001567981576 1169107020 /nfs/dbraw/zinc/10/70/20/1169107020.db2.gz VJQJCALOKVXIIS-INIZCTEOSA-N 2 0 287.407 1.479 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCCC=C)CC1 ZINC001483296406 910815964 /nfs/dbraw/zinc/81/59/64/910815964.db2.gz HTFRGBXIMYNWKO-HNNXBMFYSA-N 2 0 291.439 1.392 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483339776 910935313 /nfs/dbraw/zinc/93/53/13/910935313.db2.gz SSZGJNOXJGNTJB-OAHLLOKOSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001483601090 911305230 /nfs/dbraw/zinc/30/52/30/911305230.db2.gz MEOADIPCSXKXSJ-ZDUSSCGKSA-N 2 0 297.830 1.319 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001483793865 915071962 /nfs/dbraw/zinc/07/19/62/915071962.db2.gz NBVCNAJKIKUBHO-KBPBESRZSA-N 2 0 279.428 1.674 10 30 CDEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484161691 915485207 /nfs/dbraw/zinc/48/52/07/915485207.db2.gz YHKIUMQHBVNPLL-KRWDZBQOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001484378290 915692395 /nfs/dbraw/zinc/69/23/95/915692395.db2.gz WOUUXKQXOFTEKJ-GJZGRUSLSA-N 2 0 295.471 1.834 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCOCC1 ZINC001484870414 916219490 /nfs/dbraw/zinc/21/94/90/916219490.db2.gz DEOLJCIKMNITHD-AWEZNQCLSA-N 2 0 297.443 1.158 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001485040924 916404426 /nfs/dbraw/zinc/40/44/26/916404426.db2.gz OBHZXMBSVHBHLM-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001568198032 1169172494 /nfs/dbraw/zinc/17/24/94/1169172494.db2.gz FWAVLQNWMFUAOM-AWEZNQCLSA-N 2 0 289.423 1.890 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485230069 916682659 /nfs/dbraw/zinc/68/26/59/916682659.db2.gz PKOYGAYLXPJBGP-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001485323841 916841588 /nfs/dbraw/zinc/84/15/88/916841588.db2.gz VBZBYMPNDMPPGF-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001266191620 936568214 /nfs/dbraw/zinc/56/82/14/936568214.db2.gz GOBVVQXQSBHFBP-CQSZACIVSA-N 2 0 267.417 1.533 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001280470991 919863268 /nfs/dbraw/zinc/86/32/68/919863268.db2.gz KIFRSEAFAPDHIF-ZDUSSCGKSA-N 2 0 265.401 1.285 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001272888591 919964884 /nfs/dbraw/zinc/96/48/84/919964884.db2.gz DANOKKUZMIYPNU-CYBMUJFWSA-N 2 0 265.401 1.285 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001485893367 920551621 /nfs/dbraw/zinc/55/16/21/920551621.db2.gz JVANTZUQSMHHSO-GFCCVEGCSA-N 2 0 286.379 1.879 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001273097472 921969477 /nfs/dbraw/zinc/96/94/77/921969477.db2.gz CNCHDCFNXMCMQN-AWEZNQCLSA-N 2 0 297.443 1.158 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001491018685 936843089 /nfs/dbraw/zinc/84/30/89/936843089.db2.gz QCKPXRQQPLMOPQ-APIJFGDWSA-N 2 0 279.428 1.530 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001491504100 936926302 /nfs/dbraw/zinc/92/63/02/936926302.db2.gz ISAJUPQTJPMMFO-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCO1 ZINC001273277077 925740488 /nfs/dbraw/zinc/74/04/88/925740488.db2.gz PVSFOPDEYSAUEB-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001568453543 1169297174 /nfs/dbraw/zinc/29/71/74/1169297174.db2.gz UJBBPVHGYJNJHS-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+]1CCCC[C@@H]1C ZINC000852859339 927898218 /nfs/dbraw/zinc/89/82/18/927898218.db2.gz SARHSNXAXIKYOK-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001568516138 1169340983 /nfs/dbraw/zinc/34/09/83/1169340983.db2.gz UCBODFGRVDBQLA-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001274368455 931494400 /nfs/dbraw/zinc/49/44/00/931494400.db2.gz LMQJAEMKBSJORE-XVWMLYKFSA-N 2 0 279.428 1.556 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001274382392 931495171 /nfs/dbraw/zinc/49/51/71/931495171.db2.gz NCZPNODIGBIQSA-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001274509169 931505243 /nfs/dbraw/zinc/50/52/43/931505243.db2.gz KQFQHGUBUGCWFG-IYKSTZQJSA-N 2 0 291.439 1.699 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001275815505 932059884 /nfs/dbraw/zinc/05/98/84/932059884.db2.gz HRESPADKFUVCTJ-HZPDHXFCSA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001276146651 932565693 /nfs/dbraw/zinc/56/56/93/932565693.db2.gz HQJCAZNRHMRRNG-HZPDHXFCSA-N 2 0 293.455 1.424 10 30 CDEERP C=CCO[C@H]1CC[N@@H+](CC2CC[NH+](CC)CC2)C1 ZINC001204961980 939809379 /nfs/dbraw/zinc/80/93/79/939809379.db2.gz YUQXKCORSQLVMV-HNNXBMFYSA-N 2 0 252.402 1.995 10 30 CDEERP C#CCC[NH2+][C@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001329766168 941031936 /nfs/dbraw/zinc/03/19/36/941031936.db2.gz WADNGORIFHQJDS-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001276976549 941762342 /nfs/dbraw/zinc/76/23/42/941762342.db2.gz FADBVILBXDQLCU-JYJNAYRXSA-N 2 0 291.439 1.367 10 30 CDEERP CC#CC[N@@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001277441981 942579001 /nfs/dbraw/zinc/57/90/01/942579001.db2.gz WIKCTIDQQHDDQR-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001281939418 942633396 /nfs/dbraw/zinc/63/33/96/942633396.db2.gz FZAHHTPESDIHCD-GJZGRUSLSA-N 2 0 299.434 1.775 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001281939416 942633756 /nfs/dbraw/zinc/63/37/56/942633756.db2.gz FZAHHTPESDIHCD-CABCVRRESA-N 2 0 299.434 1.775 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001282240009 942682987 /nfs/dbraw/zinc/68/29/87/942682987.db2.gz AYJIFBZMUMKSLG-STQMWFEESA-N 2 0 255.406 1.386 10 30 CDEERP CC#CC[NH2+]C1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001282270262 942684512 /nfs/dbraw/zinc/68/45/12/942684512.db2.gz NKZOCBNVRRPIKE-UHFFFAOYSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCCCC1 ZINC001282636630 942734653 /nfs/dbraw/zinc/73/46/53/942734653.db2.gz QXBCNBNQWHJCJG-UHFFFAOYSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001283072120 942816150 /nfs/dbraw/zinc/81/61/50/942816150.db2.gz QNAONGSAZACSOW-SHTZXODSSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001283441279 942898985 /nfs/dbraw/zinc/89/89/85/942898985.db2.gz CDZJNLUZBBJIMT-CVEARBPZSA-N 2 0 293.455 1.613 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001283554791 942932296 /nfs/dbraw/zinc/93/22/96/942932296.db2.gz FWCLAQPZMGMEEZ-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+][C@H](CCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001277570113 943021692 /nfs/dbraw/zinc/02/16/92/943021692.db2.gz VTNMWABPNLZTFU-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001284003913 943042693 /nfs/dbraw/zinc/04/26/93/943042693.db2.gz MVKBQQKZGIJQND-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001284031662 943057137 /nfs/dbraw/zinc/05/71/37/943057137.db2.gz LBBSPCDPLVIZDV-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001284639523 943231296 /nfs/dbraw/zinc/23/12/96/943231296.db2.gz AQFZSCBYWWDHDU-CHWSQXEVSA-N 2 0 267.417 1.080 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001277755969 943481186 /nfs/dbraw/zinc/48/11/86/943481186.db2.gz LBOCJLWADKVFIX-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001264008132 944062359 /nfs/dbraw/zinc/06/23/59/944062359.db2.gz CJDZQDLVEUBZSL-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265276128 944309658 /nfs/dbraw/zinc/30/96/58/944309658.db2.gz ZEDMQWWWEQGSMX-UONOGXRCSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265573072 944432668 /nfs/dbraw/zinc/43/26/68/944432668.db2.gz SJTYVWHFXGNYGH-XHSDSOJGSA-N 2 0 293.455 1.920 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001265621536 944448599 /nfs/dbraw/zinc/44/85/99/944448599.db2.gz LQVPTMXHDYQBHI-XHSDSOJGSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001265687512 944470131 /nfs/dbraw/zinc/47/01/31/944470131.db2.gz BDFZESCPMAKAMV-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC(=C)Cl)CC1 ZINC001265870188 944550071 /nfs/dbraw/zinc/55/00/71/944550071.db2.gz KWZDBZVJONXVDN-ZDUSSCGKSA-N 2 0 297.830 1.178 10 30 CDEERP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001265910318 944570789 /nfs/dbraw/zinc/57/07/89/944570789.db2.gz VRUSUZHCYNDXPA-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266094699 944677130 /nfs/dbraw/zinc/67/71/30/944677130.db2.gz YMICSEUCOGRYGW-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266110736 944686512 /nfs/dbraw/zinc/68/65/12/944686512.db2.gz NYVARLGLSRBONS-GJZGRUSLSA-N 2 0 279.428 1.273 10 30 CDEERP C#CCC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001266197987 944748690 /nfs/dbraw/zinc/74/86/90/944748690.db2.gz UWGDOEFQEPTMMG-UHFFFAOYSA-N 2 0 279.428 1.273 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001479368028 971313521 /nfs/dbraw/zinc/31/35/21/971313521.db2.gz APLHWSAOVXABCN-JYJNAYRXSA-N 2 0 291.439 1.367 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001479401166 971319742 /nfs/dbraw/zinc/31/97/42/971319742.db2.gz ZIQDPBZGRARKEP-WKILWMFISA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1CC ZINC001479637527 971354053 /nfs/dbraw/zinc/35/40/53/971354053.db2.gz SNUMIYBUUDTZHK-LSDHHAIUSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001278532439 949767836 /nfs/dbraw/zinc/76/78/36/949767836.db2.gz DGBNSMAZAKTRKK-UONOGXRCSA-N 2 0 267.417 1.482 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480387273 971696274 /nfs/dbraw/zinc/69/62/74/971696274.db2.gz QGDLXDLKLZPRNM-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278679052 951611050 /nfs/dbraw/zinc/61/10/50/951611050.db2.gz ZCJGWCPDKPNVJW-GOEBONIOSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001569173440 1169702273 /nfs/dbraw/zinc/70/22/73/1169702273.db2.gz FPXAKCAPEOWTFQ-HZPDHXFCSA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001326305425 954311394 /nfs/dbraw/zinc/31/13/94/954311394.db2.gz UKLACDCFZHNNFE-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001327258855 954795950 /nfs/dbraw/zinc/79/59/50/954795950.db2.gz UZQLCOGEHRFPMY-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001491855725 955469570 /nfs/dbraw/zinc/46/95/70/955469570.db2.gz KLVCGUPNZYCIEL-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001491806019 955472463 /nfs/dbraw/zinc/47/24/63/955472463.db2.gz XAOXBYFJSNIQME-GOEBONIOSA-N 2 0 291.439 1.342 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001491886820 955492265 /nfs/dbraw/zinc/49/22/65/955492265.db2.gz QFQKJMKMSZTKRP-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001491891362 955495260 /nfs/dbraw/zinc/49/52/60/955495260.db2.gz JKFMOGQBNGGWAI-JKSUJKDBSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001421752087 955522578 /nfs/dbraw/zinc/52/25/78/955522578.db2.gz FHFOIHSMCJPXIY-DGCLKSJQSA-N 2 0 287.835 1.423 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001328875868 955529275 /nfs/dbraw/zinc/52/92/75/955529275.db2.gz MCOUJYYRFYHAQO-NRXISQOPSA-N 2 0 279.428 1.080 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001492165199 955662514 /nfs/dbraw/zinc/66/25/14/955662514.db2.gz OXNRGQKVDPKLJU-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[N@@H+](C)CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001492358067 955826930 /nfs/dbraw/zinc/82/69/30/955826930.db2.gz FDUVSYREBXLIAN-UHFFFAOYSA-N 2 0 287.407 1.086 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317293847 956033222 /nfs/dbraw/zinc/03/32/22/956033222.db2.gz IVQMJUMMFFMNRB-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001494043644 972167492 /nfs/dbraw/zinc/16/74/92/972167492.db2.gz UBUZZMYFHUACQH-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001331001569 956753959 /nfs/dbraw/zinc/75/39/59/956753959.db2.gz OYULDOASONOYMB-INIZCTEOSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001317034563 957217717 /nfs/dbraw/zinc/21/77/17/957217717.db2.gz NRCIHQAJSKIEEI-AWEZNQCLSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001317060260 957236534 /nfs/dbraw/zinc/23/65/34/957236534.db2.gz ZRKMQHCDUCFZMX-ZDUSSCGKSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001494625035 972271195 /nfs/dbraw/zinc/27/11/95/972271195.db2.gz INMKPJVIDRSSJV-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001317802057 957668826 /nfs/dbraw/zinc/66/88/26/957668826.db2.gz HIODVZDGWFRGBB-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001318597309 958189909 /nfs/dbraw/zinc/18/99/09/958189909.db2.gz ZMXXIYMBMWKPOP-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCC[NH2+]C[C@@](C)(NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001318714743 958243327 /nfs/dbraw/zinc/24/33/27/958243327.db2.gz SADUOXYWIQRIRH-RHSMWYFYSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001319031627 958343669 /nfs/dbraw/zinc/34/36/69/958343669.db2.gz LSXILCMAJMUZJR-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001319208179 958435272 /nfs/dbraw/zinc/43/52/72/958435272.db2.gz WSQVJLNUBMNPJH-GFCCVEGCSA-N 2 0 286.379 1.784 10 30 CDEERP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319609452 958652342 /nfs/dbraw/zinc/65/23/42/958652342.db2.gz MSOYNGMLRVLHCW-BZUAXINKSA-N 2 0 293.455 1.470 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001319688194 958688380 /nfs/dbraw/zinc/68/83/80/958688380.db2.gz AIGFSFUIERRXLU-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001569327022 1169768057 /nfs/dbraw/zinc/76/80/57/1169768057.db2.gz FIMHDSBNPXXPJP-CABCVRRESA-N 2 0 281.444 1.633 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001321334525 959729225 /nfs/dbraw/zinc/72/92/25/959729225.db2.gz AWJBHBONZQWOEI-YCZSJOHXSA-N 2 0 291.439 1.392 10 30 CDEERP CC#CC[NH2+]C[C@](C)(NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001495279566 972463601 /nfs/dbraw/zinc/46/36/01/972463601.db2.gz ZYIAISGTXKWRPY-KRWDZBQOSA-N 2 0 291.439 1.226 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001495376782 972484844 /nfs/dbraw/zinc/48/48/44/972484844.db2.gz AJYDJNLOSBELNE-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001322843622 960339543 /nfs/dbraw/zinc/33/95/43/960339543.db2.gz DQVWKPOJMYQCMK-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP C=CCC[C@@H](CO)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001560831941 961015590 /nfs/dbraw/zinc/01/55/90/961015590.db2.gz WTCBETHRAAHSFI-CGZBRXJRSA-N 2 0 296.455 1.937 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001441855869 964752837 /nfs/dbraw/zinc/75/28/37/964752837.db2.gz QBMQBFVZEWQLPG-NWDGAFQWSA-N 2 0 273.808 1.318 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001479913052 966087917 /nfs/dbraw/zinc/08/79/17/966087917.db2.gz MMGFLRWJMQHSDZ-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)CCC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC001353737977 968196590 /nfs/dbraw/zinc/19/65/90/968196590.db2.gz BVKREJBBMGGXNM-AWEZNQCLSA-N 2 0 269.433 1.731 10 30 CDEERP C=CCNC(=[NH2+])NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000849046485 969433640 /nfs/dbraw/zinc/43/36/40/969433640.db2.gz SKKWSVORRVUAMQ-CABCVRRESA-N 2 0 272.396 1.632 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001357993667 969677003 /nfs/dbraw/zinc/67/70/03/969677003.db2.gz PZTFHAAVOHFKFP-IHRRRGAJSA-N 2 0 265.401 1.223 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001496358670 972898004 /nfs/dbraw/zinc/89/80/04/972898004.db2.gz CKLBJPMIKJGNIO-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001496597970 972985131 /nfs/dbraw/zinc/98/51/31/972985131.db2.gz IOIXLISPUSLQLU-HNNXBMFYSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001497660321 973454137 /nfs/dbraw/zinc/45/41/37/973454137.db2.gz DNLBRJGUYRRRDB-KJPDOMRESA-N 2 0 293.455 1.947 10 30 CDEERP C=CCCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497749616 973487601 /nfs/dbraw/zinc/48/76/01/973487601.db2.gz JWQHBXDHDAXATD-UZYOAWRESA-N 2 0 265.401 1.166 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001498771375 974056769 /nfs/dbraw/zinc/05/67/69/974056769.db2.gz YFZORDVSISBDIT-CVEARBPZSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001499074790 974178992 /nfs/dbraw/zinc/17/89/92/974178992.db2.gz YUDKZITYONYUOI-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001499372265 974245306 /nfs/dbraw/zinc/24/53/06/974245306.db2.gz WBSUAJOZDWZSKV-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001500357967 974427254 /nfs/dbraw/zinc/42/72/54/974427254.db2.gz JIKFZJHQYXLRQV-WBVHZDCISA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCOCC1 ZINC001569732652 1169979541 /nfs/dbraw/zinc/97/95/41/1169979541.db2.gz RLPISNGAYCNRNG-AWEZNQCLSA-N 2 0 297.443 1.158 10 30 CDEERP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001501403905 974578206 /nfs/dbraw/zinc/57/82/06/974578206.db2.gz MVGODSUKRUHKGX-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001501618486 974608794 /nfs/dbraw/zinc/60/87/94/974608794.db2.gz LMDNGVZLRWGMJZ-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001502795194 974784381 /nfs/dbraw/zinc/78/43/81/974784381.db2.gz CWKBXIIIFTXOFG-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001502970472 974805839 /nfs/dbraw/zinc/80/58/39/974805839.db2.gz RUMPYKLTBFWPCV-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001503015774 974809913 /nfs/dbraw/zinc/80/99/13/974809913.db2.gz WQVJKYLCCYTMLV-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001503503161 974823866 /nfs/dbraw/zinc/82/38/66/974823866.db2.gz ULPIHEUMXXMGJD-HOTGVXAUSA-N 2 0 293.455 1.757 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001505455494 974886123 /nfs/dbraw/zinc/88/61/23/974886123.db2.gz BQSZKYYBZVRAPE-CABCVRRESA-N 2 0 281.444 1.826 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001505505903 974896988 /nfs/dbraw/zinc/89/69/88/974896988.db2.gz ADGDWJRUOAUMLX-UHFFFAOYSA-N 2 0 296.374 1.374 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001379706296 976021593 /nfs/dbraw/zinc/02/15/93/976021593.db2.gz BJVDJTURKINXOR-LBPRGKRZSA-N 2 0 287.835 1.517 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001406782137 976404760 /nfs/dbraw/zinc/40/47/60/976404760.db2.gz YARVHOXTBMJIID-MRVWCRGKSA-N 2 0 299.846 1.564 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001569829366 1170009211 /nfs/dbraw/zinc/00/92/11/1170009211.db2.gz XULGVSKEPAIXIT-UONOGXRCSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001400918762 977243952 /nfs/dbraw/zinc/24/39/52/977243952.db2.gz WOGNSTYNGVOXJU-GFCCVEGCSA-N 2 0 285.819 1.319 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001393900595 977954467 /nfs/dbraw/zinc/95/44/67/977954467.db2.gz JLXYBBSTBLASDR-BPCQOVAHSA-N 2 0 287.835 1.564 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001675055172 1174069819 /nfs/dbraw/zinc/06/98/19/1174069819.db2.gz YGIVXTIRFMNXRN-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001676222805 1174193503 /nfs/dbraw/zinc/19/35/03/1174193503.db2.gz ZUDSBZRSGVBNMU-HNNXBMFYSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001677431084 1174360983 /nfs/dbraw/zinc/36/09/83/1174360983.db2.gz JLZTVOGEJACXPK-UHFFFAOYSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001570772313 1170276610 /nfs/dbraw/zinc/27/66/10/1170276610.db2.gz HFEMMTSSUHNLPQ-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001571632972 1170502943 /nfs/dbraw/zinc/50/29/43/1170502943.db2.gz GABIQYJLZWBJHZ-GJZGRUSLSA-N 2 0 293.455 1.472 10 30 CDEERP C[N@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)C1CCCC1 ZINC000594436607 342899512 /nfs/dbraw/zinc/89/95/12/342899512.db2.gz DROBYCCFXZWSOH-AWEZNQCLSA-N 2 0 280.416 1.388 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000594438820 342906209 /nfs/dbraw/zinc/90/62/09/342906209.db2.gz MBBLTEUTCSOOIQ-QLFBSQMISA-N 2 0 292.427 1.388 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594439596 342906748 /nfs/dbraw/zinc/90/67/48/342906748.db2.gz XPCRMCKMVNNCES-LSDHHAIUSA-N 2 0 292.427 1.484 10 30 CDEERP N#CC1(C[C@@H](O)C[NH2+]CCC[NH+]2CCCC2)CC1 ZINC000600716090 342244210 /nfs/dbraw/zinc/24/42/10/342244210.db2.gz WGVLBAIIHXKAMM-CYBMUJFWSA-N 2 0 251.374 1.117 10 30 CDEERP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000601976115 344305178 /nfs/dbraw/zinc/30/51/78/344305178.db2.gz ROFUUCRHXMKXGQ-OLZOCXBDSA-N 2 0 280.416 1.292 10 30 CDEERP C[NH+]=C(NCC[NH+]1CCCC1)N[C@H](C)c1ccc(C)o1 ZINC000072285636 356738764 /nfs/dbraw/zinc/73/87/64/356738764.db2.gz CLLARWAXDBMFSQ-CYBMUJFWSA-N 2 0 278.400 1.910 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001660826246 1172284271 /nfs/dbraw/zinc/28/42/71/1172284271.db2.gz HWKIKHKPMMHRTJ-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422995018 374366389 /nfs/dbraw/zinc/36/63/89/374366389.db2.gz WUXINSIJNNRSOY-UKRRQHHQSA-N 2 0 259.353 1.654 10 30 CDEERP C[N@@H+](Cc1cccc(C#N)c1)CC1CC[NH+](CCO)CC1 ZINC000070040919 379340427 /nfs/dbraw/zinc/34/04/27/379340427.db2.gz YRMYRBPWDNPFQZ-UHFFFAOYSA-N 2 0 287.407 1.694 10 30 CDEERP C=CCCn1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)nn1 ZINC000655939461 412954729 /nfs/dbraw/zinc/95/47/29/412954729.db2.gz HORFHGQLBHHOEF-AWEZNQCLSA-N 2 0 289.427 1.818 10 30 CDEERP C#CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001663547311 1172721453 /nfs/dbraw/zinc/72/14/53/1172721453.db2.gz CXGYWASUFCDNEN-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000234801761 140231378 /nfs/dbraw/zinc/23/13/78/140231378.db2.gz DYWUZHFVTMUVQH-WFASDCNBSA-N 2 0 261.369 1.963 10 30 CDEERP C=CC[C@@]1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC[NH2+]1 ZINC000662741727 413417323 /nfs/dbraw/zinc/41/73/23/413417323.db2.gz HFDKYSUKYBXPNV-BTFYYFJDSA-N 2 0 291.439 1.816 10 30 CDEERP C#CCC[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001665681436 1173037023 /nfs/dbraw/zinc/03/70/23/1173037023.db2.gz GCSGKSLNPDDKOJ-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000662081757 414503793 /nfs/dbraw/zinc/50/37/93/414503793.db2.gz RVWZWELCFRWXHW-OAGGEKHMSA-N 2 0 291.439 1.722 10 30 CDEERP CC(C)[N@H+](CCCO)Cc1cc(C#CC[NH3+])cs1 ZINC000043689092 175095444 /nfs/dbraw/zinc/09/54/44/175095444.db2.gz AMJYJHYQHLNHOO-UHFFFAOYSA-N 2 0 266.410 1.651 10 30 CDEERP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000071145424 176041834 /nfs/dbraw/zinc/04/18/34/176041834.db2.gz NKOWMSCXRAIYPY-AWEZNQCLSA-N 2 0 286.379 1.428 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001666526298 1173145861 /nfs/dbraw/zinc/14/58/61/1173145861.db2.gz XITNGDKACYBLEC-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCS[C@@H](CC)C1 ZINC000124788529 263920599 /nfs/dbraw/zinc/92/05/99/263920599.db2.gz ZYXKWOFIQUEKHT-KBPBESRZSA-N 2 0 298.500 1.874 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H](C)C[NH+](CC)CC)CCC[NH2+]1 ZINC000662691483 424323535 /nfs/dbraw/zinc/32/35/35/424323535.db2.gz IZNASAWSAIDLOW-UKRRQHHQSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCC[NH2+]1 ZINC000662782071 424457711 /nfs/dbraw/zinc/45/77/11/424457711.db2.gz BBMXVEZCGVDMNY-LZWOXQAQSA-N 2 0 277.412 1.143 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001669751294 1173593190 /nfs/dbraw/zinc/59/31/90/1173593190.db2.gz ZUTXLJDPWPIUSO-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)c1cccc2nccn21 ZINC001670173355 1173659637 /nfs/dbraw/zinc/65/96/37/1173659637.db2.gz BPIXQRBMLKPSKH-UHFFFAOYSA-N 2 0 272.352 1.572 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001671863106 1173716677 /nfs/dbraw/zinc/71/66/77/1173716677.db2.gz SJPZHGFABGAHJZ-AWEZNQCLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262674213 330026188 /nfs/dbraw/zinc/02/61/88/330026188.db2.gz QKYXNXDAEZWEEB-IMJJTQAJSA-N 2 0 291.439 1.674 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001267276047 1159227730 /nfs/dbraw/zinc/22/77/30/1159227730.db2.gz MRGWQHXOLFCBNO-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001698951690 1175993557 /nfs/dbraw/zinc/99/35/57/1175993557.db2.gz GHMHIFZUYJEJFW-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001481059613 1159507055 /nfs/dbraw/zinc/50/70/55/1159507055.db2.gz UCWVOSVDTHZTSG-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268068002 1159774077 /nfs/dbraw/zinc/77/40/77/1159774077.db2.gz IFIBOZSPWGMMBK-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001270111800 1160090595 /nfs/dbraw/zinc/09/05/95/1160090595.db2.gz AFZKDAAREKETGY-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)[C@H](CO)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000684212504 482704953 /nfs/dbraw/zinc/70/49/53/482704953.db2.gz TZDNUFJMWSZPAI-KSZLIROESA-N 2 0 286.419 1.987 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715072307 1179540179 /nfs/dbraw/zinc/54/01/79/1179540179.db2.gz URZYIRBOXSFHBI-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001725584934 1182062162 /nfs/dbraw/zinc/06/21/62/1182062162.db2.gz DLKHSXJWCGLSJW-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001731806500 1182594725 /nfs/dbraw/zinc/59/47/25/1182594725.db2.gz AULFQTWJFVRRAS-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C[C@@H](CC[NH+](C)C)NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000049561927 524471905 /nfs/dbraw/zinc/47/19/05/524471905.db2.gz PONNDTYPBAHBTH-LBPRGKRZSA-N 2 0 291.370 1.206 10 30 CDEERP C#CC[NH+]1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001690023504 1175347751 /nfs/dbraw/zinc/34/77/51/1175347751.db2.gz VQQXNTMVYBDMCC-UHFFFAOYSA-N 2 0 277.412 1.027 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001690164688 1175391378 /nfs/dbraw/zinc/39/13/78/1175391378.db2.gz LHRUOZCBWBDOLZ-HZPDHXFCSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221122 613026367 /nfs/dbraw/zinc/02/63/67/613026367.db2.gz LHMHJHSURXZZDC-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842626 613229968 /nfs/dbraw/zinc/22/99/68/613229968.db2.gz KUDDVCGKVBZOPH-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002242 613257707 /nfs/dbraw/zinc/25/77/07/613257707.db2.gz FHQYQAGYIIFFLC-HNNXBMFYSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939246925 613351331 /nfs/dbraw/zinc/35/13/31/613351331.db2.gz LVLNLHANQVUPJZ-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP N#Cc1ccc([C@H](O)CN2CC[NH2+]CCC23CCC3)cc1 ZINC000923427587 618335883 /nfs/dbraw/zinc/33/58/83/618335883.db2.gz SPQKCMVJCZDSNP-MRXNPFEDSA-N 2 0 285.391 1.810 10 30 CDEERP C=C[C@H]1CCCC[N@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903914766 626134359 /nfs/dbraw/zinc/13/43/59/626134359.db2.gz VWNYLXPDTUAXFD-ZBFHGGJFSA-N 2 0 276.428 1.886 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000912282328 629890629 /nfs/dbraw/zinc/89/06/29/629890629.db2.gz CJRVKFNINOTCHN-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC2CCC2)CC1 ZINC001691000862 1158524367 /nfs/dbraw/zinc/52/43/67/1158524367.db2.gz VJXVDFRBJUNHAU-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001691989262 1158653983 /nfs/dbraw/zinc/65/39/83/1158653983.db2.gz CRPGJPFXTSXTNB-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP C=CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001691211068 1158959626 /nfs/dbraw/zinc/95/96/26/1158959626.db2.gz JMZWZVASMIRUBL-UKRRQHHQSA-N 2 0 279.428 1.483 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482102233 1159981062 /nfs/dbraw/zinc/98/10/62/1159981062.db2.gz RJYPKORGJUWEEZ-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001670812239 1160197751 /nfs/dbraw/zinc/19/77/51/1160197751.db2.gz UCNMBNAMISPXNR-UHFFFAOYSA-N 2 0 277.412 1.429 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483051897 1160711225 /nfs/dbraw/zinc/71/12/25/1160711225.db2.gz YZUSGAYUGDSEEP-KXLSMFKISA-N 2 0 277.412 1.002 10 30 CDEERP C#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484167691 1161257085 /nfs/dbraw/zinc/25/70/85/1161257085.db2.gz GOFJPMKZVGWINJ-NVXWUHKLSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000876522998 1165861942 /nfs/dbraw/zinc/86/19/42/1165861942.db2.gz HYZRQJQRKZDWLL-KOLCDFICSA-N 2 0 259.781 1.042 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000876947769 1165946401 /nfs/dbraw/zinc/94/64/01/1165946401.db2.gz BDMFRHNINQNYTF-USWWRNFRSA-N 2 0 273.808 1.432 10 30 CDEERP C=CC[C@]1(C(=O)N2C3CCC2(C[NH3+])CC3)CCC[NH2+]1 ZINC000877184501 1165990574 /nfs/dbraw/zinc/99/05/74/1165990574.db2.gz PEUFTACKYWPGIO-PESDSKBTSA-N 2 0 263.385 1.167 10 30 CDEERP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001567752109 1168953472 /nfs/dbraw/zinc/95/34/72/1168953472.db2.gz FSEZTFYMSOWDFU-OAHLLOKOSA-N 2 0 281.444 1.683 10 30 CDEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001568021539 1169120605 /nfs/dbraw/zinc/12/06/05/1169120605.db2.gz FWWWRQVEBBWLJH-KRWDZBQOSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001568121847 1169140179 /nfs/dbraw/zinc/14/01/79/1169140179.db2.gz PWAORJHGJBYAIT-KRWDZBQOSA-N 2 0 299.418 1.367 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001568453541 1169295854 /nfs/dbraw/zinc/29/58/54/1169295854.db2.gz UJBBPVHGYJNJHS-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001568969946 1169568463 /nfs/dbraw/zinc/56/84/63/1169568463.db2.gz RFTAGBRVXWPSFY-LZNQSLFOSA-N 2 0 279.428 1.699 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001569543867 1169918704 /nfs/dbraw/zinc/91/87/04/1169918704.db2.gz BMBNUHZJVCGVLH-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001569690056 1169967297 /nfs/dbraw/zinc/96/72/97/1169967297.db2.gz JFQUYEIMJZYHIK-HOCLYGCPSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001570561500 1170189516 /nfs/dbraw/zinc/18/95/16/1170189516.db2.gz VWLKGJWPPKXLLP-GPANFISMSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001650413568 1171041564 /nfs/dbraw/zinc/04/15/64/1171041564.db2.gz XKJLPNNGGJPYSK-GMXVVIOVSA-N 2 0 271.792 1.186 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC001586902194 1172965954 /nfs/dbraw/zinc/96/59/54/1172965954.db2.gz KSOUDPXQMVEJOD-UHFFFAOYSA-N 2 0 279.428 1.581 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001666920832 1173207522 /nfs/dbraw/zinc/20/75/22/1173207522.db2.gz KSBQQSDVUUNFNY-LBPRGKRZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001674558443 1173963393 /nfs/dbraw/zinc/96/33/93/1173963393.db2.gz NSEMNKHSQKVVHU-UHFFFAOYSA-N 2 0 298.390 1.927 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001690277787 1175421529 /nfs/dbraw/zinc/42/15/29/1175421529.db2.gz JUHFQBXQNKLIGS-AVGNSLFASA-N 2 0 271.380 1.089 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001690584303 1175512291 /nfs/dbraw/zinc/51/22/91/1175512291.db2.gz JYAHRCLXWTWMFJ-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001690755492 1175565302 /nfs/dbraw/zinc/56/53/02/1175565302.db2.gz HKPPJHPXGNYTLO-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001690811522 1175579225 /nfs/dbraw/zinc/57/92/25/1175579225.db2.gz TXCMIJZRVLGVJO-LSDHHAIUSA-N 2 0 297.418 1.222 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001690858184 1175592276 /nfs/dbraw/zinc/59/22/76/1175592276.db2.gz TZPIKCBXQJSOJB-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001692236965 1175710639 /nfs/dbraw/zinc/71/06/39/1175710639.db2.gz VOBSNJLPFIYIGL-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CCCC1 ZINC001698806178 1175940397 /nfs/dbraw/zinc/94/03/97/1175940397.db2.gz LMXTXDNGMYFMDN-UHFFFAOYSA-N 2 0 267.417 1.533 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001698831834 1175954963 /nfs/dbraw/zinc/95/49/63/1175954963.db2.gz IKLAXPAXUYTPDK-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001698891963 1175979049 /nfs/dbraw/zinc/97/90/49/1175979049.db2.gz LXKKBIWTIGTBIQ-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001699384958 1176343489 /nfs/dbraw/zinc/34/34/89/1176343489.db2.gz WJSDPTKZYQWVQT-GDBMZVCRSA-N 2 0 289.423 1.960 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001699610011 1176497103 /nfs/dbraw/zinc/49/71/03/1176497103.db2.gz MSPISLPMYGOTOW-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C[NH+](C)CCC(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001699663371 1176557850 /nfs/dbraw/zinc/55/78/50/1176557850.db2.gz KKAPGBMCBFLCLB-UHFFFAOYSA-N 2 0 299.418 1.228 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001700428426 1176925103 /nfs/dbraw/zinc/92/51/03/1176925103.db2.gz AJSCEKLXCGVHMQ-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001700531694 1176999075 /nfs/dbraw/zinc/99/90/75/1176999075.db2.gz OYWXRVQHZJZHSU-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001700779998 1177129362 /nfs/dbraw/zinc/12/93/62/1177129362.db2.gz HORBMSMNJYNRIE-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001700817925 1177147988 /nfs/dbraw/zinc/14/79/88/1177147988.db2.gz PHLYOQFEQAVIBN-DZGCQCFKSA-N 2 0 277.412 1.073 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001700824689 1177150670 /nfs/dbraw/zinc/15/06/70/1177150670.db2.gz WGTXIAWSCRJSGV-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001707123474 1177954582 /nfs/dbraw/zinc/95/45/82/1177954582.db2.gz QUGBRKJNRBBDOZ-SOUVJXGZSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001707422063 1178035615 /nfs/dbraw/zinc/03/56/15/1178035615.db2.gz JJEIRDOBUFMXER-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001713159077 1178403704 /nfs/dbraw/zinc/40/37/04/1178403704.db2.gz OEECZYNWKVDHTB-RBSFLKMASA-N 2 0 277.412 1.119 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713160001 1178405433 /nfs/dbraw/zinc/40/54/33/1178405433.db2.gz BRZJKKSRRLIPIA-OXGONZEZSA-N 2 0 293.455 1.918 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001713279754 1178462694 /nfs/dbraw/zinc/46/26/94/1178462694.db2.gz TYYQPFYELKPQJG-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713756463 1178740576 /nfs/dbraw/zinc/74/05/76/1178740576.db2.gz WYZQILQVLGCMGM-JKSUJKDBSA-N 2 0 295.471 1.929 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001714082500 1178965159 /nfs/dbraw/zinc/96/51/59/1178965159.db2.gz OCLKJHQJNNMXCE-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001714108475 1178977279 /nfs/dbraw/zinc/97/72/79/1178977279.db2.gz PTSOPXCJOQTCNM-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001714121848 1178983171 /nfs/dbraw/zinc/98/31/71/1178983171.db2.gz CRPZRGDNAKDKDR-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001714157575 1178994871 /nfs/dbraw/zinc/99/48/71/1178994871.db2.gz SZZAPJGXUMSVMG-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001714348671 1179099321 /nfs/dbraw/zinc/09/93/21/1179099321.db2.gz HIFJDFCTHVDHDX-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001714367461 1179107457 /nfs/dbraw/zinc/10/74/57/1179107457.db2.gz OQTPMYKNKAAJBY-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001714417229 1179129861 /nfs/dbraw/zinc/12/98/61/1179129861.db2.gz JQIGJUZRTNAIQL-CABCVRRESA-N 2 0 279.428 1.675 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001714584959 1179242541 /nfs/dbraw/zinc/24/25/41/1179242541.db2.gz JUZPDGOOQLAIRH-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001714703407 1179347080 /nfs/dbraw/zinc/34/70/80/1179347080.db2.gz DOFQOEVWNDTZQF-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001714868879 1179430347 /nfs/dbraw/zinc/43/03/47/1179430347.db2.gz SWUSOIUIBUROHR-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001715473786 1179676814 /nfs/dbraw/zinc/67/68/14/1179676814.db2.gz MBFULDFXPWBCKY-GDBMZVCRSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001715673034 1179758861 /nfs/dbraw/zinc/75/88/61/1179758861.db2.gz NUZAHKRJJVZMKQ-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001715829013 1179854445 /nfs/dbraw/zinc/85/44/45/1179854445.db2.gz REQALKMPCZGZFS-AWEZNQCLSA-N 2 0 267.417 1.435 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001716010096 1179982242 /nfs/dbraw/zinc/98/22/42/1179982242.db2.gz WVMUFWQBILAYIZ-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001716062071 1180027718 /nfs/dbraw/zinc/02/77/18/1180027718.db2.gz SAMOAUZZZQKDMU-ZIAGYGMSSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001716073656 1180031018 /nfs/dbraw/zinc/03/10/18/1180031018.db2.gz PBNXYJGAIOLFFR-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001716440764 1180211953 /nfs/dbraw/zinc/21/19/53/1180211953.db2.gz RBJJFYMBOCPZAU-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001716540485 1180276758 /nfs/dbraw/zinc/27/67/58/1180276758.db2.gz HNIXNZIREZGDHA-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001716769663 1180407148 /nfs/dbraw/zinc/40/71/48/1180407148.db2.gz DNORSLSSEOEJKG-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CCC)C1CCCC1 ZINC001716822641 1180425849 /nfs/dbraw/zinc/42/58/49/1180425849.db2.gz ANHPKMTTWGKBOA-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001716901772 1180458464 /nfs/dbraw/zinc/45/84/64/1180458464.db2.gz PIPFXWUCPVEXDR-QGZVFWFLSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001717184016 1180564671 /nfs/dbraw/zinc/56/46/71/1180564671.db2.gz ULPSOARQVIBHGD-OAHLLOKOSA-N 2 0 297.443 1.111 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001717337482 1180622315 /nfs/dbraw/zinc/62/23/15/1180622315.db2.gz KWRMGQLNYOWQCN-ZIAGYGMSSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001717459057 1180679874 /nfs/dbraw/zinc/67/98/74/1180679874.db2.gz OQYDJUSBWCEWHH-OAHLLOKOSA-N 2 0 295.471 1.979 10 30 CDEERP C#CC[N@@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001717705132 1180796053 /nfs/dbraw/zinc/79/60/53/1180796053.db2.gz HJAVNMBQPQPDFI-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001723572289 1181588273 /nfs/dbraw/zinc/58/82/73/1181588273.db2.gz WNEJVFQWZWQHSV-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001724312816 1181663033 /nfs/dbraw/zinc/66/30/33/1181663033.db2.gz LSMZSNOATIZZFW-RDJZCZTQSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001724658355 1181716612 /nfs/dbraw/zinc/71/66/12/1181716612.db2.gz WDBYVSCTVYQLBZ-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001724886145 1181787113 /nfs/dbraw/zinc/78/71/13/1181787113.db2.gz XGGXRZUTURXSNP-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001725046719 1181833531 /nfs/dbraw/zinc/83/35/31/1181833531.db2.gz JOPRLJUOGKQHIM-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001725042876 1181833883 /nfs/dbraw/zinc/83/38/83/1181833883.db2.gz QPTAIXHRGSPZOL-CVEARBPZSA-N 2 0 293.455 1.968 10 30 CDEERP C#CCC[NH+](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001725427448 1181995348 /nfs/dbraw/zinc/99/53/48/1181995348.db2.gz GFKDQHLYXKOAGL-UHFFFAOYSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001725597246 1182069047 /nfs/dbraw/zinc/06/90/47/1182069047.db2.gz RYDQYOYPKNAUPE-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001725655139 1182088211 /nfs/dbraw/zinc/08/82/11/1182088211.db2.gz KPCGQXWVNOPEIU-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001725729316 1182114306 /nfs/dbraw/zinc/11/43/06/1182114306.db2.gz VOBGDOOIKHDSMR-HZPDHXFCSA-N 2 0 293.455 1.519 10 30 CDEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001725788300 1182131683 /nfs/dbraw/zinc/13/16/83/1182131683.db2.gz XLGMFLJCJCJGQY-UHFFFAOYSA-N 2 0 291.439 1.627 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001731436431 1182382893 /nfs/dbraw/zinc/38/28/93/1182382893.db2.gz QUDUWOHPCKCDSE-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001731496938 1182420823 /nfs/dbraw/zinc/42/08/23/1182420823.db2.gz FQXAUJITIHBOQI-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001731686111 1182518423 /nfs/dbraw/zinc/51/84/23/1182518423.db2.gz PPEGKDRZNHHXJN-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001731693847 1182520664 /nfs/dbraw/zinc/52/06/64/1182520664.db2.gz GGAPJHSORGCFQO-HOTGVXAUSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001732048864 1182738303 /nfs/dbraw/zinc/73/83/03/1182738303.db2.gz LCNREPPZWBBHNA-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001732164656 1182826640 /nfs/dbraw/zinc/82/66/40/1182826640.db2.gz GFACBFBJSCMLOX-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001732426965 1182960323 /nfs/dbraw/zinc/96/03/23/1182960323.db2.gz FPAXFCLZMWXMHK-ZDUSSCGKSA-N 2 0 298.390 1.716 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001733351773 1183406554 /nfs/dbraw/zinc/40/65/54/1183406554.db2.gz FJXQTZSLIWBXAV-AWEZNQCLSA-N 2 0 277.412 1.239 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733533314 1183458804 /nfs/dbraw/zinc/45/88/04/1183458804.db2.gz KBQYKUHVHJDQKI-CVEARBPZSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]2C1 ZINC001733581629 1183471184 /nfs/dbraw/zinc/47/11/84/1183471184.db2.gz RMFWSBNQDHTIPO-IYBDPMFKSA-N 2 0 291.439 1.132 10 30 CDEERP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001734037865 1183628403 /nfs/dbraw/zinc/62/84/03/1183628403.db2.gz JDFFUJJTFLIGKA-RRFJBIMHSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001734118816 1183665632 /nfs/dbraw/zinc/66/56/32/1183665632.db2.gz APNPWSARJHBBFZ-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001734498973 1183800826 /nfs/dbraw/zinc/80/08/26/1183800826.db2.gz AGHHBVKGJTXLOL-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CONC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000854216714 828425669 /nfs/dbraw/zinc/42/56/69/828425669.db2.gz DCNRIODVJVAXJA-ZDUSSCGKSA-N 2 0 286.420 1.065 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC001138039808 1167033934 /nfs/dbraw/zinc/03/39/34/1167033934.db2.gz SKAULTQSOWLFDB-OAHLLOKOSA-N 2 0 279.428 1.295 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876956440 828476637 /nfs/dbraw/zinc/47/66/37/828476637.db2.gz KDXXUPZWBADKIJ-NWDGAFQWSA-N 2 0 287.835 1.693 10 30 CDEERP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]([NH3+])CCCCC#N ZINC000720886443 824099936 /nfs/dbraw/zinc/09/99/36/824099936.db2.gz GTFUDZOXCSDHJW-MGPQQGTHSA-N 2 0 278.400 1.093 10 30 CDEERP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000305213340 828632852 /nfs/dbraw/zinc/63/28/52/828632852.db2.gz QJJIYHZXDNKZBB-GFCCVEGCSA-N 2 0 252.406 1.421 10 30 CDEERP CC[NH+]=C(NCC1(O)CCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000262017996 824842535 /nfs/dbraw/zinc/84/25/35/824842535.db2.gz YFWNXEHMRKTHFK-ZIAGYGMSSA-N 2 0 296.459 1.185 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928079493 825178136 /nfs/dbraw/zinc/17/81/36/825178136.db2.gz ZCHACCSENWMPBL-KGLIPLIRSA-N 2 0 297.468 1.190 10 30 CDEERP C#CCCCC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000855346769 825193790 /nfs/dbraw/zinc/19/37/90/825193790.db2.gz LWUDZWLWNWDQOD-AWEZNQCLSA-N 2 0 267.417 1.178 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000852863587 825389894 /nfs/dbraw/zinc/38/98/94/825389894.db2.gz WZCWBCWTBGWLRB-MRXNPFEDSA-N 2 0 289.423 1.076 10 30 CDEERP C#CC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000829775232 825681382 /nfs/dbraw/zinc/68/13/82/825681382.db2.gz ZQBAOSFMBROWCY-GJZGRUSLSA-N 2 0 250.386 1.178 10 30 CDEERP C[C@@H]1CCC[C@@](CNC(=[NH2+])NC[C@@H]2CCCO2)([NH+](C)C)C1 ZINC000066245700 825686450 /nfs/dbraw/zinc/68/64/50/825686450.db2.gz PIHBGJCDFLIXPR-IJEWVQPXSA-N 2 0 296.459 1.580 10 30 CDEERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852869769 828816595 /nfs/dbraw/zinc/81/65/95/828816595.db2.gz LHVMUPBSOOLVRF-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000876749657 825807252 /nfs/dbraw/zinc/80/72/52/825807252.db2.gz CBCLAQPYBYXHCX-FRRDWIJNSA-N 2 0 287.835 1.835 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CCC[NH2+]1 ZINC000877248954 826012142 /nfs/dbraw/zinc/01/21/42/826012142.db2.gz GMAGLSMBVURMGP-IJEWVQPXSA-N 2 0 277.412 1.237 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876753972 826037547 /nfs/dbraw/zinc/03/75/47/826037547.db2.gz AFBKAGQNGBDRKO-STQMWFEESA-N 2 0 265.401 1.126 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CCC[NH2+]1 ZINC000877339465 826042194 /nfs/dbraw/zinc/04/21/94/826042194.db2.gz ANPKQNBTVFGRCP-SJLPKXTDSA-N 2 0 299.418 1.515 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000876773747 827523795 /nfs/dbraw/zinc/52/37/95/827523795.db2.gz XAIVGXUSVJIOOK-QWHCGFSZSA-N 2 0 287.835 1.647 10 30 CDEERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCNc1ccc(C#N)cn1 ZINC000927167018 827814419 /nfs/dbraw/zinc/81/44/19/827814419.db2.gz FHPSTEKTSGHXMO-MZBDJJRSSA-N 2 0 285.395 1.295 10 30 CDEERP C=C[C@@H](C)ONC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000854220500 827925421 /nfs/dbraw/zinc/92/54/21/827925421.db2.gz UWYRCNBVSKJCJW-QWHCGFSZSA-N 2 0 286.420 1.064 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001565851588 1168185261 /nfs/dbraw/zinc/18/52/61/1168185261.db2.gz HFOPNDPGFJOWAI-ZNMIVQPWSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001567411882 1168743511 /nfs/dbraw/zinc/74/35/11/1168743511.db2.gz QUBMESNZJACMQX-LSDHHAIUSA-N 2 0 279.428 1.034 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001266440022 894907508 /nfs/dbraw/zinc/90/75/08/894907508.db2.gz CUVRXGCHIZDRIY-GASCZTMLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266635016 895647083 /nfs/dbraw/zinc/64/70/83/895647083.db2.gz PFRXZCJYIKBYLI-KKUMJFAQSA-N 2 0 281.444 1.776 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267595359 898645795 /nfs/dbraw/zinc/64/57/95/898645795.db2.gz HTBXZNBUHSBMQA-JKSUJKDBSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267596334 898652365 /nfs/dbraw/zinc/65/23/65/898652365.db2.gz YHYOIBVACMNYNS-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001481122822 898935592 /nfs/dbraw/zinc/93/55/92/898935592.db2.gz LTNBOMGDWIRHEX-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001481461730 900770064 /nfs/dbraw/zinc/77/00/64/900770064.db2.gz HTDBTSDHNWLPQS-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268537778 902530317 /nfs/dbraw/zinc/53/03/17/902530317.db2.gz DCSRCDYYLOQVFY-SREVYHEPSA-N 2 0 279.428 1.699 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269135592 903464389 /nfs/dbraw/zinc/46/43/89/903464389.db2.gz NSQWSSMPFCUIAG-CQSZACIVSA-N 2 0 277.412 1.143 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001269475533 903842509 /nfs/dbraw/zinc/84/25/09/903842509.db2.gz NXHMNUQJXQATEI-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C#CC[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001270042191 904304781 /nfs/dbraw/zinc/30/47/81/904304781.db2.gz OEPCSYMCQNJTIX-WKILWMFISA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC001270431883 904632175 /nfs/dbraw/zinc/63/21/75/904632175.db2.gz QGXUFXORBWGMMS-GDBMZVCRSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001270784548 905039489 /nfs/dbraw/zinc/03/94/89/905039489.db2.gz CLDBHQVUYAICEW-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001482353235 905175035 /nfs/dbraw/zinc/17/50/35/905175035.db2.gz FZTJDWISUVBPJX-CHWSQXEVSA-N 2 0 255.406 1.339 10 30 CDEERP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001270940711 905473510 /nfs/dbraw/zinc/47/35/10/905473510.db2.gz OALABTUEJDNNGN-DOTOQJQBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001271216881 906185958 /nfs/dbraw/zinc/18/59/58/906185958.db2.gz QTQPJDZDQKZVKK-AWEZNQCLSA-N 2 0 289.423 1.984 10 30 CDEERP CC#CC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]21 ZINC001482668118 908169565 /nfs/dbraw/zinc/16/95/65/908169565.db2.gz VBGBIZPMJJWEOD-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]21 ZINC001482668115 908170198 /nfs/dbraw/zinc/17/01/98/908170198.db2.gz VBGBIZPMJJWEOD-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001505833991 908308532 /nfs/dbraw/zinc/30/85/32/908308532.db2.gz YDMVJMDCZAOTEH-OAHLLOKOSA-N 2 0 293.455 1.426 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001483442103 911122204 /nfs/dbraw/zinc/12/22/04/911122204.db2.gz MPWCHRDYLVEYJX-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001568153000 1169150313 /nfs/dbraw/zinc/15/03/13/1169150313.db2.gz DGFDJKOWLOQOIM-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001484070226 915383907 /nfs/dbraw/zinc/38/39/07/915383907.db2.gz DGQBEYGEIZBKOG-QGZVFWFLSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484176618 915491994 /nfs/dbraw/zinc/49/19/94/915491994.db2.gz VVXGBBSJYXLQBS-RDJZCZTQSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)c1cccc2nccn21 ZINC001484752354 916138025 /nfs/dbraw/zinc/13/80/25/916138025.db2.gz XIOHEKQKPXZLBV-UHFFFAOYSA-N 2 0 286.379 1.914 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001568192441 1169170612 /nfs/dbraw/zinc/17/06/12/1169170612.db2.gz WPHJLXWTFHHIIV-CABCVRRESA-N 2 0 279.428 1.084 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001485067986 916449381 /nfs/dbraw/zinc/44/93/81/916449381.db2.gz YSVGZUBIIVOJBV-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCCC1 ZINC001568246882 1169195284 /nfs/dbraw/zinc/19/52/84/1169195284.db2.gz WOJCKMARMRTTLV-UHFFFAOYSA-N 2 0 291.439 1.514 10 30 CDEERP C=C(C)C[C@@H](CO)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001183509945 918513979 /nfs/dbraw/zinc/51/39/79/918513979.db2.gz BAVXSNFOCPTGRB-CGZBRXJRSA-N 2 0 296.455 1.937 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001486092866 920692189 /nfs/dbraw/zinc/69/21/89/920692189.db2.gz IEZPKLLFNVROCU-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001486441674 921023012 /nfs/dbraw/zinc/02/30/12/921023012.db2.gz VJDMINXLDXTIGV-HIFRSBDPSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001491153407 936865930 /nfs/dbraw/zinc/86/59/30/936865930.db2.gz KVPBYORJQWWASC-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001568367651 1169262635 /nfs/dbraw/zinc/26/26/35/1169262635.db2.gz IDRRZYCAMNULOQ-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001491472350 936921655 /nfs/dbraw/zinc/92/16/55/936921655.db2.gz BRJQUINTLOCDCK-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001488664712 926643187 /nfs/dbraw/zinc/64/31/87/926643187.db2.gz VGIZJGQATYNRSB-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001495298767 926962850 /nfs/dbraw/zinc/96/28/50/926962850.db2.gz KGVYHIDCHVRKHY-WMLDXEAASA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001274411996 931498041 /nfs/dbraw/zinc/49/80/41/931498041.db2.gz BYQWGOIXDFOORF-XITLMJRVSA-N 2 0 291.439 1.536 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001274578134 931510296 /nfs/dbraw/zinc/51/02/96/931510296.db2.gz FLFAHZYFGDOPAR-NSCUHMNNSA-N 2 0 271.792 1.097 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001276258567 932694292 /nfs/dbraw/zinc/69/42/92/932694292.db2.gz JQKPPSXXQWUYKS-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)C1CC[NH+](C)CC1 ZINC001276261855 932695890 /nfs/dbraw/zinc/69/58/90/932695890.db2.gz OWBOKOUMKZXCJG-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP C[C@H](NC[C@H](O)CC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119732563 937752189 /nfs/dbraw/zinc/75/21/89/937752189.db2.gz MTSFHWPWQRVBAT-GZBFAFLISA-N 2 0 265.401 1.504 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001568674297 1169424994 /nfs/dbraw/zinc/42/49/94/1169424994.db2.gz KADHANZWDMKAIZ-CHWSQXEVSA-N 2 0 289.851 1.810 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001277053741 941877772 /nfs/dbraw/zinc/87/77/72/941877772.db2.gz SPBCOLVIAFOGKQ-WKILWMFISA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001280884272 942501975 /nfs/dbraw/zinc/50/19/75/942501975.db2.gz XXLSAETUADACHF-HUUCEWRRSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001282461133 942716616 /nfs/dbraw/zinc/71/66/16/942716616.db2.gz KFIALMNJLAFDQM-STQMWFEESA-N 2 0 255.406 1.339 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]C(C)C ZINC001283188106 942849797 /nfs/dbraw/zinc/84/97/97/942849797.db2.gz DFTOYWDCXSAGGW-CABCVRRESA-N 2 0 279.428 1.367 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283220477 942859995 /nfs/dbraw/zinc/85/99/95/942859995.db2.gz BPOHXYDLPUNIGU-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001277686744 943335557 /nfs/dbraw/zinc/33/55/57/943335557.db2.gz QUHAQJDWRBLOSJ-ZFWWWQNUSA-N 2 0 281.444 1.824 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1CC ZINC001264054215 944071899 /nfs/dbraw/zinc/07/18/99/944071899.db2.gz DRYTVKGVBIXTJN-SOUVJXGZSA-N 2 0 297.418 1.269 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001265095256 944227411 /nfs/dbraw/zinc/22/74/11/944227411.db2.gz SCDBHFRSMHZGHF-HUUCEWRRSA-N 2 0 279.428 1.319 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C[C@H](F)CC)CC1 ZINC001265869899 944550293 /nfs/dbraw/zinc/55/02/93/944550293.db2.gz FBCGBAUCADEWTH-DZGCQCFKSA-N 2 0 297.418 1.174 10 30 CDEERP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001266189477 944743457 /nfs/dbraw/zinc/74/34/57/944743457.db2.gz FLYMMGSCQCOQTN-MRXNPFEDSA-N 2 0 293.455 1.519 10 30 CDEERP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001266234235 944774272 /nfs/dbraw/zinc/77/42/72/944774272.db2.gz ABICVKMCBNDGRT-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001278324092 946152350 /nfs/dbraw/zinc/15/23/50/946152350.db2.gz CICQKHNLSJXSCC-CHWSQXEVSA-N 2 0 253.390 1.092 10 30 CDEERP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001479271915 971281515 /nfs/dbraw/zinc/28/15/15/971281515.db2.gz QTUHRKZHZSYSRR-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001479831273 971439394 /nfs/dbraw/zinc/43/93/94/971439394.db2.gz DKWBQORDFKYYQG-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001278929753 948272171 /nfs/dbraw/zinc/27/21/71/948272171.db2.gz KULTVODVYMUJGC-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001278459804 948383495 /nfs/dbraw/zinc/38/34/95/948383495.db2.gz OHOCCMMLRZCJIH-ZBFHGGJFSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001279005772 948562185 /nfs/dbraw/zinc/56/21/85/948562185.db2.gz DWXXSSQKQNJLOG-KGLIPLIRSA-N 2 0 290.411 1.745 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001279005771 948562248 /nfs/dbraw/zinc/56/22/48/948562248.db2.gz DWXXSSQKQNJLOG-KBPBESRZSA-N 2 0 290.411 1.745 10 30 CDEERP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480187797 971617365 /nfs/dbraw/zinc/61/73/65/971617365.db2.gz DRMYNYZSDSSRNN-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001480220021 971634752 /nfs/dbraw/zinc/63/47/52/971634752.db2.gz HGRMJGBHAZNJOB-CALCHBBNSA-N 2 0 299.418 1.227 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001480368284 971690250 /nfs/dbraw/zinc/69/02/50/971690250.db2.gz XHJLQERPQOLWRM-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCC1 ZINC001324481263 953409330 /nfs/dbraw/zinc/40/93/30/953409330.db2.gz FAZYOZMCKGCXGR-CVEARBPZSA-N 2 0 293.455 1.470 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001326351057 954333547 /nfs/dbraw/zinc/33/35/47/954333547.db2.gz DMSVXSOOOSZPRP-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001493376387 972036049 /nfs/dbraw/zinc/03/60/49/972036049.db2.gz BCPCBWCOGJEQIP-UHFFFAOYSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001491858208 955471202 /nfs/dbraw/zinc/47/12/02/955471202.db2.gz CSSGVOFEBBHSPT-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001328869582 955526596 /nfs/dbraw/zinc/52/65/96/955526596.db2.gz SBWOTYYTVWMDQU-GPANFISMSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001329084396 955674755 /nfs/dbraw/zinc/67/47/55/955674755.db2.gz DSXBIOCUSAIUGI-STQMWFEESA-N 2 0 299.378 1.550 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCC)CC1 ZINC001329202101 955753052 /nfs/dbraw/zinc/75/30/52/955753052.db2.gz HYSCLEGSHBTXGR-UONOGXRCSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001329460659 955928840 /nfs/dbraw/zinc/92/88/40/955928840.db2.gz RFVDVDIPCPLBLN-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001317221885 955928885 /nfs/dbraw/zinc/92/88/85/955928885.db2.gz SADJDXBUFDPZJX-FHERZECASA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001493978800 972150434 /nfs/dbraw/zinc/15/04/34/972150434.db2.gz UFEOIIJKUYMPIN-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)C12CC[NH+](CC1)C2 ZINC001329892160 956166878 /nfs/dbraw/zinc/16/68/78/956166878.db2.gz JDHUHPNSAWLMEE-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001330613226 956514983 /nfs/dbraw/zinc/51/49/83/956514983.db2.gz LCJSCXXRCHKLLX-VGWMRTNUSA-N 2 0 291.439 1.674 10 30 CDEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001330685698 956564482 /nfs/dbraw/zinc/56/44/82/956564482.db2.gz AFXZJQOJRQXVPL-JYJNAYRXSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317058255 956943228 /nfs/dbraw/zinc/94/32/28/956943228.db2.gz WKNGIKSEUIHEFV-HRCADAONSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001331470922 957087804 /nfs/dbraw/zinc/08/78/04/957087804.db2.gz VEOWTRBGHVEUQU-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001331898296 957322101 /nfs/dbraw/zinc/32/21/01/957322101.db2.gz VPHZJNAWUDAWDQ-UKRRQHHQSA-N 2 0 277.412 1.073 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001331920046 957336993 /nfs/dbraw/zinc/33/69/93/957336993.db2.gz UQPPIEOJWJNMKX-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001317272614 957396397 /nfs/dbraw/zinc/39/63/97/957396397.db2.gz ZSKURMUAQZLIGI-CHWSQXEVSA-N 2 0 278.400 1.649 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317366469 957438455 /nfs/dbraw/zinc/43/84/55/957438455.db2.gz QMZFRUQWDONRRY-UONOGXRCSA-N 2 0 267.417 1.530 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317506207 957518305 /nfs/dbraw/zinc/51/83/05/957518305.db2.gz XKJGWQGNVDCCDE-BZUAXINKSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001317517574 957526208 /nfs/dbraw/zinc/52/62/08/957526208.db2.gz SLQOJEODOTYWPD-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001425683327 957599375 /nfs/dbraw/zinc/59/93/75/957599375.db2.gz NJHRKBHBMCQFHV-RYUDHWBXSA-N 2 0 273.808 1.127 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001317673343 957633404 /nfs/dbraw/zinc/63/34/04/957633404.db2.gz BZBAHIJPBSZZMJ-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[N@@H+](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001492483973 957706021 /nfs/dbraw/zinc/70/60/21/957706021.db2.gz FNKLVKZASYEQER-UHFFFAOYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001318129041 957937000 /nfs/dbraw/zinc/93/70/00/957937000.db2.gz FVWOQRUIEIRJLH-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001318282187 958016720 /nfs/dbraw/zinc/01/67/20/958016720.db2.gz VOQIUVBPWPQAFA-KKUMJFAQSA-N 2 0 281.444 1.872 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001319788129 958727654 /nfs/dbraw/zinc/72/76/54/958727654.db2.gz LSWJKTSMEIWOFT-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320737310 959359876 /nfs/dbraw/zinc/35/98/76/959359876.db2.gz LLCUXOYEIODBGJ-OAHLLOKOSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001321083388 959581764 /nfs/dbraw/zinc/58/17/64/959581764.db2.gz IWLKYDIIWPINFV-IDTUSYRASA-N 2 0 277.412 1.146 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001321514635 959830715 /nfs/dbraw/zinc/83/07/15/959830715.db2.gz YOHJTAQMSGJVOL-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001323107302 960456885 /nfs/dbraw/zinc/45/68/85/960456885.db2.gz ADMOGTDHWGLJQR-CABCVRRESA-N 2 0 279.428 1.389 10 30 CDEERP C#CCCOC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001561073973 961070730 /nfs/dbraw/zinc/07/07/30/961070730.db2.gz YFGAQPCVQSGUOW-UHFFFAOYSA-N 2 0 283.416 1.352 10 30 CDEERP C=CC[C@@]1(C(=O)N(C)CC(C)(C)C[NH+](C)C)CCC[NH2+]1 ZINC001341606726 963480044 /nfs/dbraw/zinc/48/00/44/963480044.db2.gz GETPMNIHZXAXHF-INIZCTEOSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439781751 963857744 /nfs/dbraw/zinc/85/77/44/963857744.db2.gz CTUGBQPFMUQZSK-OLZOCXBDSA-N 2 0 285.819 1.271 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001544078244 967335094 /nfs/dbraw/zinc/33/50/94/967335094.db2.gz DPVQKLDJQQTRFM-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001355391299 969142773 /nfs/dbraw/zinc/14/27/73/969142773.db2.gz WSRXDHDJRZRWAG-NFAWXSAZSA-N 2 0 265.401 1.080 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001515597359 969904633 /nfs/dbraw/zinc/90/46/33/969904633.db2.gz DFTORSIQBNBQHZ-XDQVBPFNSA-N 2 0 265.401 1.126 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001467728545 970095507 /nfs/dbraw/zinc/09/55/07/970095507.db2.gz KVKAGJYJDPBVFP-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001495884312 972684629 /nfs/dbraw/zinc/68/46/29/972684629.db2.gz LMNWZTDIHKALCG-HNNXBMFYSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001497676079 973461537 /nfs/dbraw/zinc/46/15/37/973461537.db2.gz WXUJEQIBRCLZPH-PLNGDYQASA-N 2 0 279.428 1.556 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001497827721 973538913 /nfs/dbraw/zinc/53/89/13/973538913.db2.gz OTYXDVIIVOOFDF-GFCCVEGCSA-N 2 0 253.390 1.141 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001498064508 973655714 /nfs/dbraw/zinc/65/57/14/973655714.db2.gz WBKKKIUTZXMHNO-LBPRGKRZSA-N 2 0 284.363 1.374 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498282610 973806671 /nfs/dbraw/zinc/80/66/71/973806671.db2.gz KJCJAVNBLKUNBA-UKRRQHHQSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001498659544 974013082 /nfs/dbraw/zinc/01/30/82/974013082.db2.gz ZVZOBVRMANHJAI-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001498808667 974068710 /nfs/dbraw/zinc/06/87/10/974068710.db2.gz XDXACQBWEZXAEH-HOTGVXAUSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH+]1CCC(C)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001499994137 974350934 /nfs/dbraw/zinc/35/09/34/974350934.db2.gz KDARKZDJLLBZKE-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500281255 974413849 /nfs/dbraw/zinc/41/38/49/974413849.db2.gz SVQVYNOMFLNSSH-RDJZCZTQSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001500396337 974430747 /nfs/dbraw/zinc/43/07/47/974430747.db2.gz ASNZRSYISWADBR-INIZCTEOSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001501083404 974529169 /nfs/dbraw/zinc/52/91/69/974529169.db2.gz IAHHCIUNYJTZNJ-CABCVRRESA-N 2 0 291.439 1.485 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCF)CC1 ZINC001505760787 974985006 /nfs/dbraw/zinc/98/50/06/974985006.db2.gz OZUAKIPYDPYURK-KGLIPLIRSA-N 2 0 297.418 1.174 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001505940087 975052951 /nfs/dbraw/zinc/05/29/51/975052951.db2.gz VMBYQYYQKGSLEH-KBPBESRZSA-N 2 0 269.433 1.585 10 30 CDEERP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001506616421 975189743 /nfs/dbraw/zinc/18/97/43/975189743.db2.gz MWHIJKKRXRXERC-HIFRSBDPSA-N 2 0 297.418 1.126 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001507113306 975342288 /nfs/dbraw/zinc/34/22/88/975342288.db2.gz JWORLTLCASKVFR-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001507131520 975347812 /nfs/dbraw/zinc/34/78/12/975347812.db2.gz SHLZYVLKCAGKHX-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001507289609 975400610 /nfs/dbraw/zinc/40/06/10/975400610.db2.gz SLPOGYYKWOJABG-ZIAGYGMSSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001507317469 975413390 /nfs/dbraw/zinc/41/33/90/975413390.db2.gz GZTBNWKLVVPZOH-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001507398293 975452124 /nfs/dbraw/zinc/45/21/24/975452124.db2.gz ISOVOJGKZPEEPE-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001378770349 975487424 /nfs/dbraw/zinc/48/74/24/975487424.db2.gz AYSHBKBXUPWTBZ-JSGCOSHPSA-N 2 0 299.846 1.517 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001507963119 975569448 /nfs/dbraw/zinc/56/94/48/975569448.db2.gz GMZDZLJPAOPARQ-KGLIPLIRSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001406781084 976405697 /nfs/dbraw/zinc/40/56/97/976405697.db2.gz FECTYEKFEZPZKK-ZDUSSCGKSA-N 2 0 285.819 1.319 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001674233528 1173926451 /nfs/dbraw/zinc/92/64/51/1173926451.db2.gz RJQUBSMNTJTTBG-BBRMVZONSA-N 2 0 297.418 1.317 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001675828152 1174152802 /nfs/dbraw/zinc/15/28/02/1174152802.db2.gz XCSHGYMRDUIFTL-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001676756074 1174267339 /nfs/dbraw/zinc/26/73/39/1174267339.db2.gz PKVHETHWLLXRDT-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001677033320 1174309334 /nfs/dbraw/zinc/30/93/34/1174309334.db2.gz XETRJAYOIKICFJ-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001570854389 1170303147 /nfs/dbraw/zinc/30/31/47/1170303147.db2.gz VYNXTLWGKGAJHV-HIFRSBDPSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000651706481 398155959 /nfs/dbraw/zinc/15/59/59/398155959.db2.gz CBTALJXHVIVTDE-ARFHVFGLSA-N 2 0 265.445 1.957 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000594440772 342907346 /nfs/dbraw/zinc/90/73/46/342907346.db2.gz BTFPBPMCBALEAV-OAHLLOKOSA-N 2 0 286.379 1.317 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000594443627 342908202 /nfs/dbraw/zinc/90/82/02/342908202.db2.gz GDUXMGOHELVYGD-LSDHHAIUSA-N 2 0 292.427 1.246 10 30 CDEERP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594444842 342908463 /nfs/dbraw/zinc/90/84/63/342908463.db2.gz ZCRCTVMMZUHIPX-RYUDHWBXSA-N 2 0 254.378 1.031 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000594452246 342910341 /nfs/dbraw/zinc/91/03/41/342910341.db2.gz GDZGIRXXRXKESG-OWYJLGKBSA-N 2 0 278.400 1.128 10 30 CDEERP CC[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600715132 342246456 /nfs/dbraw/zinc/24/64/56/342246456.db2.gz RPWXIDAYJGFNHX-OAHLLOKOSA-N 2 0 295.427 1.132 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001660330706 1172198032 /nfs/dbraw/zinc/19/80/32/1172198032.db2.gz WHOHLMUZMMYQIU-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001660529422 1172229674 /nfs/dbraw/zinc/22/96/74/1172229674.db2.gz VTMZOWVHNHPCAZ-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000594436316 358624582 /nfs/dbraw/zinc/62/45/82/358624582.db2.gz DBAWWIWMPYCKQS-UONOGXRCSA-N 2 0 278.400 1.093 10 30 CDEERP C[C@H]1CC[N@H+](CC(=O)N(CCC#N)CCC[NH+](C)C)C1 ZINC000566923464 370837252 /nfs/dbraw/zinc/83/72/52/370837252.db2.gz KRTOXBNBWKIFRA-AWEZNQCLSA-N 2 0 280.416 1.022 10 30 CDEERP C[NH+]1CCC(C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123639447 374579100 /nfs/dbraw/zinc/57/91/00/374579100.db2.gz JGDYRFWNIJWHQF-UHFFFAOYSA-N 2 0 283.379 1.637 10 30 CDEERP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001662791915 1172593724 /nfs/dbraw/zinc/59/37/24/1172593724.db2.gz SSXKOCIYOWLVPX-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP N#CCN1CCN(Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346178311 391335785 /nfs/dbraw/zinc/33/57/85/391335785.db2.gz PLGXBRGOONCETD-UHFFFAOYSA-N 2 0 287.392 1.575 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001663638451 1172737551 /nfs/dbraw/zinc/73/75/51/1172737551.db2.gz GOBXXOFCTOYLKW-AWEZNQCLSA-N 2 0 265.401 1.096 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001664836207 1172918881 /nfs/dbraw/zinc/91/88/81/1172918881.db2.gz QPWMHBHLAPUUST-CVEARBPZSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC([NH+](C)C)CC2)CCC[NH2+]1 ZINC000662757580 413442290 /nfs/dbraw/zinc/44/22/90/413442290.db2.gz NYMLEYUFIHTXLO-OAHLLOKOSA-N 2 0 265.401 1.237 10 30 CDEERP CC[NH+](CC)CC#C[C@H](C[NH+]1CCCC1)N1CCCC1 ZINC000022035596 171350009 /nfs/dbraw/zinc/35/00/09/171350009.db2.gz DKMIWYRCPXRAJT-QGZVFWFLSA-N 2 0 277.456 1.892 10 30 CDEERP C=CC[C@]1(C(=O)NCCC[N@@H+](C)CC(C)C)CCC[NH2+]1 ZINC000662826727 413557659 /nfs/dbraw/zinc/55/76/59/413557659.db2.gz BSFCKCQXRIPKIX-MRXNPFEDSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[C@@]1(C(=O)NCc2ccc(C[NH3+])cc2F)CCC[NH2+]1 ZINC000662829926 413561297 /nfs/dbraw/zinc/56/12/97/413561297.db2.gz PRQVBJHPEMSYIM-INIZCTEOSA-N 2 0 291.370 1.599 10 30 CDEERP C#CCN1CCC([NH2+]CCC[NH+](CC)CC)CC1 ZINC000037210993 173032453 /nfs/dbraw/zinc/03/24/53/173032453.db2.gz NUUYGZSDZYHUJI-UHFFFAOYSA-N 2 0 251.418 1.406 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000043427214 175040602 /nfs/dbraw/zinc/04/06/02/175040602.db2.gz LPYVZNWYAGHFKL-IRXDYDNUSA-N 2 0 270.376 1.750 10 30 CDEERP C[N@H+](Cc1sccc1C#CC[NH3+])[C@@H]1CCSC1 ZINC000043683653 175092364 /nfs/dbraw/zinc/09/23/64/175092364.db2.gz QEEWXMYBLFZUEZ-GFCCVEGCSA-N 2 0 266.435 1.996 10 30 CDEERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc(C#CC[NH3+])c1 ZINC000071192979 176074876 /nfs/dbraw/zinc/07/48/76/176074876.db2.gz XDYIDBCSTFOGJT-HNNXBMFYSA-N 2 0 285.391 1.021 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001665856617 1173075167 /nfs/dbraw/zinc/07/51/67/1173075167.db2.gz QPNPCMMKTNXBNR-CVEARBPZSA-N 2 0 293.455 1.759 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CCCC1 ZINC001666804742 1173187507 /nfs/dbraw/zinc/18/75/07/1173187507.db2.gz NXBUCUYNNNWBHX-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP C=C(C)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119512365 267344074 /nfs/dbraw/zinc/34/40/74/267344074.db2.gz SEBUESAVYPBTHK-XYPWUTKMSA-N 2 0 263.429 1.805 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001669207354 1173516771 /nfs/dbraw/zinc/51/67/71/1173516771.db2.gz LYKDYVWOSNAVIF-WLMCBFPDSA-N 2 0 293.455 1.945 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001669966887 1173637662 /nfs/dbraw/zinc/63/76/62/1173637662.db2.gz DXCTWTCUANVGHY-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001671342128 1173677881 /nfs/dbraw/zinc/67/78/81/1173677881.db2.gz BIHVKHHELHSONE-AWEZNQCLSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001671915973 1173721811 /nfs/dbraw/zinc/72/18/11/1173721811.db2.gz CFBCYGUMPHWQRL-WBVHZDCISA-N 2 0 291.439 1.180 10 30 CDEERP C[C@@H]1CN(C(=[NH2+])NCC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000262431025 330010162 /nfs/dbraw/zinc/01/01/62/330010162.db2.gz DZSOJZUSJKMJQJ-CYBMUJFWSA-N 2 0 282.432 1.144 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC12CCOCC2 ZINC000262852469 330035475 /nfs/dbraw/zinc/03/54/75/330035475.db2.gz XETGDPHGDDHXPA-KBPBESRZSA-N 2 0 294.443 1.192 10 30 CDEERP CNC(=[NH2+])N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000270131098 330073898 /nfs/dbraw/zinc/07/38/98/330073898.db2.gz PAZWSEFJPGEPJO-GXTWGEPZSA-N 2 0 260.385 1.574 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267628537 1159550066 /nfs/dbraw/zinc/55/00/66/1159550066.db2.gz ZSPPFGGKJDDRMJ-LSDHHAIUSA-N 2 0 299.434 1.823 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482354207 1160169662 /nfs/dbraw/zinc/16/96/62/1160169662.db2.gz PDFDSWGVDCYFLO-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270913502 1160228377 /nfs/dbraw/zinc/22/83/77/1160228377.db2.gz JXJWMNDNFSOLDF-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001733336176 1161238072 /nfs/dbraw/zinc/23/80/72/1161238072.db2.gz RIFILJVAFQNXMO-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001714618394 1179271018 /nfs/dbraw/zinc/27/10/18/1179271018.db2.gz LTZQZBCRBFRKKD-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP COc1ccc(C[NH+]2CCCCC2)cc1C#CC[NH3+] ZINC000049608671 524025909 /nfs/dbraw/zinc/02/59/09/524025909.db2.gz LWQOZXHQINHYNC-UHFFFAOYSA-N 2 0 258.365 1.991 10 30 CDEERP [NH3+]CC#Cc1ccc(OCC[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000049608318 527151465 /nfs/dbraw/zinc/15/14/65/527151465.db2.gz XGWRTDPICNPRBZ-INIZCTEOSA-N 2 0 288.391 1.080 10 30 CDEERP [NH3+]CC#Cc1cccc(OCCC[NH+]2CCCC2)c1 ZINC000049334060 527153046 /nfs/dbraw/zinc/15/30/46/527153046.db2.gz UGUJPYNRILSUJC-UHFFFAOYSA-N 2 0 258.365 1.862 10 30 CDEERP Nc1cc(N)[nH+]c(SCc2ccccc2C#CC[NH3+])n1 ZINC000049612898 527154438 /nfs/dbraw/zinc/15/44/38/527154438.db2.gz DGNRUFODBBPGDB-UHFFFAOYSA-N 2 0 285.376 1.244 10 30 CDEERP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001689021611 1175084630 /nfs/dbraw/zinc/08/46/30/1175084630.db2.gz BAZGHZLJLQZQAT-JKSUJKDBSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001690197141 1175402920 /nfs/dbraw/zinc/40/29/20/1175402920.db2.gz HJISORNWMGNNKS-OAHLLOKOSA-N 2 0 279.428 1.132 10 30 CDEERP CC[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1CCC[N@@H+]1C ZINC000157584511 617228873 /nfs/dbraw/zinc/22/88/73/617228873.db2.gz KXFBYOAFQDFICG-ZDUSSCGKSA-N 2 0 293.415 1.441 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940618193 613581248 /nfs/dbraw/zinc/58/12/48/613581248.db2.gz QBHOGRPJCCIVSF-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP CNC(NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)=[NH+]C ZINC000153556369 631696218 /nfs/dbraw/zinc/69/62/18/631696218.db2.gz NBAHOOATWJWPLG-MRXNPFEDSA-N 2 0 274.412 1.836 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)CCCC)CC1 ZINC000918209606 632342816 /nfs/dbraw/zinc/34/28/16/632342816.db2.gz PGBNERCXQPHROS-UHFFFAOYSA-N 2 0 294.443 1.115 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC001691052178 1158840819 /nfs/dbraw/zinc/84/08/19/1158840819.db2.gz HXDFFHKXFHUXNG-UHFFFAOYSA-N 2 0 253.390 1.096 10 30 CDEERP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691409400 1159056532 /nfs/dbraw/zinc/05/65/32/1159056532.db2.gz DGPQBWNXJSCQKO-UONOGXRCSA-N 2 0 265.401 1.047 10 30 CDEERP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001691170499 1158943026 /nfs/dbraw/zinc/94/30/26/1158943026.db2.gz CNQMSXWPUCASPN-HZPDHXFCSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001268563827 1159971613 /nfs/dbraw/zinc/97/16/13/1159971613.db2.gz RAYOBWMTOHPEJE-NSCUHMNNSA-N 2 0 297.830 1.629 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CCCC1 ZINC001732395079 1160569442 /nfs/dbraw/zinc/56/94/42/1160569442.db2.gz WNQHFGGGCXGKBL-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001272344318 1161080215 /nfs/dbraw/zinc/08/02/15/1161080215.db2.gz SRBTZBRGKKRXQW-JKSUJKDBSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001567128527 1168576594 /nfs/dbraw/zinc/57/65/94/1168576594.db2.gz PCOQNVJORVFWDB-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567412276 1168744250 /nfs/dbraw/zinc/74/42/50/1168744250.db2.gz ZLTSLNWIYXVXHE-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001568281204 1169221653 /nfs/dbraw/zinc/22/16/53/1169221653.db2.gz LGJISIKSUSBHDG-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001568312402 1169239751 /nfs/dbraw/zinc/23/97/51/1169239751.db2.gz LFNUHBKYPQCCHC-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001571180964 1170343629 /nfs/dbraw/zinc/34/36/29/1170343629.db2.gz JYMWDKFTGKOLLX-RBSFLKMASA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001571465571 1170441470 /nfs/dbraw/zinc/44/14/70/1170441470.db2.gz HFYSZIHGUGDCOM-LSDHHAIUSA-N 2 0 291.439 1.627 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001662686016 1172580437 /nfs/dbraw/zinc/58/04/37/1172580437.db2.gz UWNBAZGSCSNFPA-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001664572772 1172868315 /nfs/dbraw/zinc/86/83/15/1172868315.db2.gz DWSLGKIDJNLKMT-IRXDYDNUSA-N 2 0 299.418 1.551 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001667459892 1173271343 /nfs/dbraw/zinc/27/13/43/1173271343.db2.gz WSUKQBBYRSTRNS-HZPDHXFCSA-N 2 0 293.455 1.635 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC)C2CC2)CC1 ZINC001690014599 1175346200 /nfs/dbraw/zinc/34/62/00/1175346200.db2.gz JOGNOJKUNVGGHD-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001690383277 1175457628 /nfs/dbraw/zinc/45/76/28/1175457628.db2.gz LLRWOCDOVLJKCI-HUUCEWRRSA-N 2 0 297.418 1.128 10 30 CDEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001690799884 1175574373 /nfs/dbraw/zinc/57/43/73/1175574373.db2.gz IKDYSTAKBPWTTF-QGZVFWFLSA-N 2 0 299.418 1.020 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001698587029 1175858546 /nfs/dbraw/zinc/85/85/46/1175858546.db2.gz MJMIYTXANGSIQI-OAHLLOKOSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001698719101 1175902325 /nfs/dbraw/zinc/90/23/25/1175902325.db2.gz FICHDQPMKCHCOL-MRXNPFEDSA-N 2 0 287.407 1.530 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001698988642 1176019135 /nfs/dbraw/zinc/01/91/35/1176019135.db2.gz JQWNVDOFNGKYRN-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001699028938 1176048979 /nfs/dbraw/zinc/04/89/79/1176048979.db2.gz NTRXCOMCDWVKLV-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699098445 1176091676 /nfs/dbraw/zinc/09/16/76/1176091676.db2.gz DJBMTUKJSVVOEX-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001699344590 1176277166 /nfs/dbraw/zinc/27/71/66/1176277166.db2.gz KYHHEVBJYJEJSD-WAYWQWQTSA-N 2 0 287.407 1.810 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001699387963 1176346561 /nfs/dbraw/zinc/34/65/61/1176346561.db2.gz LNYSQJKEUBQAIW-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001699411619 1176376568 /nfs/dbraw/zinc/37/65/68/1176376568.db2.gz XARIMOZRNRLIMX-LBPRGKRZSA-N 2 0 284.363 1.374 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001699461319 1176424459 /nfs/dbraw/zinc/42/44/59/1176424459.db2.gz RSVLBQSLHIXJTJ-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001699595372 1176492684 /nfs/dbraw/zinc/49/26/84/1176492684.db2.gz YPBRCVIPNLAQCF-BPUTZDHNSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001699944359 1176691389 /nfs/dbraw/zinc/69/13/89/1176691389.db2.gz MECMWLQTJVVRLL-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001699944361 1176691924 /nfs/dbraw/zinc/69/19/24/1176691924.db2.gz MECMWLQTJVVRLL-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001700275165 1176827645 /nfs/dbraw/zinc/82/76/45/1176827645.db2.gz RNVUSPXZUPJHAA-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001700378725 1176884269 /nfs/dbraw/zinc/88/42/69/1176884269.db2.gz WIUBEWOCHGGCSE-UHFFFAOYSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001700675780 1177069525 /nfs/dbraw/zinc/06/95/25/1177069525.db2.gz OKRFNQOHHAXFHC-CQSZACIVSA-N 2 0 281.444 1.472 10 30 CDEERP C=CCC[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001700684084 1177073014 /nfs/dbraw/zinc/07/30/14/1177073014.db2.gz MTMGYPGVXWEYPG-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001700753434 1177114085 /nfs/dbraw/zinc/11/40/85/1177114085.db2.gz XQRHCOWGOKBTKK-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001707108189 1177952375 /nfs/dbraw/zinc/95/23/75/1177952375.db2.gz RIFQXFJYWKLNOP-XHSDSOJGSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001707417044 1178031828 /nfs/dbraw/zinc/03/18/28/1178031828.db2.gz DGONNJIUTVAZQO-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713238419 1178448686 /nfs/dbraw/zinc/44/86/86/1178448686.db2.gz HQVDZJQYVCZXCB-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001713900141 1178830379 /nfs/dbraw/zinc/83/03/79/1178830379.db2.gz QOVMNIBWDRLZTC-MRXNPFEDSA-N 2 0 293.455 1.522 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001714050086 1178945712 /nfs/dbraw/zinc/94/57/12/1178945712.db2.gz MYTYSUAKVUUUFI-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714148892 1178990578 /nfs/dbraw/zinc/99/05/78/1178990578.db2.gz BHOQUEQJDKMANS-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001714899277 1179443770 /nfs/dbraw/zinc/44/37/70/1179443770.db2.gz NRIORMIUNPQJRB-CVEARBPZSA-N 2 0 291.439 1.132 10 30 CDEERP C=CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001714912786 1179450139 /nfs/dbraw/zinc/45/01/39/1179450139.db2.gz LAASFGCQZJOESM-GDBMZVCRSA-N 2 0 293.455 1.683 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001714919552 1179452866 /nfs/dbraw/zinc/45/28/66/1179452866.db2.gz NSEYMBGYYQYQHK-OWCLPIDISA-N 2 0 293.455 1.470 10 30 CDEERP C=CC[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001715126735 1179560237 /nfs/dbraw/zinc/56/02/37/1179560237.db2.gz GWLXEAWGCMQDRC-ZBFHGGJFSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715155379 1179565427 /nfs/dbraw/zinc/56/54/27/1179565427.db2.gz SBIAFCCPNWFGFM-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715225982 1179585548 /nfs/dbraw/zinc/58/55/48/1179585548.db2.gz DTPMTXNURVUTMB-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001715346256 1179635839 /nfs/dbraw/zinc/63/58/39/1179635839.db2.gz NELMTMOBMXBWBP-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001716195373 1180091742 /nfs/dbraw/zinc/09/17/42/1180091742.db2.gz FAQZPFWSFLDJNS-LSDHHAIUSA-N 2 0 297.443 1.015 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001716874273 1180449545 /nfs/dbraw/zinc/44/95/45/1180449545.db2.gz KSLQMEIBVYEQGJ-DOTOQJQBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001716889078 1180454778 /nfs/dbraw/zinc/45/47/78/1180454778.db2.gz VVDNLGURCSJUMM-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001717153246 1180551699 /nfs/dbraw/zinc/55/16/99/1180551699.db2.gz OGGXTEDMHBKFAM-CABCVRRESA-N 2 0 289.423 1.265 10 30 CDEERP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001717622557 1180760817 /nfs/dbraw/zinc/76/08/17/1180760817.db2.gz IEQZYQJUTGNVJC-ARFHVFGLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001717804533 1180865739 /nfs/dbraw/zinc/86/57/39/1180865739.db2.gz FXJOHSUTENWIQI-UONOGXRCSA-N 2 0 267.417 1.482 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CC ZINC001723388708 1181545502 /nfs/dbraw/zinc/54/55/02/1181545502.db2.gz GIXMRYVIYVXHMC-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001723939166 1181625115 /nfs/dbraw/zinc/62/51/15/1181625115.db2.gz CMFJPDLIGGSTTJ-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001724761472 1181741461 /nfs/dbraw/zinc/74/14/61/1181741461.db2.gz XXCBPLPDZCQCRA-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001725004069 1181822623 /nfs/dbraw/zinc/82/26/23/1181822623.db2.gz VFKHPHQHEFGKHV-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001725230907 1181928244 /nfs/dbraw/zinc/92/82/44/1181928244.db2.gz XXUYRSQQCQJWDM-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001725563899 1182051083 /nfs/dbraw/zinc/05/10/83/1182051083.db2.gz FUHHIOZIYXJGTO-HIFRSBDPSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001731532209 1182437371 /nfs/dbraw/zinc/43/73/71/1182437371.db2.gz VMSZREXEAYXBHR-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001731677516 1182514832 /nfs/dbraw/zinc/51/48/32/1182514832.db2.gz XDQPQUANTNIOFJ-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001731867066 1182637554 /nfs/dbraw/zinc/63/75/54/1182637554.db2.gz QEJLUJGRCTVVCR-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001732164655 1182825827 /nfs/dbraw/zinc/82/58/27/1182825827.db2.gz GFACBFBJSCMLOX-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001732314375 1182903338 /nfs/dbraw/zinc/90/33/38/1182903338.db2.gz DXDVXQSWANORLP-INIZCTEOSA-N 2 0 287.407 1.673 10 30 CDEERP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001732542394 1183000855 /nfs/dbraw/zinc/00/08/55/1183000855.db2.gz YUWKYVGQKLKEFX-HOCLYGCPSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001733082574 1183280551 /nfs/dbraw/zinc/28/05/51/1183280551.db2.gz FEYFQJJTFJGRRT-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001733224827 1183351700 /nfs/dbraw/zinc/35/17/00/1183351700.db2.gz DBOZPTALIQYYFS-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001733452071 1183436418 /nfs/dbraw/zinc/43/64/18/1183436418.db2.gz MKKSJOCZULFQJZ-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001733676713 1183495773 /nfs/dbraw/zinc/49/57/73/1183495773.db2.gz JNWUXBUQTYJWLQ-AWEZNQCLSA-N 2 0 299.846 1.663 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001733937143 1183574804 /nfs/dbraw/zinc/57/48/04/1183574804.db2.gz GZFTWNSWDVUITN-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001733937818 1183575674 /nfs/dbraw/zinc/57/56/74/1183575674.db2.gz LWHVIVMIEAPEFK-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH+]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001734147149 1183675834 /nfs/dbraw/zinc/67/58/34/1183675834.db2.gz ZOLSOTHAKXGDCI-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000876854401 828837494 /nfs/dbraw/zinc/83/74/94/828837494.db2.gz SHQLAOFWCVHPJU-OLZOCXBDSA-N 2 0 285.819 1.304 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000876979557 834159200 /nfs/dbraw/zinc/15/92/00/834159200.db2.gz JYDZVTFDEZHTSR-ZIAGYGMSSA-N 2 0 299.846 1.695 10 30 CDEERP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000303991521 828987388 /nfs/dbraw/zinc/98/73/88/828987388.db2.gz ZOOZLKYESNXLFW-CQSZACIVSA-N 2 0 282.432 1.334 10 30 CDEERP C#C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000827566241 830003752 /nfs/dbraw/zinc/00/37/52/830003752.db2.gz UGRPNLHHSLQQCR-PMPSAXMXSA-N 2 0 262.397 1.631 10 30 CDEERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000870994194 830031725 /nfs/dbraw/zinc/03/17/25/830031725.db2.gz OTYCFVHPKBPRCU-IUODEOHRSA-N 2 0 280.416 1.231 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000852865727 830188807 /nfs/dbraw/zinc/18/88/07/830188807.db2.gz NILGPLHXNDVQJM-MRXNPFEDSA-N 2 0 289.423 1.076 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000876507879 830290874 /nfs/dbraw/zinc/29/08/74/830290874.db2.gz POGLYRWVUAEKPW-ZDUSSCGKSA-N 2 0 296.802 1.147 10 30 CDEERP C=C(Cl)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863575983 830383185 /nfs/dbraw/zinc/38/31/85/830383185.db2.gz OHEGYIWXVKVGIX-CYBMUJFWSA-N 2 0 258.793 1.829 10 30 CDEERP CCCC[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852862547 833843668 /nfs/dbraw/zinc/84/36/68/833843668.db2.gz ARUXCEICTIHSAZ-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000876919400 833859753 /nfs/dbraw/zinc/85/97/53/833859753.db2.gz VSMGYFIVTGEFQW-KGLIPLIRSA-N 2 0 293.798 1.629 10 30 CDEERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852869768 832523426 /nfs/dbraw/zinc/52/34/26/832523426.db2.gz LHVMUPBSOOLVRF-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000708855981 832873022 /nfs/dbraw/zinc/87/30/22/832873022.db2.gz WQMUBSCEMZBVSP-KCPJHIHWSA-N 2 0 259.353 1.118 10 30 CDEERP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303975544 832955915 /nfs/dbraw/zinc/95/59/15/832955915.db2.gz JEOZPLBHXDUIJP-KGLIPLIRSA-N 2 0 282.432 1.144 10 30 CDEERP C[NH+]=C(NC[C@@H]1CC1(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261948026 833833965 /nfs/dbraw/zinc/83/39/65/833833965.db2.gz GLAWJWRMIZWSHW-HZSPNIEDSA-N 2 0 280.460 1.926 10 30 CDEERP [NH2+]=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC1 ZINC000195165117 834413166 /nfs/dbraw/zinc/41/31/66/834413166.db2.gz QKPBXUKEVQZYAB-CQSZACIVSA-N 2 0 272.396 1.575 10 30 CDEERP C#Cc1ccc(NC(=O)CCN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000931277750 834942345 /nfs/dbraw/zinc/94/23/45/834942345.db2.gz SDYDLUYTBSDITL-VQFNDLOPSA-N 2 0 297.402 1.488 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928079495 835285074 /nfs/dbraw/zinc/28/50/74/835285074.db2.gz ZCHACCSENWMPBL-UONOGXRCSA-N 2 0 297.468 1.190 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000876723739 835336364 /nfs/dbraw/zinc/33/63/64/835336364.db2.gz GMWOXRILESSVBE-RYUDHWBXSA-N 2 0 273.808 1.447 10 30 CDEERP N#Cc1cnccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364429 835612500 /nfs/dbraw/zinc/61/25/00/835612500.db2.gz CFPYXOHUGMKTJK-UHFFFAOYSA-N 2 0 256.353 1.529 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001566785075 1168420422 /nfs/dbraw/zinc/42/04/22/1168420422.db2.gz CFRXBKWUIKHUOQ-TUVASFSCSA-N 2 0 279.428 1.672 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)Cc1[nH]cnc1C ZINC001483696470 912876746 /nfs/dbraw/zinc/87/67/46/912876746.db2.gz KGHGQWGHSFDMKB-CYBMUJFWSA-N 2 0 276.384 1.417 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001272342544 912892161 /nfs/dbraw/zinc/89/21/61/912892161.db2.gz HSDWFDGLVFPMQA-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266252296 893924105 /nfs/dbraw/zinc/92/41/05/893924105.db2.gz QVCOOOQMVCEJIV-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001266377430 894627514 /nfs/dbraw/zinc/62/75/14/894627514.db2.gz WILAFUAUIJERCC-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001266562319 895374790 /nfs/dbraw/zinc/37/47/90/895374790.db2.gz WDEOFJPRTUGDAD-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266816487 896112006 /nfs/dbraw/zinc/11/20/06/896112006.db2.gz DJAZPEPCVNEBJI-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001266860031 896214560 /nfs/dbraw/zinc/21/45/60/896214560.db2.gz VQKCBTSGCOMJOT-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267174397 897007353 /nfs/dbraw/zinc/00/73/53/897007353.db2.gz XTQDJNAZVVAXPB-UKRRQHHQSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267241834 897300967 /nfs/dbraw/zinc/30/09/67/897300967.db2.gz MMPVEIXALZZXNW-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267595357 898644786 /nfs/dbraw/zinc/64/47/86/898644786.db2.gz HTBXZNBUHSBMQA-HZPDHXFCSA-N 2 0 293.455 1.685 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001567693854 1168921194 /nfs/dbraw/zinc/92/11/94/1168921194.db2.gz ZSDNOJYAAFNBOL-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001481911843 902306556 /nfs/dbraw/zinc/30/65/56/902306556.db2.gz DIDSJLQPTUCNMN-UHFFFAOYSA-N 2 0 277.412 1.124 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001268555800 902556630 /nfs/dbraw/zinc/55/66/30/902556630.db2.gz LOQDRKFCYWCSPB-DKLOGILVSA-N 2 0 289.423 1.289 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001268674124 902936804 /nfs/dbraw/zinc/93/68/04/902936804.db2.gz PTDPHTNNMZVNII-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001269465430 903832656 /nfs/dbraw/zinc/83/26/56/903832656.db2.gz YCMHGTOWIGIJMA-UHFFFAOYSA-N 2 0 277.412 1.123 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001482414175 905323430 /nfs/dbraw/zinc/32/34/30/905323430.db2.gz RUNHDQYVHYZXQT-JKSUJKDBSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001271560065 906518499 /nfs/dbraw/zinc/51/84/99/906518499.db2.gz GTYMNDFVYZQKDP-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001271659838 906575911 /nfs/dbraw/zinc/57/59/11/906575911.db2.gz LXGCWCNUCQHISZ-GJZGRUSLSA-N 2 0 293.455 1.588 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001482535902 906913431 /nfs/dbraw/zinc/91/34/31/906913431.db2.gz HOEHADFNNAPREK-KBPBESRZSA-N 2 0 269.433 1.489 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001273578253 921406063 /nfs/dbraw/zinc/40/60/63/921406063.db2.gz OLWWYRLPEYTYJM-AWEZNQCLSA-N 2 0 267.417 1.130 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001409424770 910394056 /nfs/dbraw/zinc/39/40/56/910394056.db2.gz VIJPZSLYDQWZED-VXGBXAGGSA-N 2 0 287.835 1.564 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001483352108 910956815 /nfs/dbraw/zinc/95/68/15/910956815.db2.gz WNZXBTHLLIBJPU-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484062414 915383335 /nfs/dbraw/zinc/38/33/35/915383335.db2.gz BSNSZVHXTWDACH-QGZVFWFLSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001484382378 915699547 /nfs/dbraw/zinc/69/95/47/915699547.db2.gz XAQYDTMBXRCUDT-HOTGVXAUSA-N 2 0 295.471 1.979 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001484526086 915853857 /nfs/dbraw/zinc/85/38/57/915853857.db2.gz WEAZUWJCTHKCLD-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](NC(=O)CCCn2ccnc2)[C@H]1C ZINC001486185883 920789681 /nfs/dbraw/zinc/78/96/81/920789681.db2.gz DVHUQMBHRVPQBX-HUUCEWRRSA-N 2 0 288.395 1.266 10 30 CDEERP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001568338955 1169254878 /nfs/dbraw/zinc/25/48/78/1169254878.db2.gz KSMPPCAGYXFNLN-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001568369491 1169264411 /nfs/dbraw/zinc/26/44/11/1169264411.db2.gz KEALBNMBDVUPOD-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001491455720 936919354 /nfs/dbraw/zinc/91/93/54/936919354.db2.gz IXHIQPYXYAJMIA-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001488774921 926689598 /nfs/dbraw/zinc/68/95/98/926689598.db2.gz YTOFKRQUTJGRPC-GASCZTMLSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001490216304 927022775 /nfs/dbraw/zinc/02/27/75/927022775.db2.gz MIPZXUZMKSQOJN-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001274104254 931171460 /nfs/dbraw/zinc/17/14/60/931171460.db2.gz AVZXKTJKSGEOCM-YVACAVLKSA-N 2 0 277.412 1.146 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275697149 931963630 /nfs/dbraw/zinc/96/36/30/931963630.db2.gz FORJJBWTUSJMDO-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001276001591 932220860 /nfs/dbraw/zinc/22/08/60/932220860.db2.gz GXZXRGSBSDZMES-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)CCC[NH2+]1 ZINC001119362760 937713065 /nfs/dbraw/zinc/71/30/65/937713065.db2.gz IOADIVSNXXSJHN-ZOMKSWQUSA-N 2 0 291.439 1.578 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001568633098 1169409334 /nfs/dbraw/zinc/40/93/34/1169409334.db2.gz XREDMTWSAGORAV-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001121903414 937889038 /nfs/dbraw/zinc/88/90/38/937889038.db2.gz RCKKTEGXYSEUTC-UHFFFAOYSA-N 2 0 285.391 1.121 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001568699346 1169438378 /nfs/dbraw/zinc/43/83/78/1169438378.db2.gz QGDGYXRGMFOWAL-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001276712337 940827559 /nfs/dbraw/zinc/82/75/59/940827559.db2.gz UGDJDJQKAUFLRG-OAHLLOKOSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)CN1CC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001276923498 941700646 /nfs/dbraw/zinc/70/06/46/941700646.db2.gz JGKBHEDZVUQZOJ-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001277201033 942167795 /nfs/dbraw/zinc/16/77/95/942167795.db2.gz OIDNRAIVNGNFJG-HOTGVXAUSA-N 2 0 293.455 1.759 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCCC1 ZINC001282619081 942733751 /nfs/dbraw/zinc/73/37/51/942733751.db2.gz IQVALKZCDXFYMS-UHFFFAOYSA-N 2 0 281.444 1.923 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001283552140 942931024 /nfs/dbraw/zinc/93/10/24/942931024.db2.gz BPHFDTPWZGHGBD-KGLIPLIRSA-N 2 0 267.417 1.339 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001263901607 944026243 /nfs/dbraw/zinc/02/62/43/944026243.db2.gz BGTGLAYYQOEYTA-QKPAOTATSA-N 2 0 291.439 1.224 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001265225488 944283971 /nfs/dbraw/zinc/28/39/71/944283971.db2.gz YTFLXMRAYRNVFB-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001277987386 944523060 /nfs/dbraw/zinc/52/30/60/944523060.db2.gz HZNUCPICFNIYAT-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCCCC)CC1 ZINC001265870802 944549042 /nfs/dbraw/zinc/54/90/42/944549042.db2.gz WRZJJNWWMWCPSM-OAHLLOKOSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001266040967 944650906 /nfs/dbraw/zinc/65/09/06/944650906.db2.gz PSBVICCENPICCD-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001332199148 945909876 /nfs/dbraw/zinc/90/98/76/945909876.db2.gz NLHXUHBPTXVETK-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001479258794 971277384 /nfs/dbraw/zinc/27/73/84/971277384.db2.gz XXKIITWELREWSL-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CCC ZINC001479579195 971343366 /nfs/dbraw/zinc/34/33/66/971343366.db2.gz VLXCIIFIMPMBNB-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001278397415 947550380 /nfs/dbraw/zinc/55/03/80/947550380.db2.gz HHHAWKDMUDTISU-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001479955153 971507182 /nfs/dbraw/zinc/50/71/82/971507182.db2.gz MBFQQXYWTMUIGT-CYBMUJFWSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001480111260 971582734 /nfs/dbraw/zinc/58/27/34/971582734.db2.gz MQXHFFZKWDSRMQ-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001480333389 971676496 /nfs/dbraw/zinc/67/64/96/971676496.db2.gz SFQHNHJHLUJPIA-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001278653760 951164777 /nfs/dbraw/zinc/16/47/77/951164777.db2.gz OKYWBJQLGSTNKP-RDJZCZTQSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001480591175 971798104 /nfs/dbraw/zinc/79/81/04/971798104.db2.gz CPYRFDYBZDWYLW-CYBMUJFWSA-N 2 0 253.390 1.143 10 30 CDEERP C=CCC[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001324661161 953501798 /nfs/dbraw/zinc/50/17/98/953501798.db2.gz LXZVOMIHRNVLLC-GOEBONIOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001324735337 953551005 /nfs/dbraw/zinc/55/10/05/953551005.db2.gz FYEAYMQAXZRSKV-GDBMZVCRSA-N 2 0 299.434 1.681 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001324880611 953621823 /nfs/dbraw/zinc/62/18/23/953621823.db2.gz PPIRDRXNOBUARV-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001493290232 972009544 /nfs/dbraw/zinc/00/95/44/972009544.db2.gz FAJOUMVODAEGIC-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001491894200 955495985 /nfs/dbraw/zinc/49/59/85/955495985.db2.gz NAFAMSCZQRAVLA-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001569218574 1169724274 /nfs/dbraw/zinc/72/42/74/1169724274.db2.gz XJMIOQOSSNZZDA-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001480651721 955888907 /nfs/dbraw/zinc/88/89/07/955888907.db2.gz METXIEAYPVPOTH-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001329876175 956155099 /nfs/dbraw/zinc/15/50/99/956155099.db2.gz PCTFPNOVBUFCEX-OWCLPIDISA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001331476140 957091692 /nfs/dbraw/zinc/09/16/92/957091692.db2.gz TYOVGCGTONKGHA-KBPBESRZSA-N 2 0 269.433 1.585 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001317014068 957201501 /nfs/dbraw/zinc/20/15/01/957201501.db2.gz AGJCMBVMVSETRI-CVEARBPZSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001317159213 957311771 /nfs/dbraw/zinc/31/17/71/957311771.db2.gz YILMETNTKKWZOE-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001317491626 957508900 /nfs/dbraw/zinc/50/89/00/957508900.db2.gz DHIHJNBWUIAOHV-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317532537 957533456 /nfs/dbraw/zinc/53/34/56/957533456.db2.gz LOFQPFJIZNGQFP-HOTGVXAUSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001319244340 958452810 /nfs/dbraw/zinc/45/28/10/958452810.db2.gz IHTNKMIMTFBCIR-STQMWFEESA-N 2 0 255.406 1.245 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001569302736 1169754663 /nfs/dbraw/zinc/75/46/63/1169754663.db2.gz BBLIXBBYPGZIRO-HOTGVXAUSA-N 2 0 293.455 1.920 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001319916977 958786435 /nfs/dbraw/zinc/78/64/35/958786435.db2.gz IXHYUYBXALRVEH-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001320058255 958910187 /nfs/dbraw/zinc/91/01/87/958910187.db2.gz JZMILBOQJLXSNV-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001320147123 958968964 /nfs/dbraw/zinc/96/89/64/958968964.db2.gz NSJRJLVEDRYWRJ-UKRRQHHQSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001320445750 959178426 /nfs/dbraw/zinc/17/84/26/959178426.db2.gz JDCRQOKHYMQCOZ-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001321867589 959995184 /nfs/dbraw/zinc/99/51/84/959995184.db2.gz QHMYWJHEIBRJTD-LBPRGKRZSA-N 2 0 293.436 1.541 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001370269586 960038121 /nfs/dbraw/zinc/03/81/21/960038121.db2.gz YUZKMSKTCIOAQQ-QWHCGFSZSA-N 2 0 287.835 1.564 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)N(C)C ZINC001322305586 960177587 /nfs/dbraw/zinc/17/75/87/960177587.db2.gz FMURRUDFDUCBFW-ZBFHGGJFSA-N 2 0 287.407 1.359 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)CCc1c[nH]cn1 ZINC001322541008 960252489 /nfs/dbraw/zinc/25/24/89/960252489.db2.gz WFVFDYMVBFMPHF-UHFFFAOYSA-N 2 0 284.791 1.533 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001322657802 960289954 /nfs/dbraw/zinc/28/99/54/960289954.db2.gz OVNGFXMGJYYYHX-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001323566918 960824731 /nfs/dbraw/zinc/82/47/31/960824731.db2.gz LRTFXCXZSWTKCI-LSDHHAIUSA-N 2 0 291.439 1.818 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001324099008 961163029 /nfs/dbraw/zinc/16/30/29/961163029.db2.gz UUPSADUWNCOZAN-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001324261238 961271861 /nfs/dbraw/zinc/27/18/61/961271861.db2.gz NZEMVVWCMAIUQD-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)CN1CC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001420568670 963070743 /nfs/dbraw/zinc/07/07/43/963070743.db2.gz WEUYKCNWHUPDMG-KBPBESRZSA-N 2 0 299.846 1.519 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H]2CCCCC[NH2+]2)CCC[NH2+]1 ZINC001342203989 963671908 /nfs/dbraw/zinc/67/19/08/963671908.db2.gz GBCQIVWHYYHKDJ-DZGCQCFKSA-N 2 0 265.401 1.333 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC001342556288 963761026 /nfs/dbraw/zinc/76/10/26/963761026.db2.gz RRPIBPZVSATWFD-ZNSHCXBVSA-N 2 0 259.781 1.054 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC001443445534 965469735 /nfs/dbraw/zinc/46/97/35/965469735.db2.gz YUWNOFJADASQFG-UHFFFAOYSA-N 2 0 267.417 1.295 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001569423451 1169876122 /nfs/dbraw/zinc/87/61/22/1169876122.db2.gz XIMPQRXOWQDTCX-UHFFFAOYSA-N 2 0 287.407 1.786 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001444982904 966038841 /nfs/dbraw/zinc/03/88/41/966038841.db2.gz GDMBRSSHWSBLGX-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001445651940 966267827 /nfs/dbraw/zinc/26/78/27/966267827.db2.gz ARLDCFPCFXNSDF-QWHCGFSZSA-N 2 0 287.835 1.708 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC001540448103 967140419 /nfs/dbraw/zinc/14/04/19/967140419.db2.gz VMGNURANKJJSTE-UHFFFAOYSA-N 2 0 255.406 1.339 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569542224 1169916574 /nfs/dbraw/zinc/91/65/74/1169916574.db2.gz UBPJWDPSWVUBGF-OWCLPIDISA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001569562802 1169925535 /nfs/dbraw/zinc/92/55/35/1169925535.db2.gz ZFIYUHUTVRMGGO-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001355611723 969226128 /nfs/dbraw/zinc/22/61/28/969226128.db2.gz HQYXNBSLKYRVPD-GXTWGEPZSA-N 2 0 251.374 1.025 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001495662331 972584949 /nfs/dbraw/zinc/58/49/49/972584949.db2.gz QULSCSLUXHSGQH-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001495731428 972611565 /nfs/dbraw/zinc/61/15/65/972611565.db2.gz PPIYMROHOLQHFQ-RDBSUJKOSA-N 2 0 267.417 1.245 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001371832329 972652566 /nfs/dbraw/zinc/65/25/66/972652566.db2.gz KCOOECRCBBAIHQ-AAEUAGOBSA-N 2 0 287.835 1.565 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCC1 ZINC001495924137 972704205 /nfs/dbraw/zinc/70/42/05/972704205.db2.gz PXSMCGITAJWPRR-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497207924 973244297 /nfs/dbraw/zinc/24/42/97/973244297.db2.gz MNNISDCAYFKTJI-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497207926 973246104 /nfs/dbraw/zinc/24/61/04/973246104.db2.gz MNNISDCAYFKTJI-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001374206272 973834178 /nfs/dbraw/zinc/83/41/78/973834178.db2.gz NIMXGFSDGJZRQA-NEPJUHHUSA-N 2 0 273.808 1.270 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001498567754 973985023 /nfs/dbraw/zinc/98/50/23/973985023.db2.gz DOPWFYXISWBAMO-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001499248993 974222165 /nfs/dbraw/zinc/22/21/65/974222165.db2.gz NBZWEFQBTKCXMF-UHFFFAOYSA-N 2 0 265.401 1.285 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCCC)CC2)CC1 ZINC001499458213 974253040 /nfs/dbraw/zinc/25/30/40/974253040.db2.gz BLRHLVQRUIPNJH-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001499615503 974274458 /nfs/dbraw/zinc/27/44/58/974274458.db2.gz DSJAHIMZUYMVBK-QGZVFWFLSA-N 2 0 291.439 1.276 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001499927200 974337751 /nfs/dbraw/zinc/33/77/51/974337751.db2.gz ZPONZGRIMHIACQ-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001500354115 974426265 /nfs/dbraw/zinc/42/62/65/974426265.db2.gz LAINYWBZQIVPIH-KRWDZBQOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001505518625 974898862 /nfs/dbraw/zinc/89/88/62/974898862.db2.gz QBASVLMFVWVHIT-UHFFFAOYSA-N 2 0 281.444 1.635 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001506014906 975086203 /nfs/dbraw/zinc/08/62/03/975086203.db2.gz KUYGFYVZLDHYEJ-HZPDHXFCSA-N 2 0 293.455 1.709 10 30 CDEERP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001377766462 975132656 /nfs/dbraw/zinc/13/26/56/975132656.db2.gz NMRULVVPRTXSDC-KGLIPLIRSA-N 2 0 299.846 1.471 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001377833590 975151331 /nfs/dbraw/zinc/15/13/31/975151331.db2.gz YBFHWUVLJWKNQJ-NEPJUHHUSA-N 2 0 287.835 1.706 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001507443944 975472626 /nfs/dbraw/zinc/47/26/26/975472626.db2.gz SIAVPZDFWSMLDA-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401704648 975816733 /nfs/dbraw/zinc/81/67/33/975816733.db2.gz AHRQMVYIHDYPQH-JQWIXIFHSA-N 2 0 273.808 1.175 10 30 CDEERP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[NH+](C)C ZINC001379554523 975923141 /nfs/dbraw/zinc/92/31/41/975923141.db2.gz WFMWYJHPEYRFKX-ZDUSSCGKSA-N 2 0 288.395 1.104 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001398581189 976056896 /nfs/dbraw/zinc/05/68/96/976056896.db2.gz RXPIYENGPMSOBW-HAQNSBGRSA-N 2 0 273.808 1.316 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001675317469 1174101593 /nfs/dbraw/zinc/10/15/93/1174101593.db2.gz HEGZOAJJYCOFLI-GFCCVEGCSA-N 2 0 265.401 1.093 10 30 CDEERP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001675473601 1174117385 /nfs/dbraw/zinc/11/73/85/1174117385.db2.gz OEYOEBKLDCOSHI-CQSZACIVSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001676351420 1174213466 /nfs/dbraw/zinc/21/34/66/1174213466.db2.gz QSAVPJWDLZWSIS-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001676886393 1174285893 /nfs/dbraw/zinc/28/58/93/1174285893.db2.gz JDXRWKFIHXJWBZ-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001570022090 1170060705 /nfs/dbraw/zinc/06/07/05/1170060705.db2.gz NQYREZMTNLWTKN-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001570440135 1170159285 /nfs/dbraw/zinc/15/92/85/1170159285.db2.gz IOOABDXSMQDXIZ-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C1CCC(N(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001570666098 1170226287 /nfs/dbraw/zinc/22/62/87/1170226287.db2.gz OFRFFUKXRFRKSM-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001570815676 1170286257 /nfs/dbraw/zinc/28/62/57/1170286257.db2.gz IBHFUDVEKXLUEE-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP CC[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594426911 342897262 /nfs/dbraw/zinc/89/72/62/342897262.db2.gz RWNOVAZBGFLWMC-AWEZNQCLSA-N 2 0 280.416 1.246 10 30 CDEERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437185 342905566 /nfs/dbraw/zinc/90/55/66/342905566.db2.gz IZOMTOICZFVRQH-LSDHHAIUSA-N 2 0 294.443 1.634 10 30 CDEERP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438585 342906218 /nfs/dbraw/zinc/90/62/18/342906218.db2.gz OMXZJTOAPNOELL-UONOGXRCSA-N 2 0 280.416 1.388 10 30 CDEERP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)c1 ZINC000600717739 342244464 /nfs/dbraw/zinc/24/44/64/342244464.db2.gz MXOXSYAACSMTOO-INIZCTEOSA-N 2 0 287.407 1.893 10 30 CDEERP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000600719850 342244607 /nfs/dbraw/zinc/24/46/07/342244607.db2.gz KXNUBEIHLWUXTR-OCCSQVGLSA-N 2 0 263.385 1.115 10 30 CDEERP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600735566 342246217 /nfs/dbraw/zinc/24/62/17/342246217.db2.gz LFUMJKIUKJFLDM-UONOGXRCSA-N 2 0 265.401 1.363 10 30 CDEERP C=CCCC[C@H](C)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000091555638 342405344 /nfs/dbraw/zinc/40/53/44/342405344.db2.gz RNDYLEBDKZMMMK-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCC[NH2+]1 ZINC000634765512 358498688 /nfs/dbraw/zinc/49/86/88/358498688.db2.gz VAXXRDWUCCDWPJ-XJKSGUPXSA-N 2 0 279.428 1.579 10 30 CDEERP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639764785 364921891 /nfs/dbraw/zinc/92/18/91/364921891.db2.gz XHQBWDUHCHWPQY-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001661738571 1172437201 /nfs/dbraw/zinc/43/72/01/1172437201.db2.gz ILFAJBTUEYLHLR-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001661841477 1172453274 /nfs/dbraw/zinc/45/32/74/1172453274.db2.gz AYFPAAVGCQYDIS-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP C[C@H](CNCc1nc(C#N)cs1)C[NH+]1CCCC1 ZINC000352854096 374361202 /nfs/dbraw/zinc/36/12/02/374361202.db2.gz PSZKCVOPUXGXEE-LLVKDONJSA-N 2 0 264.398 1.836 10 30 CDEERP C=CCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000133007302 375661383 /nfs/dbraw/zinc/66/13/83/375661383.db2.gz ZSFZXLAGKIMZCJ-HNNXBMFYSA-N 2 0 251.418 1.664 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247556240 377151193 /nfs/dbraw/zinc/15/11/93/377151193.db2.gz ZQUWUDVFMVALHV-ZBFHGGJFSA-N 2 0 289.423 1.027 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000417545174 377932191 /nfs/dbraw/zinc/93/21/91/377932191.db2.gz XNVXGTNXYQULSE-UKRRQHHQSA-N 2 0 294.443 1.324 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001662856467 1172605594 /nfs/dbraw/zinc/60/55/94/1172605594.db2.gz ONWGHTRSKLKHTJ-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001663009183 1172627434 /nfs/dbraw/zinc/62/74/34/1172627434.db2.gz RDNKEFBYMDNNDV-CYBMUJFWSA-N 2 0 253.390 1.143 10 30 CDEERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404831155 392758320 /nfs/dbraw/zinc/75/83/20/392758320.db2.gz IKKRPEPFBMZJTN-CYBMUJFWSA-N 2 0 265.332 1.541 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)CCC[NH2+]1 ZINC000662673889 413288399 /nfs/dbraw/zinc/28/83/99/413288399.db2.gz RXZNNRSOSRCNRV-ZBFHGGJFSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[C@]1(C(=O)NCC[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662678573 413296185 /nfs/dbraw/zinc/29/61/85/413296185.db2.gz GISVFWPBHKVBBJ-MRXNPFEDSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H](C)C[NH+](CC)CC)CCC[NH2+]1 ZINC000662691480 413321946 /nfs/dbraw/zinc/32/19/46/413321946.db2.gz IZNASAWSAIDLOW-DZGCQCFKSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001664854508 1172919804 /nfs/dbraw/zinc/91/98/04/1172919804.db2.gz PYHJZBAUCFCNQK-HNNXBMFYSA-N 2 0 279.428 1.132 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[N@@H+](C)C2CCCC2)CCC[NH2+]1 ZINC000662721302 413383122 /nfs/dbraw/zinc/38/31/22/413383122.db2.gz TXRKRIMBXOWBSC-INIZCTEOSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[C@]1(C(=O)NCc2cn3c(cccc3C)n2)CCC[NH2+]1 ZINC000662726890 413388828 /nfs/dbraw/zinc/38/88/28/413388828.db2.gz JBNWLRVGBAWMAI-QGZVFWFLSA-N 2 0 298.390 1.957 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCC[NH2+]1 ZINC000662759257 413445324 /nfs/dbraw/zinc/44/53/24/413445324.db2.gz BUBKATSUYRVXGX-DOTOQJQBSA-N 2 0 291.439 1.675 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001665687212 1173039750 /nfs/dbraw/zinc/03/97/50/1173039750.db2.gz YXBSNSPCWUIAKC-CQSZACIVSA-N 2 0 267.417 1.435 10 30 CDEERP CC(=O)N1CCC[N@H+](Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043689120 175096221 /nfs/dbraw/zinc/09/62/21/175096221.db2.gz NADIYVDLLKMRRP-UHFFFAOYSA-N 2 0 291.420 1.113 10 30 CDEERP C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000044566217 175208014 /nfs/dbraw/zinc/20/80/14/175208014.db2.gz YLGHUBHZMDRGMD-INIZCTEOSA-N 2 0 285.391 1.211 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001666637164 1173165081 /nfs/dbraw/zinc/16/50/81/1173165081.db2.gz YJAYZBQCGWARDL-CQSZACIVSA-N 2 0 287.407 1.337 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001667545951 1173286409 /nfs/dbraw/zinc/28/64/09/1173286409.db2.gz PGFBWMXQBMQKHD-CABCVRRESA-N 2 0 281.444 1.826 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001669967360 1173637645 /nfs/dbraw/zinc/63/76/45/1173637645.db2.gz KNSDCKQUXIGXDR-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001673206562 1173835957 /nfs/dbraw/zinc/83/59/57/1173835957.db2.gz YWFJSBYVHGJKSB-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C[C@@H]1CCC[C@@](CNC(=[NH2+])N2CCO[C@@H](C)C2)([NH+](C)C)C1 ZINC000262474001 330015898 /nfs/dbraw/zinc/01/58/98/330015898.db2.gz PMWCUDJWCRQKSJ-IJEWVQPXSA-N 2 0 296.459 1.532 10 30 CDEERP CC1(C)CCC[N@H+](CCNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000262948376 330037567 /nfs/dbraw/zinc/03/75/67/330037567.db2.gz OIVCSVDIXWEYQS-ZDUSSCGKSA-N 2 0 282.432 1.192 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001698975546 1176002402 /nfs/dbraw/zinc/00/24/02/1176002402.db2.gz MFSSMDVIFNGKFM-CQSZACIVSA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001699433445 1176394055 /nfs/dbraw/zinc/39/40/55/1176394055.db2.gz PSNMQAPWKWSQRW-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001670785365 1159794246 /nfs/dbraw/zinc/79/42/46/1159794246.db2.gz XFVRGUCLZZCYFD-CQSZACIVSA-N 2 0 277.412 1.143 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001671383205 1160155054 /nfs/dbraw/zinc/15/50/54/1160155054.db2.gz ACXFSPDKKJTUKG-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000049232200 519793390 /nfs/dbraw/zinc/79/33/90/519793390.db2.gz FVEPYNMQGUAFFL-CYBMUJFWSA-N 2 0 293.436 1.374 10 30 CDEERP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001486449937 1161455826 /nfs/dbraw/zinc/45/58/26/1161455826.db2.gz VJDMINXLDXTIGV-ZFWWWQNUSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001725189336 1181916186 /nfs/dbraw/zinc/91/61/86/1181916186.db2.gz JKDKLUHSOUVLPT-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001731728382 1182535513 /nfs/dbraw/zinc/53/55/13/1182535513.db2.gz XFDZHKMRIJTEKG-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000049609779 527148130 /nfs/dbraw/zinc/14/81/30/527148130.db2.gz VQBQOFUZFHFQII-MRXNPFEDSA-N 2 0 258.365 1.344 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001690198004 1175401233 /nfs/dbraw/zinc/40/12/33/1175401233.db2.gz ZIUWAXOUFVLDGV-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000939754314 613386824 /nfs/dbraw/zinc/38/68/24/613386824.db2.gz MHHIUTRLCWGSJW-AAEUAGOBSA-N 2 0 285.819 1.271 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000900823403 623529051 /nfs/dbraw/zinc/52/90/51/623529051.db2.gz VAHQLROUDNVROH-UONOGXRCSA-N 2 0 267.417 1.293 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000900845289 623560736 /nfs/dbraw/zinc/56/07/36/623560736.db2.gz XJHHHOQQAQWPKU-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000907707567 627796823 /nfs/dbraw/zinc/79/68/23/627796823.db2.gz BKSQHEMZGZVQJT-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000908412571 628187621 /nfs/dbraw/zinc/18/76/21/628187621.db2.gz FPYPTZDVHIDANJ-OLZOCXBDSA-N 2 0 253.390 1.045 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000911864697 629576233 /nfs/dbraw/zinc/57/62/33/629576233.db2.gz NMGZFPLHJPKURQ-UHFFFAOYSA-N 2 0 269.433 1.588 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001700075064 1158910373 /nfs/dbraw/zinc/91/03/73/1158910373.db2.gz AAAJMGVHYMMVMF-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC001623348976 1165767326 /nfs/dbraw/zinc/76/73/26/1165767326.db2.gz MQDDQGQXLIGKHO-HNNXBMFYSA-N 2 0 297.443 1.064 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001566732568 1168035210 /nfs/dbraw/zinc/03/52/10/1168035210.db2.gz DOZGSWLIYLCROH-JKSUJKDBSA-N 2 0 293.455 1.777 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001567137020 1168592182 /nfs/dbraw/zinc/59/21/82/1168592182.db2.gz GFRNFNPDKJXPRT-XHSDSOJGSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCC(=C)C ZINC001568748883 1169461015 /nfs/dbraw/zinc/46/10/15/1169461015.db2.gz OAXORJZAJXJNDW-INIZCTEOSA-N 2 0 291.439 1.488 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001568950617 1169560431 /nfs/dbraw/zinc/56/04/31/1169560431.db2.gz KBQGEZYJMLSGER-ZWOPJXCPSA-N 2 0 293.455 1.945 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001569246807 1169734866 /nfs/dbraw/zinc/73/48/66/1169734866.db2.gz QDXBWHHPLBEEHB-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001569380191 1169830611 /nfs/dbraw/zinc/83/06/11/1169830611.db2.gz PSNODRAEULBAQI-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001570090314 1170075930 /nfs/dbraw/zinc/07/59/30/1170075930.db2.gz WDYSPHQKGRGJSL-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001570359704 1170142335 /nfs/dbraw/zinc/14/23/35/1170142335.db2.gz ZVMIIOMOBQLUFN-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001570543543 1170185293 /nfs/dbraw/zinc/18/52/93/1170185293.db2.gz JNUTWYNUVLKOTO-HNNXBMFYSA-N 2 0 289.423 1.028 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001571392046 1170408177 /nfs/dbraw/zinc/40/81/77/1170408177.db2.gz ODURDPSCTBYOKI-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001668088831 1173368247 /nfs/dbraw/zinc/36/82/47/1173368247.db2.gz ZZNYQXQDICDVII-GDBMZVCRSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001672816738 1173801432 /nfs/dbraw/zinc/80/14/32/1173801432.db2.gz VZBYAFTYOSCQGM-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001690955220 1175625265 /nfs/dbraw/zinc/62/52/65/1175625265.db2.gz NUUFWTKUYMLUBA-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001692376887 1175756612 /nfs/dbraw/zinc/75/66/12/1175756612.db2.gz TWDPEFQROZSMCJ-VGWMRTNUSA-N 2 0 293.455 1.966 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001698767370 1175924925 /nfs/dbraw/zinc/92/49/25/1175924925.db2.gz UNDZRJBFHLOEBZ-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001698841930 1175959154 /nfs/dbraw/zinc/95/91/54/1175959154.db2.gz XJYGMPROJKYROE-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001698970610 1176001413 /nfs/dbraw/zinc/00/14/13/1176001413.db2.gz AUSRHSYNJGSRDH-GJZGRUSLSA-N 2 0 279.428 1.082 10 30 CDEERP CC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001699001048 1176031474 /nfs/dbraw/zinc/03/14/74/1176031474.db2.gz LFPMXLXGFIMJEE-JKSUJKDBSA-N 2 0 293.455 1.520 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001699018560 1176045124 /nfs/dbraw/zinc/04/51/24/1176045124.db2.gz KLBPKADUXULZKX-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699181428 1176130525 /nfs/dbraw/zinc/13/05/25/1176130525.db2.gz NNAAAJZNSPAUQB-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699426899 1176389483 /nfs/dbraw/zinc/38/94/83/1176389483.db2.gz FGNXNSYTEDDTCW-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001699794279 1176624390 /nfs/dbraw/zinc/62/43/90/1176624390.db2.gz ZSLRZHKAPDHNEM-CVEARBPZSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001699840636 1176652406 /nfs/dbraw/zinc/65/24/06/1176652406.db2.gz LXUCPXHSTFHONK-DOTOQJQBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001699931547 1176687434 /nfs/dbraw/zinc/68/74/34/1176687434.db2.gz DMGCSFSAZGJZOG-KBPBESRZSA-N 2 0 279.428 1.483 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001700130289 1176762086 /nfs/dbraw/zinc/76/20/86/1176762086.db2.gz FMMRURSJBGRPFF-HNNXBMFYSA-N 2 0 291.439 1.511 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001700374812 1176880789 /nfs/dbraw/zinc/88/07/89/1176880789.db2.gz LERQWOFMLLTTTA-NRXISQOPSA-N 2 0 279.428 1.080 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001700404709 1176909122 /nfs/dbraw/zinc/90/91/22/1176909122.db2.gz MBILCIHVULHHRV-KBPBESRZSA-N 2 0 277.412 1.121 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC2CC2)CC1 ZINC001700430084 1176926008 /nfs/dbraw/zinc/92/60/08/1176926008.db2.gz KHQAFOWUNJVQCH-UONOGXRCSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001700631044 1177044510 /nfs/dbraw/zinc/04/45/10/1177044510.db2.gz BYMJATWPRBFNJP-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH+](C)C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001700698355 1177079448 /nfs/dbraw/zinc/07/94/48/1177079448.db2.gz WCHHVIYWCAFQLT-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001701008577 1177237753 /nfs/dbraw/zinc/23/77/53/1177237753.db2.gz SDELFELDDJKAMD-HIFRSBDPSA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001707387708 1178009631 /nfs/dbraw/zinc/00/96/31/1178009631.db2.gz PAMQCONIXJODBD-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CC2CC2)CC1 ZINC001707420655 1178034251 /nfs/dbraw/zinc/03/42/51/1178034251.db2.gz AKXPVPFFPMBWTI-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001707442190 1178045300 /nfs/dbraw/zinc/04/53/00/1178045300.db2.gz YECRJFJGSDGPAA-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001713342498 1178510857 /nfs/dbraw/zinc/51/08/57/1178510857.db2.gz IJJOWDGQHQFQFF-ZIAGYGMSSA-N 2 0 285.407 1.290 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001713411295 1178545983 /nfs/dbraw/zinc/54/59/83/1178545983.db2.gz ATFDVXKDUVRQQD-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001713472580 1178588641 /nfs/dbraw/zinc/58/86/41/1178588641.db2.gz CNJJROXGTBDTEE-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCC)C2CC2)CC1 ZINC001713887006 1178818186 /nfs/dbraw/zinc/81/81/86/1178818186.db2.gz YPJWTSSQOUAKPK-MRXNPFEDSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001714043000 1178944289 /nfs/dbraw/zinc/94/42/89/1178944289.db2.gz KWTVFHCVNNKNFB-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)CCC)CCCC[C@H]1C ZINC001714189013 1179008435 /nfs/dbraw/zinc/00/84/35/1179008435.db2.gz ZOXOYMXMLZNHDT-NVXWUHKLSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001714288902 1179067815 /nfs/dbraw/zinc/06/78/15/1179067815.db2.gz QQLIJBKHORSHRB-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714311021 1179081032 /nfs/dbraw/zinc/08/10/32/1179081032.db2.gz XFMWNFOZZXFXJY-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001714311055 1179081186 /nfs/dbraw/zinc/08/11/86/1179081186.db2.gz XZPSWSOEEOJVPC-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC)CCCC2)CC1 ZINC001714514109 1179178434 /nfs/dbraw/zinc/17/84/34/1179178434.db2.gz SAPBKZWOAFVBCF-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001715007183 1179504434 /nfs/dbraw/zinc/50/44/34/1179504434.db2.gz AXJCIEHNUMMKPT-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CC(=C)C)CC1 ZINC001715710733 1179770663 /nfs/dbraw/zinc/77/06/63/1179770663.db2.gz XQZWDVHOWXBHQT-HNNXBMFYSA-N 2 0 291.439 1.392 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001715729516 1179781939 /nfs/dbraw/zinc/78/19/39/1179781939.db2.gz MTLSBZZPYJWNOQ-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001715909836 1179909174 /nfs/dbraw/zinc/90/91/74/1179909174.db2.gz BTVYRTMJSXGYFM-IYKSTZQJSA-N 2 0 279.428 1.555 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001715914241 1179910652 /nfs/dbraw/zinc/91/06/52/1179910652.db2.gz PKDBGNVUIXWFPU-KJPDOMRESA-N 2 0 293.455 1.945 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001716009661 1179981790 /nfs/dbraw/zinc/98/17/90/1179981790.db2.gz RQFRVWMWJUWPJI-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001716987636 1180493274 /nfs/dbraw/zinc/49/32/74/1180493274.db2.gz MYJJTORTSFBJFI-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001717282836 1180603487 /nfs/dbraw/zinc/60/34/87/1180603487.db2.gz FGVFTZRTIUAGBY-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001717370079 1180633858 /nfs/dbraw/zinc/63/38/58/1180633858.db2.gz RYAMYOKQMOQJPE-LSDHHAIUSA-N 2 0 279.428 1.580 10 30 CDEERP C=CCOCC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001717437357 1180672389 /nfs/dbraw/zinc/67/23/89/1180672389.db2.gz FJOCVLIZOIELIF-KGLIPLIRSA-N 2 0 297.443 1.014 10 30 CDEERP C=CCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001717585358 1180750402 /nfs/dbraw/zinc/75/04/02/1180750402.db2.gz PLYWBRBIEHOIJS-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001717800967 1180861705 /nfs/dbraw/zinc/86/17/05/1180861705.db2.gz DGVAFQDDLYZOOE-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001717801747 1180863442 /nfs/dbraw/zinc/86/34/42/1180863442.db2.gz HZLCRWSWMSFPAQ-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001722917218 1181494480 /nfs/dbraw/zinc/49/44/80/1181494480.db2.gz RJUCGWGEWJKMBV-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001723907070 1181622608 /nfs/dbraw/zinc/62/26/08/1181622608.db2.gz ZJHBMCITGUQYOY-HNNXBMFYSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724543957 1181692703 /nfs/dbraw/zinc/69/27/03/1181692703.db2.gz ILHCOXLNZBZGCO-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001724628249 1181707933 /nfs/dbraw/zinc/70/79/33/1181707933.db2.gz QNPCOXKZEJXIBP-IYBDPMFKSA-N 2 0 293.455 1.683 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001724709629 1181731771 /nfs/dbraw/zinc/73/17/71/1181731771.db2.gz VKXHOEWBSSIPQB-BZUAXINKSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725234149 1181930745 /nfs/dbraw/zinc/93/07/45/1181930745.db2.gz LPRWEHDNHSONTH-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725384030 1181982948 /nfs/dbraw/zinc/98/29/48/1181982948.db2.gz DDBVFAUPPDTFKL-GDBMZVCRSA-N 2 0 291.439 1.226 10 30 CDEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001725468115 1182010423 /nfs/dbraw/zinc/01/04/23/1182010423.db2.gz RFESCOYIKSYGQO-HNNXBMFYSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001725792676 1182133517 /nfs/dbraw/zinc/13/35/17/1182133517.db2.gz KEXRAZAANTYYKK-CQSZACIVSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001731635293 1182494002 /nfs/dbraw/zinc/49/40/02/1182494002.db2.gz UTZVQVPKQJHVTG-KGLIPLIRSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001731703808 1182522911 /nfs/dbraw/zinc/52/29/11/1182522911.db2.gz QSYQQFBWHWVUFZ-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCCC[N@H+](CC=C)C(C)C ZINC001732009246 1182723839 /nfs/dbraw/zinc/72/38/39/1182723839.db2.gz LINKZMCMGLLXLP-INIZCTEOSA-N 2 0 291.439 1.487 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001732076368 1182752753 /nfs/dbraw/zinc/75/27/53/1182752753.db2.gz PLWDVXXPVDUJJU-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH2+]C[C@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001732250895 1182883853 /nfs/dbraw/zinc/88/38/53/1182883853.db2.gz HBTNEMDZFZNMQQ-YOEHRIQHSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001732582511 1183026015 /nfs/dbraw/zinc/02/60/15/1183026015.db2.gz PLCMHGOPRZRXIO-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001733525123 1183456582 /nfs/dbraw/zinc/45/65/82/1183456582.db2.gz BCBBBORPXWPWNA-KGLIPLIRSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001733772372 1183528882 /nfs/dbraw/zinc/52/88/82/1183528882.db2.gz BNQMSBFMTCNICS-HUUCEWRRSA-N 2 0 281.444 1.683 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001733852830 1183550656 /nfs/dbraw/zinc/55/06/56/1183550656.db2.gz WGCLUDCJDAFUOV-CABCVRRESA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001733933089 1183573201 /nfs/dbraw/zinc/57/32/01/1183573201.db2.gz SMAOIBRJWFNEDU-OAHLLOKOSA-N 2 0 291.439 1.724 10 30 CDEERP CC#CC[NH2+]C[C@H](CCCC)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001734098544 1183657877 /nfs/dbraw/zinc/65/78/77/1183657877.db2.gz YIMXXGIBIRVUSW-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001734127132 1183668453 /nfs/dbraw/zinc/66/84/53/1183668453.db2.gz XYODNDOMYFWARH-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001734172075 1183681991 /nfs/dbraw/zinc/68/19/91/1183681991.db2.gz ITKGPBYMZZRCJZ-PHZGNYQRSA-N 2 0 291.439 1.036 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001734299940 1183719451 /nfs/dbraw/zinc/71/94/51/1183719451.db2.gz GKEWAMSPSUJXGX-JKSUJKDBSA-N 2 0 293.455 1.872 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001627276576 1165986793 /nfs/dbraw/zinc/98/67/93/1165986793.db2.gz WEXFFEZECVTNHQ-OAGGEKHMSA-N 2 0 293.455 1.968 10 30 CDEERP C[N@@H+]1CCC[C@H]2CN(Cc3cncc(C#N)c3)CC[C@H]21 ZINC000721571024 836673944 /nfs/dbraw/zinc/67/39/44/836673944.db2.gz AWSJZKOHPIZHBD-JKSUJKDBSA-N 2 0 270.380 1.869 10 30 CDEERP CC(C)C[N@H+](C[C@H](O)CC#N)CC1CC[NH+](C)CC1 ZINC000931564147 836846756 /nfs/dbraw/zinc/84/67/56/836846756.db2.gz KTUXHEBIRHRSKQ-OAHLLOKOSA-N 2 0 267.417 1.561 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000876919399 837864990 /nfs/dbraw/zinc/86/49/90/837864990.db2.gz VSMGYFIVTGEFQW-KBPBESRZSA-N 2 0 293.798 1.629 10 30 CDEERP C[NH+]=C(NC[C@@H]1CCOC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000261614492 838088478 /nfs/dbraw/zinc/08/84/78/838088478.db2.gz BCIZFLAMYNVSNI-GJZGRUSLSA-N 2 0 294.443 1.159 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000876913286 838224978 /nfs/dbraw/zinc/22/49/78/838224978.db2.gz PSFNZXBFOFJXSM-RWMBFGLXSA-N 2 0 285.819 1.447 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000876773746 838989646 /nfs/dbraw/zinc/98/96/46/838989646.db2.gz XAIVGXUSVJIOOK-OLZOCXBDSA-N 2 0 287.835 1.647 10 30 CDEERP C=CC[C@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879594240 839304659 /nfs/dbraw/zinc/30/46/59/839304659.db2.gz BZZSQSTTYPMWOW-AWEZNQCLSA-N 2 0 251.418 1.663 10 30 CDEERP C[C@@H]1C[NH+](CCCNC(=[NH2+])NC2CCCCC2)C[C@@H](C)O1 ZINC000303788884 839981657 /nfs/dbraw/zinc/98/16/57/839981657.db2.gz UVVHOHAHFSPPNC-ZIAGYGMSSA-N 2 0 296.459 1.723 10 30 CDEERP N#CC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000809572514 840739073 /nfs/dbraw/zinc/73/90/73/840739073.db2.gz OMQSILCYQNNQFW-CQSZACIVSA-N 2 0 251.374 1.069 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C1CCC([NH3+])CC1 ZINC000876539960 841220353 /nfs/dbraw/zinc/22/03/53/841220353.db2.gz CKOLMCXTUOSFAY-ILDUYXDCSA-N 2 0 259.781 1.185 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)CCC[NH2+]1 ZINC000877451782 841272476 /nfs/dbraw/zinc/27/24/76/841272476.db2.gz QFQLSAWEYGCRNS-IJEWVQPXSA-N 2 0 277.412 1.380 10 30 CDEERP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000930903723 841800327 /nfs/dbraw/zinc/80/03/27/841800327.db2.gz ORZZRPBUWXLYRC-GPANFISMSA-N 2 0 279.428 1.705 10 30 CDEERP Cc1cccc(NC(=[NH2+])NCCCC[NH+]2CCOCC2)c1 ZINC000303882545 842316844 /nfs/dbraw/zinc/31/68/44/842316844.db2.gz IENDKVQAOWNDDB-UHFFFAOYSA-N 2 0 290.411 1.834 10 30 CDEERP C#CC[N@H+](C)CCCN[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000926489879 842869255 /nfs/dbraw/zinc/86/92/55/842869255.db2.gz LFHZNADMMUBIQU-JKSUJKDBSA-N 2 0 263.429 1.548 10 30 CDEERP Cn1cncc1CC[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371713 842907842 /nfs/dbraw/zinc/90/78/42/842907842.db2.gz QSBVRIIQYGGWQP-MRXNPFEDSA-N 2 0 284.363 1.500 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001570653069 1167581154 /nfs/dbraw/zinc/58/11/54/1167581154.db2.gz MQWBGDNPIMBMLW-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001571356931 1167591117 /nfs/dbraw/zinc/59/11/17/1167591117.db2.gz BGTLMUMRMVLXFE-UONOGXRCSA-N 2 0 265.401 1.093 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001565844011 1168182461 /nfs/dbraw/zinc/18/24/61/1168182461.db2.gz LDFTVPRJSXLAAT-BETUJISGSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001566693033 1168388511 /nfs/dbraw/zinc/38/85/11/1168388511.db2.gz NWPYROZICHNTSM-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001566826381 1168434326 /nfs/dbraw/zinc/43/43/26/1168434326.db2.gz GZCHBGSQARQMJV-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001566826379 1168434588 /nfs/dbraw/zinc/43/45/88/1168434588.db2.gz GZCHBGSQARQMJV-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)CCc1nccn1C ZINC001483668234 912444719 /nfs/dbraw/zinc/44/47/19/912444719.db2.gz TXTUMONPAPATFL-AWEZNQCLSA-N 2 0 290.411 1.509 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001567281787 1168656418 /nfs/dbraw/zinc/65/64/18/1168656418.db2.gz GDHARHAAODWTTA-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001272474528 913180095 /nfs/dbraw/zinc/18/00/95/913180095.db2.gz HSFZXFFCOKOPRI-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001272533651 913385023 /nfs/dbraw/zinc/38/50/23/913385023.db2.gz HJVINSIDOIBFSQ-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001266399253 894702257 /nfs/dbraw/zinc/70/22/57/894702257.db2.gz PSHKRKCSOYWPFH-AWEZNQCLSA-N 2 0 290.411 1.460 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266463318 894986253 /nfs/dbraw/zinc/98/62/53/894986253.db2.gz JBPRRLUJYSLERU-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266473018 895013393 /nfs/dbraw/zinc/01/33/93/895013393.db2.gz UXPZVDMFJCTDCU-INIZCTEOSA-N 2 0 291.439 1.276 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001266557113 895349748 /nfs/dbraw/zinc/34/97/48/895349748.db2.gz OSEVKIMMHWJDFD-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001266915636 896334652 /nfs/dbraw/zinc/33/46/52/896334652.db2.gz BBPULOYYONYNEX-GPANFISMSA-N 2 0 293.455 1.613 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001266976565 896476633 /nfs/dbraw/zinc/47/66/33/896476633.db2.gz XQRDJXLXWVBWDA-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267308046 897551509 /nfs/dbraw/zinc/55/15/09/897551509.db2.gz YTRZWRWOYQDHLL-CVEARBPZSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001480935780 897754928 /nfs/dbraw/zinc/75/49/28/897754928.db2.gz RUYATGKZSYXEOL-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001480938926 897810242 /nfs/dbraw/zinc/81/02/42/897810242.db2.gz OOHUWQNCLDUQSR-AWEZNQCLSA-N 2 0 269.433 1.587 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)CC)C1 ZINC001267548541 898325583 /nfs/dbraw/zinc/32/55/83/898325583.db2.gz HWFWDNZVQYGVQZ-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001481095317 898810410 /nfs/dbraw/zinc/81/04/10/898810410.db2.gz HQCZOIQDRBZLQL-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481114470 898889265 /nfs/dbraw/zinc/88/92/65/898889265.db2.gz MYPWRBXCBRKEDG-OAHLLOKOSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267680895 899266761 /nfs/dbraw/zinc/26/67/61/899266761.db2.gz AUMUKDYXTLLDPW-UKRRQHHQSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001267926498 899985070 /nfs/dbraw/zinc/98/50/70/899985070.db2.gz RHOGBAFTYDSGBQ-SHTZXODSSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268003941 900254926 /nfs/dbraw/zinc/25/49/26/900254926.db2.gz BOKBSFYGWLIPBT-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268104582 901298978 /nfs/dbraw/zinc/29/89/78/901298978.db2.gz JMFGGNQTGMPLKL-KGLIPLIRSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481706390 901864384 /nfs/dbraw/zinc/86/43/84/901864384.db2.gz VOQIUVBPWPQAFA-ZNMIVQPWSA-N 2 0 281.444 1.872 10 30 CDEERP C#CCC[NH+]1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001268910906 903234103 /nfs/dbraw/zinc/23/41/03/903234103.db2.gz GHHIUIVIFOQNMY-UHFFFAOYSA-N 2 0 291.439 1.324 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001269601105 903965680 /nfs/dbraw/zinc/96/56/80/903965680.db2.gz CXNJEWJEOMMYAC-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001269980844 904247845 /nfs/dbraw/zinc/24/78/45/904247845.db2.gz ICGXEFZNLQGHJM-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001270035957 904292010 /nfs/dbraw/zinc/29/20/10/904292010.db2.gz JPRILVZSWAHVBL-SHTZXODSSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001270443522 904639970 /nfs/dbraw/zinc/63/99/70/904639970.db2.gz HZBHKPGBIUFXFM-HZPDHXFCSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482392894 905289901 /nfs/dbraw/zinc/28/99/01/905289901.db2.gz JXPGFXFBKVGMAB-HOTGVXAUSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001567861042 1169027189 /nfs/dbraw/zinc/02/71/89/1169027189.db2.gz HNEMREHBKFGMAR-ILXRZTDVSA-N 2 0 279.428 1.578 10 30 CDEERP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001271254199 906210524 /nfs/dbraw/zinc/21/05/24/906210524.db2.gz MFDAPISPVYQCEO-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001271528947 906504168 /nfs/dbraw/zinc/50/41/68/906504168.db2.gz DASCIZBPZAMHMW-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)C ZINC001271846421 906889774 /nfs/dbraw/zinc/88/97/74/906889774.db2.gz PXTCJRVFJDKAHJ-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001568033834 1169124028 /nfs/dbraw/zinc/12/40/28/1169124028.db2.gz JUMXEAZDPBNCHN-KRWDZBQOSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001568077089 1169132666 /nfs/dbraw/zinc/13/26/66/1169132666.db2.gz WIRQGNNFOJFPQD-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001568106277 1169137299 /nfs/dbraw/zinc/13/72/99/1169137299.db2.gz QJSGRUXDJTYEDD-RBSFLKMASA-N 2 0 279.428 1.367 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483945819 915220616 /nfs/dbraw/zinc/22/06/16/915220616.db2.gz IOJPZBNJYCUYRZ-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)C2 ZINC001484390860 915709752 /nfs/dbraw/zinc/70/97/52/915709752.db2.gz VGDYDXCICHBYBY-MUJYYYPQSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001485499495 917034972 /nfs/dbraw/zinc/03/49/72/917034972.db2.gz ZGIPCMSLCHKOGX-HIFRSBDPSA-N 2 0 279.428 1.483 10 30 CDEERP C#CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001485586863 917114097 /nfs/dbraw/zinc/11/40/97/917114097.db2.gz QTFADQWEAWJOQV-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001486219050 920830236 /nfs/dbraw/zinc/83/02/36/920830236.db2.gz QMNIBDFMQPWZOD-ZIAGYGMSSA-N 2 0 290.411 1.711 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001568308781 1169236572 /nfs/dbraw/zinc/23/65/72/1169236572.db2.gz HKMNJIQCVIKTNU-AWEZNQCLSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001273560685 921015487 /nfs/dbraw/zinc/01/54/87/921015487.db2.gz PVOAMNNGDAAIOB-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001568346127 1169255954 /nfs/dbraw/zinc/25/59/54/1169255954.db2.gz ZCISLAPPOMCNRF-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923329794 923741327 /nfs/dbraw/zinc/74/13/27/923741327.db2.gz OYCOFEUHNBORRN-QLFBSQMISA-N 2 0 252.402 1.778 10 30 CDEERP C=CC[NH2+]C1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001491371823 936900104 /nfs/dbraw/zinc/90/01/04/936900104.db2.gz WXCDJLRUAJZLRJ-UHFFFAOYSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001488851544 926720998 /nfs/dbraw/zinc/72/09/98/926720998.db2.gz PQHUNQQJQGROHM-HAQNSBGRSA-N 2 0 273.808 1.175 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001490309714 927109845 /nfs/dbraw/zinc/10/98/45/927109845.db2.gz MUTZXESPYYUTDM-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001490741619 927316050 /nfs/dbraw/zinc/31/60/50/927316050.db2.gz JUAGCIDDEDKFIT-HOTGVXAUSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001568470855 1169304128 /nfs/dbraw/zinc/30/41/28/1169304128.db2.gz XGLOSRRKBPVYJI-HZPDHXFCSA-N 2 0 293.455 1.470 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275558779 931876958 /nfs/dbraw/zinc/87/69/58/931876958.db2.gz FOTDNKHCRJHULW-MGPQQGTHSA-N 2 0 267.417 1.339 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001275815503 932059372 /nfs/dbraw/zinc/05/93/72/932059372.db2.gz HRESPADKFUVCTJ-HOTGVXAUSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001568551620 1169364134 /nfs/dbraw/zinc/36/41/34/1169364134.db2.gz MDUZBHWELOKIHX-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001671246878 1169454792 /nfs/dbraw/zinc/45/47/92/1169454792.db2.gz YPACZGCATJOILX-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C=CCCCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001276970056 941750451 /nfs/dbraw/zinc/75/04/51/941750451.db2.gz LQZKOIHUPIUDFS-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001277060349 941892513 /nfs/dbraw/zinc/89/25/13/941892513.db2.gz NATROGHKYSVBOM-CQSZACIVSA-N 2 0 279.428 1.674 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001277193422 942158456 /nfs/dbraw/zinc/15/84/56/942158456.db2.gz GQGVOLQUUWIVNH-QLFBSQMISA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001281687107 942608949 /nfs/dbraw/zinc/60/89/49/942608949.db2.gz UGSAARJMQUKESM-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001282425919 942711236 /nfs/dbraw/zinc/71/12/36/942711236.db2.gz SHHKXCQBLHOFLM-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001282738160 942746689 /nfs/dbraw/zinc/74/66/89/942746689.db2.gz PGXDEUDJRMJHJQ-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277663376 943268423 /nfs/dbraw/zinc/26/84/23/943268423.db2.gz WKRQOXRXKUPUOC-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n1ccnc1CC ZINC001277825496 943717170 /nfs/dbraw/zinc/71/71/70/943717170.db2.gz BSDZHXIEJYGCQR-UONOGXRCSA-N 2 0 290.411 1.466 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001263861640 944011234 /nfs/dbraw/zinc/01/12/34/944011234.db2.gz IGQDFDBYHDPHPM-BPUTZDHNSA-N 2 0 291.439 1.389 10 30 CDEERP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001263905292 944025913 /nfs/dbraw/zinc/02/59/13/944025913.db2.gz SWMZDBAPXZRQPE-XHSDSOJGSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001264185687 944096249 /nfs/dbraw/zinc/09/62/49/944096249.db2.gz HOGUHPTUIIGNNN-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001277954175 944205936 /nfs/dbraw/zinc/20/59/36/944205936.db2.gz NHQHPIMJJDRPEK-JKSUJKDBSA-N 2 0 293.455 1.709 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001265363115 944360658 /nfs/dbraw/zinc/36/06/58/944360658.db2.gz ZDXWDUPCXRXAAR-HNNXBMFYSA-N 2 0 289.423 1.123 10 30 CDEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001265408098 944376294 /nfs/dbraw/zinc/37/62/94/944376294.db2.gz AXHVUMACNLRZJU-OWCLPIDISA-N 2 0 293.455 1.968 10 30 CDEERP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265655913 944458267 /nfs/dbraw/zinc/45/82/67/944458267.db2.gz RQWIDGSWOSAQRI-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001265847793 944539450 /nfs/dbraw/zinc/53/94/50/944539450.db2.gz BOPVAZKBVPHTDE-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001265932373 944581254 /nfs/dbraw/zinc/58/12/54/944581254.db2.gz LVPRVLIJPKIUHH-HOTGVXAUSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266116340 944689575 /nfs/dbraw/zinc/68/95/75/944689575.db2.gz JQCSQSLXMGXKAI-HOTGVXAUSA-N 2 0 293.455 1.519 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001479968262 971515457 /nfs/dbraw/zinc/51/54/57/971515457.db2.gz DITQQDQKIQHCTL-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480057968 971559392 /nfs/dbraw/zinc/55/93/92/971559392.db2.gz BPOSNOCAGCTCNX-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001480536328 971774026 /nfs/dbraw/zinc/77/40/26/971774026.db2.gz FMCCMZAIQZVAIM-ZDUSSCGKSA-N 2 0 269.433 1.635 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001480624747 971814558 /nfs/dbraw/zinc/81/45/58/971814558.db2.gz PKSGLDPOIZJXHM-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001493109749 971951806 /nfs/dbraw/zinc/95/18/06/971951806.db2.gz HSUCWXYBBTZHRC-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001326736399 954518040 /nfs/dbraw/zinc/51/80/40/954518040.db2.gz OLSJOHCFWFUICB-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001327258854 954798115 /nfs/dbraw/zinc/79/81/15/954798115.db2.gz UZQLCOGEHRFPMY-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001328049053 955174523 /nfs/dbraw/zinc/17/45/23/955174523.db2.gz FCTOVWGBAUACLR-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001328647547 955394068 /nfs/dbraw/zinc/39/40/68/955394068.db2.gz NENNWBYECZEQGI-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001491849841 955466597 /nfs/dbraw/zinc/46/65/97/955466597.db2.gz NIZFNEKZGXFMDC-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001421996736 955693605 /nfs/dbraw/zinc/69/36/05/955693605.db2.gz XAWBGWVOHQQTEJ-LBPRGKRZSA-N 2 0 273.808 1.271 10 30 CDEERP C=CCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001492383653 955847548 /nfs/dbraw/zinc/84/75/48/955847548.db2.gz GRMBAEKWAZVAKI-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001493902973 972135033 /nfs/dbraw/zinc/13/50/33/972135033.db2.gz GMHKBJYFGXPXRD-IRXDYDNUSA-N 2 0 299.418 1.409 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001329441495 955916604 /nfs/dbraw/zinc/91/66/04/955916604.db2.gz NGLLJPGLSFXHPK-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001317276835 956013662 /nfs/dbraw/zinc/01/36/62/956013662.db2.gz TUGINZMYCOVDMT-CYBMUJFWSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317121520 957286978 /nfs/dbraw/zinc/28/69/78/957286978.db2.gz JNNVKSZZRXAIIW-IYBDPMFKSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001317256576 957383834 /nfs/dbraw/zinc/38/38/34/957383834.db2.gz CKBDNBKGZAODNP-ZDUSSCGKSA-N 2 0 265.401 1.285 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317350218 957433594 /nfs/dbraw/zinc/43/35/94/957433594.db2.gz KDCZSPDSMLRWIB-ZIAGYGMSSA-N 2 0 277.412 1.121 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001317414959 957461568 /nfs/dbraw/zinc/46/15/68/957461568.db2.gz GEXZYSSSBCGCCW-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317435275 957468240 /nfs/dbraw/zinc/46/82/40/957468240.db2.gz QVOIDFVAOLIRFF-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001317679659 957636373 /nfs/dbraw/zinc/63/63/73/957636373.db2.gz YEZKTNIMZZBLMB-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC001317728576 957649454 /nfs/dbraw/zinc/64/94/54/957649454.db2.gz NTGPOHDZTOBKBQ-MRXNPFEDSA-N 2 0 289.423 1.960 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001494775838 972307058 /nfs/dbraw/zinc/30/70/58/972307058.db2.gz XAHNRCCVNQROEW-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001318726476 958245228 /nfs/dbraw/zinc/24/52/28/958245228.db2.gz IMZXFUZJCMFLKS-INIZCTEOSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001319539097 958619419 /nfs/dbraw/zinc/61/94/19/958619419.db2.gz DUNDLIRGZPZOTO-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001320041713 958900320 /nfs/dbraw/zinc/90/03/20/958900320.db2.gz HLWAVGOPNWBQKL-UHFFFAOYSA-N 2 0 283.460 1.931 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320154353 958974114 /nfs/dbraw/zinc/97/41/14/958974114.db2.gz NPLSIAWTJIMEBR-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001495095455 972406510 /nfs/dbraw/zinc/40/65/10/972406510.db2.gz WIOILKHOMFPDIJ-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001320643642 959288588 /nfs/dbraw/zinc/28/85/88/959288588.db2.gz HLNJCFPOHIDENK-HNNXBMFYSA-N 2 0 279.428 1.370 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001321567691 959854305 /nfs/dbraw/zinc/85/43/05/959854305.db2.gz LLCVFFXKSGOYOK-GFCCVEGCSA-N 2 0 286.379 1.927 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001322693072 960298031 /nfs/dbraw/zinc/29/80/31/960298031.db2.gz BLIWXWWISVTJAY-INIZCTEOSA-N 2 0 297.418 1.270 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001495432357 972497927 /nfs/dbraw/zinc/49/79/27/972497927.db2.gz HYRPMNNRRVYAFY-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001322998890 960397494 /nfs/dbraw/zinc/39/74/94/960397494.db2.gz DJTVSAWBAFODGR-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001324261043 961269025 /nfs/dbraw/zinc/26/90/25/961269025.db2.gz NZEMVVWCMAIUQD-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001420014256 962367783 /nfs/dbraw/zinc/36/77/83/962367783.db2.gz MALXCKFNRGRMMA-STQMWFEESA-N 2 0 285.819 1.129 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001569363222 1169805091 /nfs/dbraw/zinc/80/50/91/1169805091.db2.gz OVNLDMNTEBRDFF-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@](C)(C[NH3+])CC(C)C)CC1 ZINC001340077884 962729440 /nfs/dbraw/zinc/72/94/40/962729440.db2.gz SQMVORKDKXKTJJ-MRXNPFEDSA-N 2 0 281.444 1.764 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001340982976 963220680 /nfs/dbraw/zinc/22/06/80/963220680.db2.gz IXTNAUQHSVHHKH-GDBMZVCRSA-N 2 0 279.428 1.662 10 30 CDEERP C=CC[C@@]1(C(=O)NC2CC3(CC([NH3+])C3)C2)CCC[NH2+]1 ZINC001343429197 963979987 /nfs/dbraw/zinc/97/99/87/963979987.db2.gz FWKYKRQCKZGZGG-QEOVQVNQSA-N 2 0 263.385 1.071 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001344652733 964390180 /nfs/dbraw/zinc/39/01/80/964390180.db2.gz QFUXYXIGBZPGHE-UPJWGTAASA-N 2 0 253.390 1.032 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001441374512 964481925 /nfs/dbraw/zinc/48/19/25/964481925.db2.gz YXNAFMGCXLQYRQ-JOCQHMNTSA-N 2 0 299.846 1.565 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CCC[NH2+]1 ZINC001345140295 964596392 /nfs/dbraw/zinc/59/63/92/964596392.db2.gz XXXGXMZSVGZKED-JKSUJKDBSA-N 2 0 277.412 1.429 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001445118056 966107511 /nfs/dbraw/zinc/10/75/11/966107511.db2.gz RPDRSNZJMORHGG-KBPBESRZSA-N 2 0 299.846 1.709 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC001543370653 967294118 /nfs/dbraw/zinc/29/41/18/967294118.db2.gz FXACDKOUBCSUKT-MRXNPFEDSA-N 2 0 289.423 1.393 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)CCC[NH2+]1 ZINC001354957246 968978326 /nfs/dbraw/zinc/97/83/26/968978326.db2.gz KZOZKMMKRHTJKP-BMFZPTHFSA-N 2 0 277.412 1.333 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001371832334 972652328 /nfs/dbraw/zinc/65/23/28/972652328.db2.gz KCOOECRCBBAIHQ-DGCLKSJQSA-N 2 0 287.835 1.565 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001495963481 972721849 /nfs/dbraw/zinc/72/18/49/972721849.db2.gz YDIPXNIFNBYQNM-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001496707317 973058417 /nfs/dbraw/zinc/05/84/17/973058417.db2.gz PJSDUKWCOCVFDT-UONOGXRCSA-N 2 0 267.417 1.293 10 30 CDEERP C=C(Cl)CN(C)CCN(C)C(=O)CC[NH+](C)C ZINC001496778245 973089990 /nfs/dbraw/zinc/08/99/90/973089990.db2.gz TYZIJNATRANDMX-UHFFFAOYSA-N 2 0 261.797 1.081 10 30 CDEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001569662094 1169959855 /nfs/dbraw/zinc/95/98/55/1169959855.db2.gz OISNMXPLTYBABP-DOTOQJQBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497699452 973468441 /nfs/dbraw/zinc/46/84/41/973468441.db2.gz CZFIEROOAGUCNJ-AATRIKPKSA-N 2 0 285.391 1.257 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001497728682 973480890 /nfs/dbraw/zinc/48/08/90/973480890.db2.gz BVNVMJWLCGMAIW-DOOKAGJSSA-N 2 0 299.418 1.575 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498415311 973898697 /nfs/dbraw/zinc/89/86/97/973898697.db2.gz LHQMIGKVXLWSOE-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001498490223 973945182 /nfs/dbraw/zinc/94/51/82/973945182.db2.gz NLGIKBBFGXFTFQ-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001500396338 974430879 /nfs/dbraw/zinc/43/08/79/974430879.db2.gz ASNZRSYISWADBR-MRXNPFEDSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001501569380 974601479 /nfs/dbraw/zinc/60/14/79/974601479.db2.gz XJAFMORTFFITNG-RBSFLKMASA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001501579182 974602512 /nfs/dbraw/zinc/60/25/12/974602512.db2.gz ZGIYDRQPXBHJQB-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001501710459 974628281 /nfs/dbraw/zinc/62/82/81/974628281.db2.gz LGJSLACLJIHLCF-SHTZXODSSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001502143423 974704647 /nfs/dbraw/zinc/70/46/47/974704647.db2.gz RGHKSHPXRQIJLR-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001502547782 974749692 /nfs/dbraw/zinc/74/96/92/974749692.db2.gz FAXIAFCHILXHGA-QGZVFWFLSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001502805590 974787544 /nfs/dbraw/zinc/78/75/44/974787544.db2.gz MDBNZOMCLKEPPX-UHFFFAOYSA-N 2 0 291.439 1.629 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001503312216 974819113 /nfs/dbraw/zinc/81/91/13/974819113.db2.gz HZJBJFFGVDMACZ-ZDUSSCGKSA-N 2 0 298.390 1.764 10 30 CDEERP C=CC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001506864380 975238180 /nfs/dbraw/zinc/23/81/80/975238180.db2.gz DQHKZCNOMXIFME-UHFFFAOYSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001404513359 975410988 /nfs/dbraw/zinc/41/09/88/975410988.db2.gz KQVAENVEVZURMO-ZDUSSCGKSA-N 2 0 287.835 1.519 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001507904174 975563505 /nfs/dbraw/zinc/56/35/05/975563505.db2.gz SBEPFUVKQVWOPR-STQMWFEESA-N 2 0 267.417 1.387 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001380156645 976269173 /nfs/dbraw/zinc/26/91/73/976269173.db2.gz FEWBISKPRAJRCH-UHFFFAOYSA-N 2 0 283.803 1.073 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001492974769 976941305 /nfs/dbraw/zinc/94/13/05/976941305.db2.gz QXHMPVOYWFNWNG-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001400798713 977195738 /nfs/dbraw/zinc/19/57/38/977195738.db2.gz GUBIFWRANKGVLH-ZIAGYGMSSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001569881690 1170026906 /nfs/dbraw/zinc/02/69/06/1170026906.db2.gz MMHLQAGZCOIWPD-IYBDPMFKSA-N 2 0 293.455 1.685 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001674491111 1173954634 /nfs/dbraw/zinc/95/46/34/1173954634.db2.gz KUAZRSLBFLIWRR-OAHLLOKOSA-N 2 0 289.423 1.028 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001674672182 1173985531 /nfs/dbraw/zinc/98/55/31/1173985531.db2.gz DZZKUMBNUVWXLI-OLZOCXBDSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001676222656 1174193970 /nfs/dbraw/zinc/19/39/70/1174193970.db2.gz WKFOWUQALRHPKQ-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001570545737 1170185605 /nfs/dbraw/zinc/18/56/05/1170185605.db2.gz WZZTWSDYFANCRG-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001570897457 1170312865 /nfs/dbraw/zinc/31/28/65/1170312865.db2.gz RRNWOUOKWBGOBN-CQSZACIVSA-N 2 0 279.428 1.483 10 30 CDEERP N#CCCC[C@@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000592112312 342666070 /nfs/dbraw/zinc/66/60/70/342666070.db2.gz KTJRKYUXXODSOU-CYBMUJFWSA-N 2 0 284.323 1.227 10 30 CDEERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594438764 342906388 /nfs/dbraw/zinc/90/63/88/342906388.db2.gz WWJPEXCPXPSLGY-KGLIPLIRSA-N 2 0 280.416 1.340 10 30 CDEERP CC(C)C[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594446822 342908654 /nfs/dbraw/zinc/90/86/54/342908654.db2.gz XMDOEKXXXOBNBQ-CQSZACIVSA-N 2 0 280.416 1.198 10 30 CDEERP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600721074 342244727 /nfs/dbraw/zinc/24/47/27/342244727.db2.gz KUJGAIRPKWGVSJ-ZIAGYGMSSA-N 2 0 265.401 1.363 10 30 CDEERP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594424669 342904061 /nfs/dbraw/zinc/90/40/61/342904061.db2.gz HXBPEZQRTQSDAJ-GXTWGEPZSA-N 2 0 268.405 1.277 10 30 CDEERP CC(C)(C#N)C[C@@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000598723331 343884745 /nfs/dbraw/zinc/88/47/45/343884745.db2.gz GQKQPUJEHADVTE-YMAMQOFZSA-N 2 0 279.428 1.894 10 30 CDEERP N#CC1(c2ccc(C[NH2+]CCN3CC[C@@H](O)C3)cc2)CC1 ZINC000599010651 343939518 /nfs/dbraw/zinc/93/95/18/343939518.db2.gz UDLSWUJAIZLIJF-MRXNPFEDSA-N 2 0 285.391 1.398 10 30 CDEERP N#Cc1ccc(OCC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422995017 374366620 /nfs/dbraw/zinc/36/66/20/374366620.db2.gz WUXINSIJNNRSOY-HIFRSBDPSA-N 2 0 259.353 1.654 10 30 CDEERP CNC(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)=[NH+]C ZINC000366837639 378938100 /nfs/dbraw/zinc/93/81/00/378938100.db2.gz XVLWNRASKMTBAO-ZDUSSCGKSA-N 2 0 252.406 1.578 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001662675080 1172579766 /nfs/dbraw/zinc/57/97/66/1172579766.db2.gz FNYMUCHVKAARLH-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCCn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nn1 ZINC000655941418 412954445 /nfs/dbraw/zinc/95/44/45/412954445.db2.gz TUDGKKAWFJIBRI-LSDHHAIUSA-N 2 0 289.427 1.676 10 30 CDEERP C[NH+](C)CCCCNC(=O)c1cccc(C#CC[NH3+])c1 ZINC000041684928 184552904 /nfs/dbraw/zinc/55/29/04/184552904.db2.gz XLOIREYUKGHNFY-UHFFFAOYSA-N 2 0 273.380 1.068 10 30 CDEERP C=CC[C@@]1(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000662427496 413007067 /nfs/dbraw/zinc/00/70/67/413007067.db2.gz HZIKVAYYGDCRRT-HIFRSBDPSA-N 2 0 267.417 1.517 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001664187544 1172821458 /nfs/dbraw/zinc/82/14/58/1172821458.db2.gz YZJBHPSTLBAXDI-MRXNPFEDSA-N 2 0 297.418 1.270 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001664392019 1172847157 /nfs/dbraw/zinc/84/71/57/1172847157.db2.gz WHHDTHJNPKPBRP-UHFFFAOYSA-N 2 0 273.380 1.043 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCC[NH2+]1 ZINC000662688285 413316644 /nfs/dbraw/zinc/31/66/44/413316644.db2.gz NTXMNZWAWOXYJQ-IIAWOOMASA-N 2 0 277.412 1.428 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H](C[NH+](CC)CC)C2)CCC[NH2+]1 ZINC000662747523 413423407 /nfs/dbraw/zinc/42/34/07/413423407.db2.gz WTONAGWDMZFTBJ-NVXWUHKLSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001665592791 1173018342 /nfs/dbraw/zinc/01/83/42/1173018342.db2.gz WHKWVFVYCFHQDZ-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCC[NH2+]1 ZINC000662786244 413496596 /nfs/dbraw/zinc/49/65/96/413496596.db2.gz VKIWCOJJOJIPIU-HLLBOEOZSA-N 2 0 291.439 1.533 10 30 CDEERP C=C(C)CN(CC)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665636546 414322760 /nfs/dbraw/zinc/32/27/60/414322760.db2.gz BPDTXBOACWDHGB-HNNXBMFYSA-N 2 0 298.475 1.866 10 30 CDEERP CCC[N@H+](CCO)Cc1cc(C#CC[NH3+])cs1 ZINC000043688979 175095865 /nfs/dbraw/zinc/09/58/65/175095865.db2.gz KSWLRTHJJHKIEO-UHFFFAOYSA-N 2 0 252.383 1.263 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001666747362 1173182198 /nfs/dbraw/zinc/18/21/98/1173182198.db2.gz IPOHDRJUBUBNED-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCSCC1 ZINC000160812827 264262249 /nfs/dbraw/zinc/26/22/49/264262249.db2.gz FBSUVVHCFYVBIS-CQSZACIVSA-N 2 0 298.500 1.860 10 30 CDEERP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001667692812 1173312635 /nfs/dbraw/zinc/31/26/35/1173312635.db2.gz CZMMUVJEMCJAPK-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001671892941 1173720185 /nfs/dbraw/zinc/72/01/85/1173720185.db2.gz VQYMYGDSDTZLRJ-NVXWUHKLSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000177491112 329184553 /nfs/dbraw/zinc/18/45/53/329184553.db2.gz PLSRNMDAGQDQTG-GDBMZVCRSA-N 2 0 284.444 1.338 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CC2CC2)CC1 ZINC001482902976 1160643655 /nfs/dbraw/zinc/64/36/55/1160643655.db2.gz VVIMDMJNYDOJBI-AWEZNQCLSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001671736235 1161394023 /nfs/dbraw/zinc/39/40/23/1161394023.db2.gz QBPQRXIGJFGSPM-FMKPAKJESA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001716465737 1180225344 /nfs/dbraw/zinc/22/53/44/1180225344.db2.gz IOHBTMODKWURHV-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001732590472 1183033287 /nfs/dbraw/zinc/03/32/87/1183033287.db2.gz UUENMFUJFMZYAG-UHFFFAOYSA-N 2 0 267.417 1.295 10 30 CDEERP CC[NH+]1CCN(Cc2ccc(F)cc2C#CC[NH3+])CC1 ZINC000049608715 521687794 /nfs/dbraw/zinc/68/77/94/521687794.db2.gz WZNHERQHDLESTK-UHFFFAOYSA-N 2 0 275.371 1.273 10 30 CDEERP [NH3+]CC#Cc1ccc(OCC[N@@H+]2CCCSCC2)cc1 ZINC000049609936 527152521 /nfs/dbraw/zinc/15/25/21/527152521.db2.gz LNWGKAUMLBYLQA-UHFFFAOYSA-N 2 0 290.432 1.815 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001689298904 1175140771 /nfs/dbraw/zinc/14/07/71/1175140771.db2.gz WFCKLJQDSXUINV-ILXRZTDVSA-N 2 0 279.428 1.175 10 30 CDEERP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001690317325 1175434796 /nfs/dbraw/zinc/43/47/96/1175434796.db2.gz GBFXZXZXAKHHGN-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842625 613262901 /nfs/dbraw/zinc/26/29/01/613262901.db2.gz KUDDVCGKVBZOPH-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850881 617886787 /nfs/dbraw/zinc/88/67/87/617886787.db2.gz COFPTRLILHAPRL-BFHYXJOUSA-N 2 0 280.412 1.862 10 30 CDEERP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925859686 617898874 /nfs/dbraw/zinc/89/88/74/617898874.db2.gz XPOIJMHHBZTKTE-MCIONIFRSA-N 2 0 291.395 1.344 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000900827066 623536216 /nfs/dbraw/zinc/53/62/16/623536216.db2.gz DYKCHISAIMBVPM-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902729136 625277676 /nfs/dbraw/zinc/27/76/76/625277676.db2.gz FGJRPANNEZMAQV-CQSZACIVSA-N 2 0 287.411 1.241 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001691198062 1158953305 /nfs/dbraw/zinc/95/33/05/1158953305.db2.gz FQNCPLOMQPCPAQ-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001691196588 1158954734 /nfs/dbraw/zinc/95/47/34/1158954734.db2.gz VCFJXYSPSYASMS-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001691305863 1159007974 /nfs/dbraw/zinc/00/79/74/1159007974.db2.gz QASBRDSQUZWSAB-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266766690 1158814144 /nfs/dbraw/zinc/81/41/44/1158814144.db2.gz IPZKEMAKGAZLSG-JKSUJKDBSA-N 2 0 293.455 1.424 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001267994579 1159640032 /nfs/dbraw/zinc/64/00/32/1159640032.db2.gz SILXYYUQFNVNJR-CVEARBPZSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001732234662 1159766690 /nfs/dbraw/zinc/76/66/90/1159766690.db2.gz PRTKCWKYXGRWLM-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001482665019 1160594348 /nfs/dbraw/zinc/59/43/48/1160594348.db2.gz YOCUOQDDAUVBGD-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001700735375 1160798210 /nfs/dbraw/zinc/79/82/10/1160798210.db2.gz BHZMZRPUIXZTGA-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001670904000 1161347093 /nfs/dbraw/zinc/34/70/93/1161347093.db2.gz WJCOLKRWOHQZNL-UHFFFAOYSA-N 2 0 265.401 1.287 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000876844190 1165925783 /nfs/dbraw/zinc/92/57/83/1165925783.db2.gz WWLUPPNIUSBYSP-NSHDSACASA-N 2 0 297.761 1.880 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC001646166806 1167674905 /nfs/dbraw/zinc/67/49/05/1167674905.db2.gz BFVUATSIXFKWEO-ZDUSSCGKSA-N 2 0 299.846 1.933 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001646839447 1168183516 /nfs/dbraw/zinc/18/35/16/1168183516.db2.gz UOAHBNNBPSQXDB-RYUDHWBXSA-N 2 0 275.824 1.693 10 30 CDEERP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001566693180 1168388811 /nfs/dbraw/zinc/38/88/11/1168388811.db2.gz PPZSTNMLVPTJGQ-HUUCEWRRSA-N 2 0 291.439 1.177 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001566862414 1168447959 /nfs/dbraw/zinc/44/79/59/1168447959.db2.gz AGUYWPPEKZRMFK-QLFBSQMISA-N 2 0 279.428 1.530 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567127192 1168577735 /nfs/dbraw/zinc/57/77/35/1168577735.db2.gz FHTOQSLQXAHDNJ-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001647383989 1168633414 /nfs/dbraw/zinc/63/34/14/1168633414.db2.gz LDKMMQLIHHBFBK-GXTWGEPZSA-N 2 0 285.819 1.449 10 30 CDEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001568027921 1169123089 /nfs/dbraw/zinc/12/30/89/1169123089.db2.gz LINMFYZDMNMGRG-GOEBONIOSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001570092659 1170076540 /nfs/dbraw/zinc/07/65/40/1170076540.db2.gz BRHAFSQPYRCOCI-CQSZACIVSA-N 2 0 290.411 1.807 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001570805690 1170282409 /nfs/dbraw/zinc/28/24/09/1170282409.db2.gz HECOZVLSVJYJJF-UHFFFAOYSA-N 2 0 277.412 1.124 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001571661392 1170514574 /nfs/dbraw/zinc/51/45/74/1170514574.db2.gz MWWIURAQZUATCO-UHFFFAOYSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001661068885 1172331140 /nfs/dbraw/zinc/33/11/40/1172331140.db2.gz PQFJFVNZNSAXDQ-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001662791320 1172596613 /nfs/dbraw/zinc/59/66/13/1172596613.db2.gz OTIYZZPLVTZRHO-JKSUJKDBSA-N 2 0 293.455 1.759 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001673129250 1173827348 /nfs/dbraw/zinc/82/73/48/1173827348.db2.gz UFOPJMMUZNRYBH-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001677306422 1174346380 /nfs/dbraw/zinc/34/63/80/1174346380.db2.gz IHJYLKSAFZWEQA-CQSZACIVSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001690342060 1175443849 /nfs/dbraw/zinc/44/38/49/1175443849.db2.gz YLLCVAADXWHEOA-YUELXQCFSA-N 2 0 290.411 1.934 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001690862464 1175594074 /nfs/dbraw/zinc/59/40/74/1175594074.db2.gz FMIRKEUGPZTGSA-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001698604658 1175869255 /nfs/dbraw/zinc/86/92/55/1175869255.db2.gz PVGAOVRXZDXTNB-CYBMUJFWSA-N 2 0 286.379 1.927 10 30 CDEERP C#CC[N@@H+](C)CCN(C)C(=O)Cn1ccnc1C(C)C ZINC001698997591 1176029623 /nfs/dbraw/zinc/02/96/23/1176029623.db2.gz SFHNADARDMYZIM-UHFFFAOYSA-N 2 0 276.384 1.030 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001699018053 1176042432 /nfs/dbraw/zinc/04/24/32/1176042432.db2.gz VVYIHPLGHCDKEP-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699460901 1176424064 /nfs/dbraw/zinc/42/40/64/1176424064.db2.gz UVUALDXSHVNBAT-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001699861163 1176658685 /nfs/dbraw/zinc/65/86/85/1176658685.db2.gz FYSKLFIMTRFQIR-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001699978170 1176702722 /nfs/dbraw/zinc/70/27/22/1176702722.db2.gz TYFLSYSHFWKHAZ-MUJYYYPQSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001699973190 1176703531 /nfs/dbraw/zinc/70/35/31/1176703531.db2.gz QTAWEUXUVBOZAJ-CABCVRRESA-N 2 0 281.444 1.588 10 30 CDEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C ZINC001700090009 1176744698 /nfs/dbraw/zinc/74/46/98/1176744698.db2.gz HYQMVALQXPVSFY-QGZVFWFLSA-N 2 0 299.418 1.462 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001700128611 1176758082 /nfs/dbraw/zinc/75/80/82/1176758082.db2.gz JVNHUSOLYZBMLX-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001700190601 1176792705 /nfs/dbraw/zinc/79/27/05/1176792705.db2.gz HMLICAWXEHNFEP-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C#CCC[NH2+]C1(CC)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001700221719 1176806517 /nfs/dbraw/zinc/80/65/17/1176806517.db2.gz BDPMYRFACKWYPI-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001700317824 1176846996 /nfs/dbraw/zinc/84/69/96/1176846996.db2.gz MLJIJHXFZUWIIM-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@H]2C1 ZINC001700618362 1177036690 /nfs/dbraw/zinc/03/66/90/1177036690.db2.gz YEMQPSVWLVHWRR-JYJNAYRXSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001700751637 1177113781 /nfs/dbraw/zinc/11/37/81/1177113781.db2.gz JXAGBISMFFZQOB-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001713029902 1178316320 /nfs/dbraw/zinc/31/63/20/1178316320.db2.gz NGTIKACUEZKILI-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001713135756 1178390217 /nfs/dbraw/zinc/39/02/17/1178390217.db2.gz PRHSJBINZWFOST-INIZCTEOSA-N 2 0 293.455 1.522 10 30 CDEERP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713379954 1178529765 /nfs/dbraw/zinc/52/97/65/1178529765.db2.gz YBWWQLZDAHHJLU-LSDHHAIUSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[N@H+](CCC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001713551133 1178641289 /nfs/dbraw/zinc/64/12/89/1178641289.db2.gz BSQVWBQNEGXHPV-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001713739564 1178730694 /nfs/dbraw/zinc/73/06/94/1178730694.db2.gz FSNOMRMXCUBVPR-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001713824404 1178775582 /nfs/dbraw/zinc/77/55/82/1178775582.db2.gz DOHNTWNRXZLLOP-GJZGRUSLSA-N 2 0 299.434 1.823 10 30 CDEERP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001713900140 1178830933 /nfs/dbraw/zinc/83/09/33/1178830933.db2.gz QOVMNIBWDRLZTC-INIZCTEOSA-N 2 0 293.455 1.522 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001713925836 1178850037 /nfs/dbraw/zinc/85/00/37/1178850037.db2.gz OINRDVRAJVWRFK-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001713950696 1178881008 /nfs/dbraw/zinc/88/10/08/1178881008.db2.gz BTNZATUMJKXXEI-HDJSIYSDSA-N 2 0 276.384 1.545 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001713987073 1178910532 /nfs/dbraw/zinc/91/05/32/1178910532.db2.gz CEHPDHCHMVLIEA-XUWVNRHRSA-N 2 0 293.455 1.920 10 30 CDEERP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001714111479 1178978343 /nfs/dbraw/zinc/97/83/43/1178978343.db2.gz ZKVOJHWCHSARSO-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001714153085 1178993568 /nfs/dbraw/zinc/99/35/68/1178993568.db2.gz YKWFXKAWCSVKLQ-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001714290982 1179069211 /nfs/dbraw/zinc/06/92/11/1179069211.db2.gz IMAZAVUBWCZVJO-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714377786 1179112953 /nfs/dbraw/zinc/11/29/53/1179112953.db2.gz BXUGZMMWCYZCLK-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001714548487 1179205401 /nfs/dbraw/zinc/20/54/01/1179205401.db2.gz PKXQZMLEWJRGFZ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001714919551 1179452976 /nfs/dbraw/zinc/45/29/76/1179452976.db2.gz NSEYMBGYYQYQHK-HRCADAONSA-N 2 0 293.455 1.470 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001715426077 1179664561 /nfs/dbraw/zinc/66/45/61/1179664561.db2.gz LWOGCMMHXLYGFW-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001715544051 1179710597 /nfs/dbraw/zinc/71/05/97/1179710597.db2.gz IXFQCCHSUGPNSD-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001715835122 1179858974 /nfs/dbraw/zinc/85/89/74/1179858974.db2.gz NNPZAPODFWIAOD-ZPIQOJFGSA-N 2 0 279.428 1.699 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001716030230 1180005553 /nfs/dbraw/zinc/00/55/53/1180005553.db2.gz NVXRJMHSPCRYOA-HUUCEWRRSA-N 2 0 279.428 1.319 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001716249165 1180118988 /nfs/dbraw/zinc/11/89/88/1180118988.db2.gz RKKDCPRKGTXSMP-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001716824510 1180426028 /nfs/dbraw/zinc/42/60/28/1180426028.db2.gz FAERSLYVVZGQRA-HZPDHXFCSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001716983960 1180491713 /nfs/dbraw/zinc/49/17/13/1180491713.db2.gz AGPSDTVBVLYLMH-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001717013841 1180501665 /nfs/dbraw/zinc/50/16/65/1180501665.db2.gz UZZVZPXAUMDYAM-IYBDPMFKSA-N 2 0 293.455 1.685 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001717871851 1180907051 /nfs/dbraw/zinc/90/70/51/1180907051.db2.gz DFRRDVSJKXRPGS-KBPBESRZSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001718000269 1180964177 /nfs/dbraw/zinc/96/41/77/1180964177.db2.gz FIZQJAWOXUAWRV-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001723044079 1181513554 /nfs/dbraw/zinc/51/35/54/1181513554.db2.gz SXDQPUYISWLAIJ-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001723087886 1181517229 /nfs/dbraw/zinc/51/72/29/1181517229.db2.gz ODEJLUQSTCOMDJ-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001723514032 1181581176 /nfs/dbraw/zinc/58/11/76/1181581176.db2.gz AJPCZOCPTCAUFQ-UHFFFAOYSA-N 2 0 291.439 1.513 10 30 CDEERP C=CCC[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001724023445 1181630228 /nfs/dbraw/zinc/63/02/28/1181630228.db2.gz PXIQSFXQTDJMFT-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001724250195 1181658192 /nfs/dbraw/zinc/65/81/92/1181658192.db2.gz NDBLWYKYFHTGPI-GDBMZVCRSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001724589130 1181699719 /nfs/dbraw/zinc/69/97/19/1181699719.db2.gz YHXBIRUKXLPPLK-UONOGXRCSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001724891442 1181787738 /nfs/dbraw/zinc/78/77/38/1181787738.db2.gz QVCHJYPNVMRPGG-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001724940581 1181801091 /nfs/dbraw/zinc/80/10/91/1181801091.db2.gz WYROEPQNTBKUGY-CABCVRRESA-N 2 0 289.423 1.075 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001725127983 1181876812 /nfs/dbraw/zinc/87/68/12/1181876812.db2.gz LADSYIPSNTZFRD-ZIAGYGMSSA-N 2 0 287.407 1.478 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001725371916 1181978463 /nfs/dbraw/zinc/97/84/63/1181978463.db2.gz JNCFFDLPGXYJGX-RBSFLKMASA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725406915 1181991530 /nfs/dbraw/zinc/99/15/30/1181991530.db2.gz FHEFFIYARNGMNC-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725517567 1182032025 /nfs/dbraw/zinc/03/20/25/1182032025.db2.gz HJIQRLOESNGOMF-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001725563906 1182051456 /nfs/dbraw/zinc/05/14/56/1182051456.db2.gz FUHHIOZIYXJGTO-UKRRQHHQSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001731333332 1182325234 /nfs/dbraw/zinc/32/52/34/1182325234.db2.gz JXEAWDZSYCAAPR-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH+]1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001731364587 1182338589 /nfs/dbraw/zinc/33/85/89/1182338589.db2.gz ROUZWFZBYSAESB-UHFFFAOYSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001731532208 1182437052 /nfs/dbraw/zinc/43/70/52/1182437052.db2.gz VMSZREXEAYXBHR-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001731597055 1182471251 /nfs/dbraw/zinc/47/12/51/1182471251.db2.gz KIWOOZDHRFDYDC-LBPRGKRZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001731608314 1182476686 /nfs/dbraw/zinc/47/66/86/1182476686.db2.gz KKXCEAAFXJHFDP-CQSZACIVSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001731659784 1182506839 /nfs/dbraw/zinc/50/68/39/1182506839.db2.gz IKEZSWDCZDLBSI-HUUCEWRRSA-N 2 0 299.434 1.681 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001731705217 1182523387 /nfs/dbraw/zinc/52/33/87/1182523387.db2.gz VGBYEYNGRNHENW-LSDHHAIUSA-N 2 0 277.412 1.123 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001731720699 1182530980 /nfs/dbraw/zinc/53/09/80/1182530980.db2.gz SXINFQBWQOPWNS-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001731867718 1182638039 /nfs/dbraw/zinc/63/80/39/1182638039.db2.gz VSUHBSQUCPPPRL-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001732458633 1182976444 /nfs/dbraw/zinc/97/64/44/1182976444.db2.gz GDDJMCNJFGNXGU-HZPDHXFCSA-N 2 0 293.455 1.635 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001732574331 1183016876 /nfs/dbraw/zinc/01/68/76/1183016876.db2.gz VYXBNFRNUURGHV-CQSZACIVSA-N 2 0 267.417 1.080 10 30 CDEERP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001732598165 1183040063 /nfs/dbraw/zinc/04/00/63/1183040063.db2.gz JAFMHSFXIFZAQF-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001732956562 1183203563 /nfs/dbraw/zinc/20/35/63/1183203563.db2.gz JPTZRZAGAGBGDY-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001733255394 1183373023 /nfs/dbraw/zinc/37/30/23/1183373023.db2.gz BHNYBDDVQLCYKH-INIZCTEOSA-N 2 0 295.402 1.071 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001733261096 1183374607 /nfs/dbraw/zinc/37/46/07/1183374607.db2.gz PHJNUTFELPDYDW-UHFFFAOYSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001733578721 1183470913 /nfs/dbraw/zinc/47/09/13/1183470913.db2.gz HVCKZGPUKZWVKY-IYBDPMFKSA-N 2 0 291.439 1.439 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)C[C@H](C)n1ccnc1 ZINC001733778827 1183530514 /nfs/dbraw/zinc/53/05/14/1183530514.db2.gz NRFIEZDLWBVJOF-AWEZNQCLSA-N 2 0 276.384 1.248 10 30 CDEERP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001734602885 1183842320 /nfs/dbraw/zinc/84/23/20/1183842320.db2.gz SMEOIYDVUPXHDN-WLYUNCDWSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC3(C2)CC[NH2+]CC3)CCC[NH2+]1 ZINC000852875508 844452865 /nfs/dbraw/zinc/45/28/65/844452865.db2.gz YKAFVZNCSSMADG-MRXNPFEDSA-N 2 0 277.412 1.287 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001570640727 1167580103 /nfs/dbraw/zinc/58/01/03/1167580103.db2.gz FFQPNIMSINXCHE-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CCC[NH2+]1 ZINC000877151839 843727751 /nfs/dbraw/zinc/72/77/51/843727751.db2.gz SZDGNAVIEXPESO-CJNGLKHVSA-N 2 0 279.428 1.579 10 30 CDEERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852868200 843882727 /nfs/dbraw/zinc/88/27/27/843882727.db2.gz PSOXXRCVUPAHPG-INIZCTEOSA-N 2 0 291.439 1.084 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000877125521 844003762 /nfs/dbraw/zinc/00/37/62/844003762.db2.gz OJAAWADRSHFDOK-MNOVXSKESA-N 2 0 259.781 1.186 10 30 CDEERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852862079 844717789 /nfs/dbraw/zinc/71/77/89/844717789.db2.gz RXVBRCVIOXIRPA-LSDHHAIUSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000877269596 844727778 /nfs/dbraw/zinc/72/77/78/844727778.db2.gz AOFVMELHFNYLQT-YPMHNXCESA-N 2 0 293.798 1.621 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000876509783 845403898 /nfs/dbraw/zinc/40/38/98/845403898.db2.gz KDSXENCBXJKUGL-LBPRGKRZSA-N 2 0 267.760 1.814 10 30 CDEERP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)C[NH+]1CCCCC1 ZINC000303261667 845699555 /nfs/dbraw/zinc/69/95/55/845699555.db2.gz OSCYDNTWQYAWQJ-KBPBESRZSA-N 2 0 282.432 1.192 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000877269593 845831327 /nfs/dbraw/zinc/83/13/27/845831327.db2.gz AOFVMELHFNYLQT-AAEUAGOBSA-N 2 0 293.798 1.621 10 30 CDEERP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])N1CCCCC1 ZINC000104168201 846202084 /nfs/dbraw/zinc/20/20/84/846202084.db2.gz AKIAJAONGKWVGR-CYBMUJFWSA-N 2 0 252.406 1.661 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000876883592 846395408 /nfs/dbraw/zinc/39/54/08/846395408.db2.gz KMLCAGPETVAWLJ-RDBSUJKOSA-N 2 0 299.846 1.930 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000876876864 847679404 /nfs/dbraw/zinc/67/94/04/847679404.db2.gz WFVRNNLSHJRUTJ-AAEUAGOBSA-N 2 0 287.835 1.645 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001566862415 1168038942 /nfs/dbraw/zinc/03/89/42/1168038942.db2.gz AGUYWPPEKZRMFK-ZNMIVQPWSA-N 2 0 279.428 1.530 10 30 CDEERP C#CC[NH2+]C1CCC(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001566983870 1168488116 /nfs/dbraw/zinc/48/81/16/1168488116.db2.gz DDLGJOPRMSEVEE-NRXISQOPSA-N 2 0 297.418 1.317 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567097302 1168560549 /nfs/dbraw/zinc/56/05/49/1168560549.db2.gz YLFUVKYZQHSSPF-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCCC[NH+]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266544527 895298646 /nfs/dbraw/zinc/29/86/46/895298646.db2.gz CMKKRHSKIKYYJO-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001266560752 895362748 /nfs/dbraw/zinc/36/27/48/895362748.db2.gz VKGYXPCLAYDQFP-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266571487 895404436 /nfs/dbraw/zinc/40/44/36/895404436.db2.gz VQKGKDZFHDWHKB-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001266798173 896064988 /nfs/dbraw/zinc/06/49/88/896064988.db2.gz LZEKDQPSQFZVRG-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267064982 896670149 /nfs/dbraw/zinc/67/01/49/896670149.db2.gz OFIMZIXMDVPNDW-HNNXBMFYSA-N 2 0 291.439 1.487 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267486205 898137258 /nfs/dbraw/zinc/13/72/58/898137258.db2.gz ZEPFNULZICVBKG-IIAWOOMASA-N 2 0 291.439 1.177 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001481041598 898661323 /nfs/dbraw/zinc/66/13/23/898661323.db2.gz IJYDJCVANPEWFF-LSDHHAIUSA-N 2 0 299.434 1.823 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001481112767 898883330 /nfs/dbraw/zinc/88/33/30/898883330.db2.gz RZWDBDNNGGYATK-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267700573 899316962 /nfs/dbraw/zinc/31/69/62/899316962.db2.gz DMLASGFLEZPPSH-MRXNPFEDSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001267944823 900017837 /nfs/dbraw/zinc/01/78/37/900017837.db2.gz NBLHGXWAKDSKFE-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001268293128 901770516 /nfs/dbraw/zinc/77/05/16/901770516.db2.gz YKMGGBAZTYJTPR-KBPBESRZSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001481682826 901786223 /nfs/dbraw/zinc/78/62/23/901786223.db2.gz LKHWGLVWYMRDCM-JYJNAYRXSA-N 2 0 291.439 1.722 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001481753721 902017631 /nfs/dbraw/zinc/01/76/31/902017631.db2.gz XQFLJINXRMIMPP-MRXNPFEDSA-N 2 0 291.439 1.418 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482134802 902692628 /nfs/dbraw/zinc/69/26/28/902692628.db2.gz FAOCHTBNVKLJNZ-ILXRZTDVSA-N 2 0 281.444 1.635 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001268770944 903108989 /nfs/dbraw/zinc/10/89/89/903108989.db2.gz LKQHGSWYZCWTMN-HOTGVXAUSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001268770945 903109910 /nfs/dbraw/zinc/10/99/10/903109910.db2.gz LKQHGSWYZCWTMN-HZPDHXFCSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001269510621 903876675 /nfs/dbraw/zinc/87/66/75/903876675.db2.gz RMSGPFCPSNGCSD-HUUCEWRRSA-N 2 0 297.443 1.015 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001269691102 904040923 /nfs/dbraw/zinc/04/09/23/904040923.db2.gz AZFQEBHNWILYTA-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP CC#CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001270087986 904343279 /nfs/dbraw/zinc/34/32/79/904343279.db2.gz HRNYFECBFFDHNV-UHFFFAOYSA-N 2 0 299.418 1.512 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001271567685 906523414 /nfs/dbraw/zinc/52/34/14/906523414.db2.gz ZXYSTMPQEGTNPO-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001482650654 908114079 /nfs/dbraw/zinc/11/40/79/908114079.db2.gz XWKXEKFVMZPDNQ-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001567965188 1169097813 /nfs/dbraw/zinc/09/78/13/1169097813.db2.gz GDRODTKGFIPRDN-KBPBESRZSA-N 2 0 267.417 1.080 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)C(C)C ZINC001483097047 909333322 /nfs/dbraw/zinc/33/33/22/909333322.db2.gz HZJHDNPDZQMSFP-AATRIKPKSA-N 2 0 273.808 1.341 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483368331 910995638 /nfs/dbraw/zinc/99/56/38/910995638.db2.gz PJQWIBOREQZPBS-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001484096196 915432189 /nfs/dbraw/zinc/43/21/89/915432189.db2.gz JPKUGCCAFABRRA-MRXNPFEDSA-N 2 0 288.395 1.194 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001484347149 915657742 /nfs/dbraw/zinc/65/77/42/915657742.db2.gz NBGOHXBXPDHZEV-GOEBONIOSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484378670 915696113 /nfs/dbraw/zinc/69/61/13/915696113.db2.gz ZPSSHCVWNWHIGF-UONOGXRCSA-N 2 0 267.417 1.198 10 30 CDEERP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001484511995 915835652 /nfs/dbraw/zinc/83/56/52/915835652.db2.gz NMEKKJSRJXBKSQ-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484565183 915887346 /nfs/dbraw/zinc/88/73/46/915887346.db2.gz OJTCVPBPTVTYOL-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]C(C)C)CC1 ZINC001485230242 916684619 /nfs/dbraw/zinc/68/46/19/916684619.db2.gz RMXHJBYHMLLKIK-KBPBESRZSA-N 2 0 279.428 1.223 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001485428111 916975052 /nfs/dbraw/zinc/97/50/52/916975052.db2.gz IFYXTRUDYUBFHM-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001485687005 917183876 /nfs/dbraw/zinc/18/38/76/917183876.db2.gz OLLOYTFPKQIXRI-KKUMJFAQSA-N 2 0 281.444 1.633 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001568223961 1169189835 /nfs/dbraw/zinc/18/98/35/1169189835.db2.gz UWEJRAJZOZKTBU-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001325405383 919498809 /nfs/dbraw/zinc/49/88/09/919498809.db2.gz FZFQFKDEMSSZDG-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001486129740 920735186 /nfs/dbraw/zinc/73/51/86/920735186.db2.gz OEQAYFDCSQHZKX-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001486510109 921089552 /nfs/dbraw/zinc/08/95/52/921089552.db2.gz IZZNSEMRHJYKEG-UHFFFAOYSA-N 2 0 277.412 1.405 10 30 CDEERP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001649448341 1169257966 /nfs/dbraw/zinc/25/79/66/1169257966.db2.gz WSYKXMYXQSZPPQ-WMLDXEAASA-N 2 0 293.455 1.779 10 30 CDEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001649464303 1169265065 /nfs/dbraw/zinc/26/50/65/1169265065.db2.gz QELBUSAMAPPERT-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CCCC)CC1 ZINC001273204559 924874198 /nfs/dbraw/zinc/87/41/98/924874198.db2.gz LTOSBOFJERZVDR-OAHLLOKOSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001568415524 1169278469 /nfs/dbraw/zinc/27/84/69/1169278469.db2.gz XZMHTMPBNBRQKG-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001568451888 1169295367 /nfs/dbraw/zinc/29/53/67/1169295367.db2.gz YSZKRGNECNJDEX-HRCADAONSA-N 2 0 293.455 1.470 10 30 CDEERP C#CCC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001490240877 927046832 /nfs/dbraw/zinc/04/68/32/927046832.db2.gz AVTPOYZCEDHGOZ-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001275571852 931886664 /nfs/dbraw/zinc/88/66/64/931886664.db2.gz RNVBQTQXKAKGOK-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001275649629 931927581 /nfs/dbraw/zinc/92/75/81/931927581.db2.gz XFRVBHPYSBKVQU-CQSZACIVSA-N 2 0 281.444 1.424 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001275789983 932035436 /nfs/dbraw/zinc/03/54/36/932035436.db2.gz FJXIKNFHAHGTAP-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568632898 1169409221 /nfs/dbraw/zinc/40/92/21/1169409221.db2.gz SEUANFLFWINSLX-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC=C)C1CC1 ZINC001276602551 940409603 /nfs/dbraw/zinc/40/96/03/940409603.db2.gz AMONQYCBNHXELZ-HOTGVXAUSA-N 2 0 289.423 1.145 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001277001117 941800625 /nfs/dbraw/zinc/80/06/25/941800625.db2.gz JITRJUZQFJLYTP-MGPQQGTHSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001277033995 941844557 /nfs/dbraw/zinc/84/45/57/941844557.db2.gz UGHUZAXZLBSLFY-HDJSIYSDSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001277176925 942120448 /nfs/dbraw/zinc/12/04/48/942120448.db2.gz FAGYFHSUQKKDCN-UHFFFAOYSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001282495836 942723503 /nfs/dbraw/zinc/72/35/03/942723503.db2.gz VZSJNEYMCVPFEO-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001263928190 944034394 /nfs/dbraw/zinc/03/43/94/944034394.db2.gz USKONYBBOMVIRE-ARFHVFGLSA-N 2 0 293.455 1.470 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001265043340 944212812 /nfs/dbraw/zinc/21/28/12/944212812.db2.gz JFHDTFKWDVBROY-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001265276126 944310741 /nfs/dbraw/zinc/31/07/41/944310741.db2.gz ZEDMQWWWEQGSMX-KBPBESRZSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001265357198 944356666 /nfs/dbraw/zinc/35/66/66/944356666.db2.gz VYRBMYQDFOVPOK-HOTGVXAUSA-N 2 0 291.439 1.389 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001265452852 944392191 /nfs/dbraw/zinc/39/21/91/944392191.db2.gz QRKAJKUCVHHGNM-INIZCTEOSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265490457 944407797 /nfs/dbraw/zinc/40/77/97/944407797.db2.gz GANKNVIOXBIRNT-IHRRRGAJSA-N 2 0 265.401 1.284 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001265674049 944465544 /nfs/dbraw/zinc/46/55/44/944465544.db2.gz QMMANGADUYIVNM-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265706741 944475904 /nfs/dbraw/zinc/47/59/04/944475904.db2.gz YXTQHERVLWIUQB-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001265793787 944511380 /nfs/dbraw/zinc/51/13/80/944511380.db2.gz AMLVVKGULZEMFF-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001479828910 971440522 /nfs/dbraw/zinc/44/05/22/971440522.db2.gz GSQYGLIDQAQUCL-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001279022631 948610473 /nfs/dbraw/zinc/61/04/73/948610473.db2.gz XAUMWRKOSFASOI-LSDHHAIUSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001278573121 950217075 /nfs/dbraw/zinc/21/70/75/950217075.db2.gz WEMLGCGUYBNXRC-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480294667 971662020 /nfs/dbraw/zinc/66/20/20/971662020.db2.gz MVNQFPAROBPGMO-HZPDHXFCSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480679604 971835382 /nfs/dbraw/zinc/83/53/82/971835382.db2.gz PLFYYIYTRKZQQB-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001493008131 971923691 /nfs/dbraw/zinc/92/36/91/971923691.db2.gz AMKHLBMFDAAPDQ-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001324618780 953473594 /nfs/dbraw/zinc/47/35/94/953473594.db2.gz CUZRLDTXDDGINV-INIZCTEOSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001493110824 971953153 /nfs/dbraw/zinc/95/31/53/971953153.db2.gz YGPWHZIIDCXDKK-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001493357991 972031247 /nfs/dbraw/zinc/03/12/47/972031247.db2.gz VMDFWLGZZXPIDG-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001327258880 954797731 /nfs/dbraw/zinc/79/77/31/954797731.db2.gz VIWLSQQTUTXYLH-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001327290827 954815054 /nfs/dbraw/zinc/81/50/54/954815054.db2.gz IQCZLEUYHWZOCP-UHFFFAOYSA-N 2 0 279.428 1.276 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001327995800 955150763 /nfs/dbraw/zinc/15/07/63/955150763.db2.gz OEMHFJWGGHOCID-UHFFFAOYSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001328343814 955270646 /nfs/dbraw/zinc/27/06/46/955270646.db2.gz MRJSUPKWBVXIFZ-RRFJBIMHSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001491891361 955495103 /nfs/dbraw/zinc/49/51/03/955495103.db2.gz JKFMOGQBNGGWAI-HZPDHXFCSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001491934217 955533318 /nfs/dbraw/zinc/53/33/18/955533318.db2.gz VZDNUNNERJGMEJ-MRXNPFEDSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001491965335 955549277 /nfs/dbraw/zinc/54/92/77/955549277.db2.gz JYPAVMUGEKGFTP-OAHLLOKOSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C(C)C ZINC001493864304 972128442 /nfs/dbraw/zinc/12/84/42/972128442.db2.gz KIORSAZBNNNYNO-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001329439730 955916540 /nfs/dbraw/zinc/91/65/40/955916540.db2.gz BURITCJKTDOZTG-DZGCQCFKSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001317267142 956003746 /nfs/dbraw/zinc/00/37/46/956003746.db2.gz VNUSJWWUENKNER-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001330000282 956228312 /nfs/dbraw/zinc/22/83/12/956228312.db2.gz OTQXDYOWBKXCLN-ZDUSSCGKSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001330020081 956236390 /nfs/dbraw/zinc/23/63/90/956236390.db2.gz GIJFHHHKFMQLSJ-UKRRQHHQSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[N@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001494048370 972167256 /nfs/dbraw/zinc/16/72/56/972167256.db2.gz NQISLCFZMNUWKJ-AWEZNQCLSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001331462905 957078922 /nfs/dbraw/zinc/07/89/22/957078922.db2.gz ZIZOLWHRDUSMCP-KBPBESRZSA-N 2 0 285.407 1.126 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001317076054 957252376 /nfs/dbraw/zinc/25/23/76/957252376.db2.gz LMJRXFFROSPZBQ-RBSFLKMASA-N 2 0 279.428 1.672 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001317126940 957291136 /nfs/dbraw/zinc/29/11/36/957291136.db2.gz BPACSRXCIQAPLM-TUVASFSCSA-N 2 0 279.428 1.672 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001331920010 957336306 /nfs/dbraw/zinc/33/63/06/957336306.db2.gz UINAPRNIKLCNPK-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CCCn2ccnc2)[C@@H]1C ZINC001331943567 957352607 /nfs/dbraw/zinc/35/26/07/957352607.db2.gz JGRYORDOQWTUGL-HUUCEWRRSA-N 2 0 290.411 1.818 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001317398046 957453032 /nfs/dbraw/zinc/45/30/32/957453032.db2.gz MQFXBUNKINYCDY-GFCCVEGCSA-N 2 0 284.363 1.374 10 30 CDEERP C#CCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001317464075 957495617 /nfs/dbraw/zinc/49/56/17/957495617.db2.gz QZMAZMZWDYRERU-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001317507645 957518014 /nfs/dbraw/zinc/51/80/14/957518014.db2.gz DFDQLLFOFJICCK-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317587449 957585327 /nfs/dbraw/zinc/58/53/27/957585327.db2.gz KLRDNWJXRWZBSN-OAHLLOKOSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[N@@H+](C)CCN(C(=O)CCc1c[nH]cn1)C(C)C ZINC001332711558 957682440 /nfs/dbraw/zinc/68/24/40/957682440.db2.gz SPLLHEWERCOZLX-UHFFFAOYSA-N 2 0 278.400 1.697 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318056156 957886207 /nfs/dbraw/zinc/88/62/07/957886207.db2.gz HNBFBCMWUUIQMT-CYBMUJFWSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001319210280 958436735 /nfs/dbraw/zinc/43/67/35/958436735.db2.gz VNVBGARTIBAAST-CQSZACIVSA-N 2 0 279.428 1.390 10 30 CDEERP C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC001319758220 958713646 /nfs/dbraw/zinc/71/36/46/958713646.db2.gz MKUWCXCYZPYGRU-KGLIPLIRSA-N 2 0 263.385 1.612 10 30 CDEERP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001569308330 1169757490 /nfs/dbraw/zinc/75/74/90/1169757490.db2.gz ZMKAPIQOZUBVMT-HOTGVXAUSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001368896630 959234679 /nfs/dbraw/zinc/23/46/79/959234679.db2.gz LLWROQINRHRHJD-VXGBXAGGSA-N 2 0 285.819 1.318 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CC(C)C)CC1 ZINC001320928129 959463458 /nfs/dbraw/zinc/46/34/58/959463458.db2.gz GSIOEYVAMPYISY-UHFFFAOYSA-N 2 0 293.455 1.426 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001321120044 959604497 /nfs/dbraw/zinc/60/44/97/959604497.db2.gz DLHPJNBSTRFNOS-NFAHFFEMSA-N 2 0 279.428 1.699 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001321417277 959775175 /nfs/dbraw/zinc/77/51/75/959775175.db2.gz QFLRSNOVTXJRNE-JRIJJQDJSA-N 2 0 277.412 1.145 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001495432359 972498274 /nfs/dbraw/zinc/49/82/74/972498274.db2.gz HYRPMNNRRVYAFY-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001324066122 961150431 /nfs/dbraw/zinc/15/04/31/961150431.db2.gz BXVVUAJLPOIJLL-HUUCEWRRSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001324205851 961230473 /nfs/dbraw/zinc/23/04/73/961230473.db2.gz FCDLDPGUYXHONA-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001324286073 961285365 /nfs/dbraw/zinc/28/53/65/961285365.db2.gz NSTQUXZNPXDJPD-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001420784691 963236828 /nfs/dbraw/zinc/23/68/28/963236828.db2.gz HKAMMVFJHHQMTK-OLZOCXBDSA-N 2 0 285.819 1.175 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001441865408 964755582 /nfs/dbraw/zinc/75/55/82/964755582.db2.gz OGXIXHYFSIBWJQ-CHWSQXEVSA-N 2 0 287.835 1.708 10 30 CDEERP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001346136993 964950933 /nfs/dbraw/zinc/95/09/33/964950933.db2.gz SBUVYCXGQOXYKQ-IXDOHACOSA-N 2 0 295.471 1.319 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001346497056 965143574 /nfs/dbraw/zinc/14/35/74/965143574.db2.gz YTUPNWHDNGVBQC-KBPBESRZSA-N 2 0 267.417 1.566 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001353368148 967929058 /nfs/dbraw/zinc/92/90/58/967929058.db2.gz DREAVYBTMKJPTC-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001569575133 1169927742 /nfs/dbraw/zinc/92/77/42/1169927742.db2.gz HYTXJCGNXXBQAK-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496770233 973087301 /nfs/dbraw/zinc/08/73/01/973087301.db2.gz QHPYBKFDOLNABX-GJZGRUSLSA-N 2 0 281.444 1.683 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001496780543 973092290 /nfs/dbraw/zinc/09/22/90/973092290.db2.gz GRLGAJFZBCLEGY-UHFFFAOYSA-N 2 0 281.444 1.378 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497663913 973454910 /nfs/dbraw/zinc/45/49/10/973454910.db2.gz WIMFNQRDEWLHOQ-LAWSMPECSA-N 2 0 265.401 1.165 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001499845002 974314853 /nfs/dbraw/zinc/31/48/53/974314853.db2.gz TYQGTYCTQWDRGZ-CABCVRRESA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]1C ZINC001502747403 974775203 /nfs/dbraw/zinc/77/52/03/974775203.db2.gz BNDLTOKJRZZJSX-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001505434236 974876804 /nfs/dbraw/zinc/87/68/04/974876804.db2.gz NHOBAUUEKXTDNZ-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+]C1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001505784454 974988507 /nfs/dbraw/zinc/98/85/07/974988507.db2.gz JSKCUGQYBYMQSF-UHFFFAOYSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001506580672 975182300 /nfs/dbraw/zinc/18/23/00/975182300.db2.gz UNRZRVWOFUPYPZ-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001506748983 975215868 /nfs/dbraw/zinc/21/58/68/975215868.db2.gz CDZDEOGQLALJHG-QWHCGFSZSA-N 2 0 267.417 1.339 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001507904168 975562331 /nfs/dbraw/zinc/56/23/31/975562331.db2.gz SBEPFUVKQVWOPR-OLZOCXBDSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001492950257 976112328 /nfs/dbraw/zinc/11/23/28/976112328.db2.gz MEAQGILDVQDVRF-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001569810048 1170002159 /nfs/dbraw/zinc/00/21/59/1170002159.db2.gz FJMAKOLTILKVQL-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001675343757 1174104511 /nfs/dbraw/zinc/10/45/11/1174104511.db2.gz UZFGPJZBGSEMAU-CQSZACIVSA-N 2 0 293.455 1.424 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001676695781 1174257242 /nfs/dbraw/zinc/25/72/42/1174257242.db2.gz ZGYWQDBNRCIVBY-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001570092914 1170076383 /nfs/dbraw/zinc/07/63/83/1170076383.db2.gz XLRKRQWQTQHXEY-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001570198973 1170110477 /nfs/dbraw/zinc/11/04/77/1170110477.db2.gz SNTGDYJULBLZBB-AWEZNQCLSA-N 2 0 269.433 1.539 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001570384481 1170147724 /nfs/dbraw/zinc/14/77/24/1170147724.db2.gz MAXMOBATPFGBOS-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001571631448 1170501727 /nfs/dbraw/zinc/50/17/27/1170501727.db2.gz YQFFMGUMSOUADM-ZDUSSCGKSA-N 2 0 281.444 1.635 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001571632971 1170502897 /nfs/dbraw/zinc/50/28/97/1170502897.db2.gz GABIQYJLZWBJHZ-CABCVRRESA-N 2 0 293.455 1.472 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001656106062 1171768679 /nfs/dbraw/zinc/76/86/79/1171768679.db2.gz RFGRQPFSHMKHED-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP COc1ccc(CN(C)C[C@@H]2CC[N@H+](C)C2)cc1C#N ZINC000087833399 361799259 /nfs/dbraw/zinc/79/92/59/361799259.db2.gz NKXLEUYXENWBTJ-CQSZACIVSA-N 2 0 273.380 1.950 10 30 CDEERP C[NH+]1CCC2(CC1)C[N@H+](CCC(C)(C)C#N)CCO2 ZINC000592184723 342679832 /nfs/dbraw/zinc/67/98/32/342679832.db2.gz NRNMTRQDBSBRTJ-UHFFFAOYSA-N 2 0 265.401 1.723 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000592346099 342686096 /nfs/dbraw/zinc/68/60/96/342686096.db2.gz PKRJKIRKZNXQRH-OAHLLOKOSA-N 2 0 294.443 1.420 10 30 CDEERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594441737 342907746 /nfs/dbraw/zinc/90/77/46/342907746.db2.gz VXNUPQCCGJQRLR-UONOGXRCSA-N 2 0 280.416 1.340 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000594449398 342909534 /nfs/dbraw/zinc/90/95/34/342909534.db2.gz IOOZNJAQRISZEG-CHWSQXEVSA-N 2 0 278.400 1.189 10 30 CDEERP CC[NH+](CC)CCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600712835 342243838 /nfs/dbraw/zinc/24/38/38/342243838.db2.gz AYKUVRRKIXDOEI-CYBMUJFWSA-N 2 0 253.390 1.363 10 30 CDEERP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600716787 342244237 /nfs/dbraw/zinc/24/42/37/342244237.db2.gz MJJSMGHPZMODKC-OAGGEKHMSA-N 2 0 293.455 1.999 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000594456550 342911604 /nfs/dbraw/zinc/91/16/04/342911604.db2.gz QJAMVKVYFCYYNF-CHWSQXEVSA-N 2 0 266.389 1.031 10 30 CDEERP C[NH+](C)CCC[C@H]1CN(CCC(C)(C)C#N)CCO1 ZINC000595905660 343188593 /nfs/dbraw/zinc/18/85/93/343188593.db2.gz FJAWUADXLFIVBO-AWEZNQCLSA-N 2 0 267.417 1.969 10 30 CDEERP NC(=[NH2+])NN=Cc1cc(N)ccc1N1CCCCC1 ZINC000584605513 346498217 /nfs/dbraw/zinc/49/82/17/346498217.db2.gz REDBLKPSILXGOV-RQZCQDPDSA-N 2 0 260.345 1.076 10 30 CDEERP C=CCCn1cc(CN2CCC3(C2)CC[NH+](C)CC3)nn1 ZINC000639755449 364759152 /nfs/dbraw/zinc/75/91/52/364759152.db2.gz LLYMOYSLIJVUJA-UHFFFAOYSA-N 2 0 289.427 1.772 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000626969860 367105271 /nfs/dbraw/zinc/10/52/71/367105271.db2.gz BABXSHLLLFSVSB-GXTWGEPZSA-N 2 0 280.416 1.077 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001661212379 1172357407 /nfs/dbraw/zinc/35/74/07/1172357407.db2.gz DRYHIBNTSULTGP-OWCLPIDISA-N 2 0 291.439 1.130 10 30 CDEERP C=CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001661554592 1172405414 /nfs/dbraw/zinc/40/54/14/1172405414.db2.gz DAVSPIBIVSQAEW-CVEARBPZSA-N 2 0 293.455 1.826 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001661832935 1172451795 /nfs/dbraw/zinc/45/17/95/1172451795.db2.gz RXNOQWHXUOBNCV-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCCCC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000638815347 374993401 /nfs/dbraw/zinc/99/34/01/374993401.db2.gz MKRMQBICLODFSS-ZFWWWQNUSA-N 2 0 265.401 1.415 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001662686018 1172580782 /nfs/dbraw/zinc/58/07/82/1172580782.db2.gz UWNBAZGSCSNFPA-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001663722056 1172753771 /nfs/dbraw/zinc/75/37/71/1172753771.db2.gz BQFVTNVVVLZUHT-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C[NH+](C)CC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000350177832 154344743 /nfs/dbraw/zinc/34/47/43/154344743.db2.gz UUHPDKKDGZMPNS-UHFFFAOYSA-N 2 0 297.406 1.980 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](CC)C2)CCC[NH2+]1 ZINC000662681537 413303938 /nfs/dbraw/zinc/30/39/38/413303938.db2.gz HIXHWKGFTOKGCI-HIFRSBDPSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001664849628 1172921019 /nfs/dbraw/zinc/92/10/19/1172921019.db2.gz SRXAGPLVLRYCRO-CABCVRRESA-N 2 0 281.444 1.683 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000662708569 413357172 /nfs/dbraw/zinc/35/71/72/413357172.db2.gz MYUKZGRUUMKJNV-GOEBONIOSA-N 2 0 277.412 1.381 10 30 CDEERP C=CC[C@]1(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CCC[NH2+]1 ZINC000662743907 413417680 /nfs/dbraw/zinc/41/76/80/413417680.db2.gz APTMYGDDHVWUEC-IJEWVQPXSA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[C@@]1(C(=O)Nc2ccc(C[NH3+])cc2)CCC[NH2+]1 ZINC000662765610 413460092 /nfs/dbraw/zinc/46/00/92/413460092.db2.gz BOTBGBWQMDISAJ-HNNXBMFYSA-N 2 0 259.353 1.782 10 30 CDEERP C=CC[C@@]1(C(=O)NC2CCC(C[NH+](C)C)CC2)CCC[NH2+]1 ZINC000662789272 413504309 /nfs/dbraw/zinc/50/43/09/413504309.db2.gz VVEZNDKKXYURSD-DQPZFDDXSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662816616 413539500 /nfs/dbraw/zinc/53/95/00/413539500.db2.gz XHDRXSJUVRNWCY-KCQAQPDRSA-N 2 0 265.401 1.128 10 30 CDEERP C=CC[C@]1(C(=O)NCCC[NH2+]C(C)C)CCC[NH2+]1 ZINC000662409591 424057619 /nfs/dbraw/zinc/05/76/19/424057619.db2.gz CGPALDQQNORKMO-CQSZACIVSA-N 2 0 253.390 1.189 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001667032690 1173225075 /nfs/dbraw/zinc/22/50/75/1173225075.db2.gz DLMDWFQXTVJHNT-ZIAGYGMSSA-N 2 0 269.433 1.585 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)CCC[NH2+]1 ZINC000662823540 424508484 /nfs/dbraw/zinc/50/84/84/424508484.db2.gz SXDWWAYABDJIAB-XJKSGUPXSA-N 2 0 277.412 1.476 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662855266 424530558 /nfs/dbraw/zinc/53/05/58/424530558.db2.gz WCKAWTUAKUYEIC-CZUORRHYSA-N 2 0 279.428 1.674 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001667118700 1173236724 /nfs/dbraw/zinc/23/67/24/1173236724.db2.gz VBBYOXQIFXGOAE-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001669140225 1173508718 /nfs/dbraw/zinc/50/87/18/1173508718.db2.gz XAFGUZQBSOQUFY-MBVDDHJVSA-N 2 0 279.428 1.556 10 30 CDEERP C=C(C)C[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001671436945 1173680754 /nfs/dbraw/zinc/68/07/54/1173680754.db2.gz HAGWKZSRRKYGSP-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP CC[NH+](CC)[C@@H]1CCN(C(NC2CCC2)=[NH+]C)C1 ZINC000262795268 330032042 /nfs/dbraw/zinc/03/20/42/330032042.db2.gz PKIJHNYMTPXDFI-CYBMUJFWSA-N 2 0 252.406 1.530 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001670784725 1159793715 /nfs/dbraw/zinc/79/37/15/1159793715.db2.gz ODKOPCXUVAITQO-CHWSQXEVSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268392512 1159923918 /nfs/dbraw/zinc/92/39/18/1159923918.db2.gz GTLBQEGOJVMVRS-RDBSUJKOSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483676710 1161055450 /nfs/dbraw/zinc/05/54/50/1161055450.db2.gz POKBOKCZAGAXLS-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001713310457 1178488320 /nfs/dbraw/zinc/48/83/20/1178488320.db2.gz VAWXONWIJMJZDS-KBPBESRZSA-N 2 0 267.417 1.530 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485945681 1161447227 /nfs/dbraw/zinc/44/72/27/1161447227.db2.gz YURLWEJZMQKUJU-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[N@@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001714571720 1179225689 /nfs/dbraw/zinc/22/56/89/1179225689.db2.gz GWCHTAKINAHVLJ-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001716479118 1180243415 /nfs/dbraw/zinc/24/34/15/1180243415.db2.gz ZCUBTXXURPNHAH-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP CC(C)(C)[NH+]1CCN(Cc2cccc(C#CC[NH3+])c2)CC1 ZINC000049609856 518713789 /nfs/dbraw/zinc/71/37/89/518713789.db2.gz DFXHUOCEVKFUCH-UHFFFAOYSA-N 2 0 285.435 1.913 10 30 CDEERP CN(CC[NH+]1CCCC1)Cc1ccc(C#CC[NH3+])cc1 ZINC000063052837 522828248 /nfs/dbraw/zinc/82/82/48/522828248.db2.gz ASLLUQWKDPDWAH-UHFFFAOYSA-N 2 0 271.408 1.524 10 30 CDEERP CC[C@H](C)[NH+]1CCN(Cc2cccc(C#CC[NH3+])c2)CC1 ZINC000055069319 523956796 /nfs/dbraw/zinc/95/67/96/523956796.db2.gz RLVNQEAMEIYNHK-INIZCTEOSA-N 2 0 285.435 1.913 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000113222223 526922961 /nfs/dbraw/zinc/92/29/61/526922961.db2.gz ZQUWUDVFMVALHV-GDBMZVCRSA-N 2 0 289.423 1.027 10 30 CDEERP [NH3+]CC#Cc1cccc(C[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000049608333 527151247 /nfs/dbraw/zinc/15/12/47/527151247.db2.gz FSWGNDNKYYOMMF-MRXNPFEDSA-N 2 0 258.365 1.201 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001698557848 1174846250 /nfs/dbraw/zinc/84/62/50/1174846250.db2.gz ODJREDAMVLBKSZ-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000939810216 613129637 /nfs/dbraw/zinc/12/96/37/613129637.db2.gz LMQJEADDEKSCQI-ZBFHGGJFSA-N 2 0 291.439 1.177 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940617286 613536610 /nfs/dbraw/zinc/53/66/10/613536610.db2.gz IFPPBUKEQKKOAP-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP N#CCOc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925620523 617566729 /nfs/dbraw/zinc/56/67/29/617566729.db2.gz HHDCPDWHVGGGON-CABCVRRESA-N 2 0 271.364 1.948 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000900204730 622801086 /nfs/dbraw/zinc/80/10/86/622801086.db2.gz OADYZRXSLBZICV-ZFWWWQNUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000900959389 623728096 /nfs/dbraw/zinc/72/80/96/623728096.db2.gz XMBWDKVEXOKWFF-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000901151745 623911460 /nfs/dbraw/zinc/91/14/60/623911460.db2.gz JVTGRWLPCHQDJH-MRXNPFEDSA-N 2 0 295.471 1.979 10 30 CDEERP C1CC[C@@H]2[NH+]=C(NN=C3C[C@H]4CCC[N@@H+](C3)C4)N[C@@H]2C1 ZINC000905457011 626823847 /nfs/dbraw/zinc/82/38/47/626823847.db2.gz QZHQHLAQTSOCOI-BNOWGMLFSA-N 2 0 275.400 1.318 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000907341964 627604204 /nfs/dbraw/zinc/60/42/04/627604204.db2.gz UERDCKAQWPGMML-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000907449282 627678051 /nfs/dbraw/zinc/67/80/51/627678051.db2.gz VUTUQSGDXWFANS-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000908287326 628114491 /nfs/dbraw/zinc/11/44/91/628114491.db2.gz IXLUDXAANSAPSO-CYBMUJFWSA-N 2 0 255.406 1.339 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1CC ZINC001670596527 1158654550 /nfs/dbraw/zinc/65/45/50/1158654550.db2.gz WLQKTBQOGCVFRK-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001691052511 1158841704 /nfs/dbraw/zinc/84/17/04/1158841704.db2.gz SGLVBPDAGVAXGO-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001731952266 1159408059 /nfs/dbraw/zinc/40/80/59/1159408059.db2.gz LIFFXIQCGFMWSJ-NSHDSACASA-N 2 0 273.808 1.129 10 30 CDEERP C=CCNC(=O)C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156692 1165388282 /nfs/dbraw/zinc/38/82/82/1165388282.db2.gz CJHUCFZRRIOULS-HOCLYGCPSA-N 2 0 293.455 1.908 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000876723740 1165900387 /nfs/dbraw/zinc/90/03/87/1165900387.db2.gz GMWOXRILESSVBE-VXGBXAGGSA-N 2 0 273.808 1.447 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001635174420 1166565718 /nfs/dbraw/zinc/56/57/18/1166565718.db2.gz IIEFJUXCCKXCCT-INIZCTEOSA-N 2 0 287.407 1.147 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001565864402 1168190224 /nfs/dbraw/zinc/19/02/24/1168190224.db2.gz RLTXTODIPPKHKT-BZUAXINKSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001649444689 1169254867 /nfs/dbraw/zinc/25/48/67/1169254867.db2.gz TXRFYFHNRKJRGK-ZIAGYGMSSA-N 2 0 269.433 1.633 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC(C)C)CC1 ZINC001570653621 1170224334 /nfs/dbraw/zinc/22/43/34/1170224334.db2.gz UDCCDXOSVJBDQI-HUUCEWRRSA-N 2 0 293.455 1.470 10 30 CDEERP C#CCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001570897004 1170314485 /nfs/dbraw/zinc/31/44/85/1170314485.db2.gz LXMYYUPKNALLSS-CQSZACIVSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001571401675 1170413754 /nfs/dbraw/zinc/41/37/54/1170413754.db2.gz IOVCYWJSCAGCFN-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001656677961 1171859642 /nfs/dbraw/zinc/85/96/42/1171859642.db2.gz NPYZRJSHDMONOO-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001662716822 1172585343 /nfs/dbraw/zinc/58/53/43/1172585343.db2.gz DAYYWKUHUFVATI-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001663210233 1172655135 /nfs/dbraw/zinc/65/51/35/1172655135.db2.gz ZLDUWPSLTFDIMT-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001666000338 1173099601 /nfs/dbraw/zinc/09/96/01/1173099601.db2.gz NUMOKEJPFBIWSX-WBVHZDCISA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001668178982 1173378960 /nfs/dbraw/zinc/37/89/60/1173378960.db2.gz PXKJEQFBWYMDJW-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001674353512 1173936296 /nfs/dbraw/zinc/93/62/96/1173936296.db2.gz ORIQQFASSJIBJM-MRXNPFEDSA-N 2 0 293.455 1.685 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001674495700 1173954228 /nfs/dbraw/zinc/95/42/28/1173954228.db2.gz MGIWDKHTUPZPFF-OAHLLOKOSA-N 2 0 277.412 1.028 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001691825716 1175632553 /nfs/dbraw/zinc/63/25/53/1175632553.db2.gz VCOVRALJDVVWQJ-SHTZXODSSA-N 2 0 291.439 1.533 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001698919616 1175984464 /nfs/dbraw/zinc/98/44/64/1175984464.db2.gz CSRYLXKHJPHMEW-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[N@@H+](C)CCN(C)C(=O)Cc1ncc[nH]1 ZINC001698999840 1176028507 /nfs/dbraw/zinc/02/85/07/1176028507.db2.gz ITKZCVZWJYYQEY-UHFFFAOYSA-N 2 0 264.373 1.309 10 30 CDEERP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001699023941 1176047377 /nfs/dbraw/zinc/04/73/77/1176047377.db2.gz WGWYHUBDHMTGQK-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001699734443 1176597664 /nfs/dbraw/zinc/59/76/64/1176597664.db2.gz NKYXZUYPNZSIOS-CABCVRRESA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001700362275 1176874691 /nfs/dbraw/zinc/87/46/91/1176874691.db2.gz ALBVTLASDVUUBX-INIZCTEOSA-N 2 0 291.439 1.418 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001700417276 1176917343 /nfs/dbraw/zinc/91/73/43/1176917343.db2.gz GBDIKTGJNQAUPH-QWHCGFSZSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001700531693 1177000395 /nfs/dbraw/zinc/00/03/95/1177000395.db2.gz OYWXRVQHZJZHSU-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001700679854 1177071557 /nfs/dbraw/zinc/07/15/57/1177071557.db2.gz FXOAWONSNBDXRC-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001700752694 1177114427 /nfs/dbraw/zinc/11/44/27/1177114427.db2.gz PTAXOOOYIJUCJE-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001712999403 1178293972 /nfs/dbraw/zinc/29/39/72/1178293972.db2.gz MKMWELROSMVPRF-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001713086486 1178359063 /nfs/dbraw/zinc/35/90/63/1178359063.db2.gz RRACXMLGTXBBSK-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001713343705 1178511121 /nfs/dbraw/zinc/51/11/21/1178511121.db2.gz ZNQVEAQEXWVOMR-CABCVRRESA-N 2 0 297.418 1.128 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713924603 1178849817 /nfs/dbraw/zinc/84/98/17/1178849817.db2.gz KWDGAZKDKCDUGL-DZGCQCFKSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001713938286 1178864805 /nfs/dbraw/zinc/86/48/05/1178864805.db2.gz WHFZRTLKKCLIST-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001714539191 1179195973 /nfs/dbraw/zinc/19/59/73/1179195973.db2.gz GIRGESOZTNMZDM-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C=C(C)CC[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001714565158 1179220966 /nfs/dbraw/zinc/22/09/66/1179220966.db2.gz VILFJKDXHCFYLD-CYBMUJFWSA-N 2 0 278.400 1.603 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001714614137 1179269064 /nfs/dbraw/zinc/26/90/64/1179269064.db2.gz IPCIIPSQLISWBF-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001714729270 1179362915 /nfs/dbraw/zinc/36/29/15/1179362915.db2.gz WPMDHZFEVWEEJR-UHFFFAOYSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001715029338 1179517272 /nfs/dbraw/zinc/51/72/72/1179517272.db2.gz DOUWBEWMGQPWSL-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001715304405 1179616836 /nfs/dbraw/zinc/61/68/36/1179616836.db2.gz OGCAQCIHBSCGSA-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001715463956 1179674510 /nfs/dbraw/zinc/67/45/10/1179674510.db2.gz YVXOOOCDOLRCHU-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001715539569 1179708549 /nfs/dbraw/zinc/70/85/49/1179708549.db2.gz LNHGGRNRZCMEJI-ZIAGYGMSSA-N 2 0 267.417 1.435 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001715891226 1179901015 /nfs/dbraw/zinc/90/10/15/1179901015.db2.gz SDPDTLAXBJPXIR-WAYWQWQTSA-N 2 0 293.455 1.945 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001715939335 1179930314 /nfs/dbraw/zinc/93/03/14/1179930314.db2.gz MXWXIXPITHEAAP-CYBMUJFWSA-N 2 0 281.444 1.920 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001716145898 1180071434 /nfs/dbraw/zinc/07/14/34/1180071434.db2.gz UWUDLCVAEMZUGE-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001716399090 1180186780 /nfs/dbraw/zinc/18/67/80/1180186780.db2.gz VXEZLMBURROSBJ-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001716410931 1180192370 /nfs/dbraw/zinc/19/23/70/1180192370.db2.gz OTMXUYGTOPAUEN-ZIAGYGMSSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1CC ZINC001716638608 1180317257 /nfs/dbraw/zinc/31/72/57/1180317257.db2.gz CHEUKFWJZGMQRE-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001717092943 1180529637 /nfs/dbraw/zinc/52/96/37/1180529637.db2.gz HIXZOHOUQDDERP-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001717125142 1180537900 /nfs/dbraw/zinc/53/79/00/1180537900.db2.gz GQZZKAOPRZYTTJ-WKILWMFISA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001717184015 1180564089 /nfs/dbraw/zinc/56/40/89/1180564089.db2.gz ULPSOARQVIBHGD-HNNXBMFYSA-N 2 0 297.443 1.111 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001717443130 1180675027 /nfs/dbraw/zinc/67/50/27/1180675027.db2.gz TXKGKIDHDWHCER-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001723203108 1181526142 /nfs/dbraw/zinc/52/61/42/1181526142.db2.gz JLEJUGQVTVEBHJ-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001723825264 1181607574 /nfs/dbraw/zinc/60/75/74/1181607574.db2.gz FYMJPQIWWQVEDG-CQSZACIVSA-N 2 0 281.444 1.824 10 30 CDEERP C#CC[N@H+]1CC[C@@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001724188177 1181650041 /nfs/dbraw/zinc/65/00/41/1181650041.db2.gz HDTOOYPTZJUNCQ-QGZVFWFLSA-N 2 0 291.439 1.466 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001725068812 1181844380 /nfs/dbraw/zinc/84/43/80/1181844380.db2.gz LGXAMMGLXOJLQQ-HWOWSKLDSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001725492473 1182023236 /nfs/dbraw/zinc/02/32/36/1182023236.db2.gz AEUDKUFEADNWPE-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[N@@H+](C)CCN(C(=O)C[NH+](C)C1CCC1)C(C)C ZINC001725728454 1182113768 /nfs/dbraw/zinc/11/37/68/1182113768.db2.gz QITGCDBJSDFNBZ-UHFFFAOYSA-N 2 0 281.444 1.826 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001731457858 1182398171 /nfs/dbraw/zinc/39/81/71/1182398171.db2.gz YTIZWBICTLUVAM-QAQDUYKDSA-N 2 0 299.418 1.622 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001731489192 1182416041 /nfs/dbraw/zinc/41/60/41/1182416041.db2.gz GSEBTYJVOXAKET-OKILXGFUSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001731561148 1182448285 /nfs/dbraw/zinc/44/82/85/1182448285.db2.gz ZHTSMEKRQLSERB-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001731561145 1182448471 /nfs/dbraw/zinc/44/84/71/1182448471.db2.gz ZHTSMEKRQLSERB-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001731705207 1182523978 /nfs/dbraw/zinc/52/39/78/1182523978.db2.gz VGBYEYNGRNHENW-CABCVRRESA-N 2 0 277.412 1.123 10 30 CDEERP CC#CC[N@H+](C)CCNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001731778270 1182570247 /nfs/dbraw/zinc/57/02/47/1182570247.db2.gz DDRJCADHMJBTES-UHFFFAOYSA-N 2 0 296.374 1.557 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001732297972 1182899704 /nfs/dbraw/zinc/89/97/04/1182899704.db2.gz AFBXPPBDUNGVJB-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001732892562 1183173923 /nfs/dbraw/zinc/17/39/23/1183173923.db2.gz RGUUDQLQQRBYCW-KXLSMFKISA-N 2 0 279.428 1.555 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001733200421 1183327547 /nfs/dbraw/zinc/32/75/47/1183327547.db2.gz QXRBDVQVBFIPLF-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001733935513 1183575659 /nfs/dbraw/zinc/57/56/59/1183575659.db2.gz IZXUPXFCSZIWLP-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001734060515 1183642570 /nfs/dbraw/zinc/64/25/70/1183642570.db2.gz VRGTVIIQUMASLA-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001734094191 1183654980 /nfs/dbraw/zinc/65/49/80/1183654980.db2.gz GMBRBTOPHDUPOS-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001734204027 1183689831 /nfs/dbraw/zinc/68/98/31/1183689831.db2.gz MPQCYQDFRWLFLO-IHRRRGAJSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001734420259 1183772464 /nfs/dbraw/zinc/77/24/64/1183772464.db2.gz CXBHQJFIVXXVNO-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001734429553 1183776264 /nfs/dbraw/zinc/77/62/64/1183776264.db2.gz UDKRKIHZLRTVNC-LSDHHAIUSA-N 2 0 291.439 1.627 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000876777289 697765515 /nfs/dbraw/zinc/76/55/15/697765515.db2.gz PKVRTUPQUUQQQE-OLZOCXBDSA-N 2 0 287.835 1.647 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1CCOC)NC(C)(C)C ZINC000103895659 698310973 /nfs/dbraw/zinc/31/09/73/698310973.db2.gz LWEFOYCOLKDFFL-ZDUSSCGKSA-N 2 0 284.448 1.451 10 30 CDEERP CC[NH+](CC)C[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852870471 698832066 /nfs/dbraw/zinc/83/20/66/698832066.db2.gz UHJLJOKUMCSFTO-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000876726924 698934378 /nfs/dbraw/zinc/93/43/78/698934378.db2.gz BSMSUURITGOWSS-PWSUYJOCSA-N 2 0 271.792 1.057 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000877159812 1165985964 /nfs/dbraw/zinc/98/59/64/1165985964.db2.gz MCJXJBXLTLOVOB-KBPBESRZSA-N 2 0 295.814 1.533 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCCC1 ZINC000877205385 848497977 /nfs/dbraw/zinc/49/79/77/848497977.db2.gz GMOJXGGFNPWSBE-SNVBAGLBSA-N 2 0 259.781 1.234 10 30 CDEERP C#CCNC(=O)CC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703356 848725812 /nfs/dbraw/zinc/72/58/12/848725812.db2.gz JLHRPEIEQSKJFF-UHFFFAOYSA-N 2 0 293.455 1.426 10 30 CDEERP C#C[C@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000847018307 848886762 /nfs/dbraw/zinc/88/67/62/848886762.db2.gz IYYMRWBEPBZXNP-KRWDZBQOSA-N 2 0 277.456 1.748 10 30 CDEERP C#C[C@@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000847018309 849569220 /nfs/dbraw/zinc/56/92/20/849569220.db2.gz IYYMRWBEPBZXNP-QGZVFWFLSA-N 2 0 277.456 1.748 10 30 CDEERP C[NH+]1CCN(c2ccc(C=[NH+]NC34CC(C3)C4)cc2)CC1 ZINC000842546782 849798129 /nfs/dbraw/zinc/79/81/29/849798129.db2.gz XOFMGVDEXOYBQA-UHFFFAOYSA-N 2 0 284.407 1.914 10 30 CDEERP CN(C)c1ccc(C#N)cc1C[NH2+]CCOCC[NH+](C)C ZINC000865530274 850028411 /nfs/dbraw/zinc/02/84/11/850028411.db2.gz GNDGLNDSZHEMMV-UHFFFAOYSA-N 2 0 290.411 1.292 10 30 CDEERP C#CC[C@H](COC)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000716912265 850048712 /nfs/dbraw/zinc/04/87/12/850048712.db2.gz CYCYHSNJEJIIRB-OAHLLOKOSA-N 2 0 273.380 1.678 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000876933009 850275297 /nfs/dbraw/zinc/27/52/97/850275297.db2.gz BTNYEXOFOQWHPC-VXGBXAGGSA-N 2 0 285.819 1.447 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001566671660 1168382131 /nfs/dbraw/zinc/38/21/31/1168382131.db2.gz DCTBBAMBXBPFEY-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001566723093 1168400713 /nfs/dbraw/zinc/40/07/13/1168400713.db2.gz VXNHJRDWFKBNSS-JKSUJKDBSA-N 2 0 291.439 1.367 10 30 CDEERP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001566880625 1168455061 /nfs/dbraw/zinc/45/50/61/1168455061.db2.gz BJKVLPVJGKOSQF-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001567281790 1168657443 /nfs/dbraw/zinc/65/74/43/1168657443.db2.gz GDHARHAAODWTTA-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[N@H+]1CCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001567379734 1168718144 /nfs/dbraw/zinc/71/81/44/1168718144.db2.gz BDDJULNTFMYVRT-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266716802 895898678 /nfs/dbraw/zinc/89/86/78/895898678.db2.gz PUZSWFPFLZHGOM-OAGGEKHMSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001267057231 896650170 /nfs/dbraw/zinc/65/01/70/896650170.db2.gz CWSTYWIRTUDZFY-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001267301681 897520576 /nfs/dbraw/zinc/52/05/76/897520576.db2.gz DHRVZKSNPAWZBO-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001267810925 899788317 /nfs/dbraw/zinc/78/83/17/899788317.db2.gz NWMNNPLWAKBCQW-CYBMUJFWSA-N 2 0 265.401 1.285 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001481340059 900452704 /nfs/dbraw/zinc/45/27/04/900452704.db2.gz OFVCQBBXBVIZDB-ZFWWWQNUSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001481496786 900923346 /nfs/dbraw/zinc/92/33/46/900923346.db2.gz FVBBTKKCLVJMLO-GJZGRUSLSA-N 2 0 279.428 1.295 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001481496788 900923494 /nfs/dbraw/zinc/92/34/94/900923494.db2.gz FVBBTKKCLVJMLO-LSDHHAIUSA-N 2 0 279.428 1.295 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268080571 901127105 /nfs/dbraw/zinc/12/71/05/901127105.db2.gz ITZHBAARXHAQRS-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001481677425 901780352 /nfs/dbraw/zinc/78/03/52/901780352.db2.gz FAVSRCSDXIEJME-JYJNAYRXSA-N 2 0 291.439 1.580 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001481695399 901819312 /nfs/dbraw/zinc/81/93/12/901819312.db2.gz DERLFWZOCQRKAY-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001481694822 901820914 /nfs/dbraw/zinc/82/09/14/901820914.db2.gz RRVRDNXLFSUJCY-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268522647 902502546 /nfs/dbraw/zinc/50/25/46/902502546.db2.gz MLANCYPFIPSETG-KXLSMFKISA-N 2 0 279.428 1.697 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=C)Cl ZINC001482109583 902652401 /nfs/dbraw/zinc/65/24/01/902652401.db2.gz GSBSPOIDNMGLQB-JSGCOSHPSA-N 2 0 297.830 1.178 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001482110195 902657252 /nfs/dbraw/zinc/65/72/52/902657252.db2.gz LXUNSTLRLCXTJW-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001268582109 902665542 /nfs/dbraw/zinc/66/55/42/902665542.db2.gz GAKWEDJTJLGGBE-LLYBFZRZSA-N 2 0 277.412 1.004 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268668146 902925540 /nfs/dbraw/zinc/92/55/40/902925540.db2.gz MMZVSRRHMVYXNR-CQSZACIVSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268847767 903177918 /nfs/dbraw/zinc/17/79/18/903177918.db2.gz MYSUUSCZIIONHQ-MRXNPFEDSA-N 2 0 299.434 1.823 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001269072098 903393215 /nfs/dbraw/zinc/39/32/15/903393215.db2.gz YAHZRTABCJSDPN-RRFJBIMHSA-N 2 0 279.428 1.387 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001269246172 903605108 /nfs/dbraw/zinc/60/51/08/903605108.db2.gz SWPNYYBGQKXWKL-INIZCTEOSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482324345 905022310 /nfs/dbraw/zinc/02/23/10/905022310.db2.gz VGAOXYJQQVGOAK-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001271528946 906503344 /nfs/dbraw/zinc/50/33/44/906503344.db2.gz DASCIZBPZAMHMW-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001271759046 906780916 /nfs/dbraw/zinc/78/09/16/906780916.db2.gz LFAOLQLRWSZMRL-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)C(C)C ZINC001483097048 909334058 /nfs/dbraw/zinc/33/40/58/909334058.db2.gz HZJHDNPDZQMSFP-WAYWQWQTSA-N 2 0 273.808 1.341 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001483152422 909858133 /nfs/dbraw/zinc/85/81/33/909858133.db2.gz BIZVPXPNMDUGHI-CQSZACIVSA-N 2 0 287.407 1.132 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001483158641 909883373 /nfs/dbraw/zinc/88/33/73/909883373.db2.gz APEUVWXRAKNTOL-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001483354015 910964692 /nfs/dbraw/zinc/96/46/92/910964692.db2.gz PGKAQJVOSOBREK-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001483877013 915166242 /nfs/dbraw/zinc/16/62/42/915166242.db2.gz LQEHTPNXHGIJIB-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483955610 915241237 /nfs/dbraw/zinc/24/12/37/915241237.db2.gz MJYZEJRKCBZUOH-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001484095100 915429170 /nfs/dbraw/zinc/42/91/70/915429170.db2.gz BHJKJZCSGLDWTC-NVXWUHKLSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001484378291 915693189 /nfs/dbraw/zinc/69/31/89/915693189.db2.gz WOUUXKQXOFTEKJ-LSDHHAIUSA-N 2 0 295.471 1.834 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001484724008 916081119 /nfs/dbraw/zinc/08/11/19/916081119.db2.gz MDBXEPGIJRSZRZ-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001484910211 916261559 /nfs/dbraw/zinc/26/15/59/916261559.db2.gz STILGHJSGSAFNE-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001485094754 916508637 /nfs/dbraw/zinc/50/86/37/916508637.db2.gz UIVQFXMFWOHUMN-GPANFISMSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001485350751 916872398 /nfs/dbraw/zinc/87/23/98/916872398.db2.gz RBVGCLDVHOSIIA-UONOGXRCSA-N 2 0 267.417 1.177 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001485509956 917051108 /nfs/dbraw/zinc/05/11/08/917051108.db2.gz PNAMNMCFLCLZRP-LBPRGKRZSA-N 2 0 265.401 1.093 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001568325836 1169246332 /nfs/dbraw/zinc/24/63/32/1169246332.db2.gz QTWVAIGCVXJDGC-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001490931943 936832039 /nfs/dbraw/zinc/83/20/39/936832039.db2.gz JPUGFISSTTXOAZ-JYJNAYRXSA-N 2 0 291.439 1.511 10 30 CDEERP C#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001491211159 936876791 /nfs/dbraw/zinc/87/67/91/936876791.db2.gz YLNQADCYGBXOOM-HNNXBMFYSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001490605930 927259254 /nfs/dbraw/zinc/25/92/54/927259254.db2.gz NWRFQJCCDLUXHM-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001494856229 932130490 /nfs/dbraw/zinc/13/04/90/932130490.db2.gz RTCASAOPSRDABI-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001276052904 932476395 /nfs/dbraw/zinc/47/63/95/932476395.db2.gz PGYTVXMCOHTEPQ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568632900 1169408793 /nfs/dbraw/zinc/40/87/93/1169408793.db2.gz SEUANFLFWINSLX-UKRRQHHQSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NC(C)(C)C[N@@H+](C)CCC ZINC001122160419 937909617 /nfs/dbraw/zinc/90/96/17/937909617.db2.gz OFZQXSAFUQLWMJ-ZDUSSCGKSA-N 2 0 269.433 1.907 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001568669674 1169423487 /nfs/dbraw/zinc/42/34/87/1169423487.db2.gz ULMXPKIETOXAEB-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001276601683 940408783 /nfs/dbraw/zinc/40/87/83/940408783.db2.gz RQOIVNHUINYEBN-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CN1CC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001276923499 941701273 /nfs/dbraw/zinc/70/12/73/941701273.db2.gz JGKBHEDZVUQZOJ-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001277046306 941864094 /nfs/dbraw/zinc/86/40/94/941864094.db2.gz NAUUDNMQQITDBF-KKUMJFAQSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001277258995 942252297 /nfs/dbraw/zinc/25/22/97/942252297.db2.gz GLKUGUBFHGFGPS-CHWSQXEVSA-N 2 0 265.401 1.284 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCC1 ZINC001280544786 942459623 /nfs/dbraw/zinc/45/96/23/942459623.db2.gz FPYWUZPZYOXOBF-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001281957635 942637516 /nfs/dbraw/zinc/63/75/16/942637516.db2.gz SIDONFKBPZQHAT-HNNXBMFYSA-N 2 0 279.428 1.437 10 30 CDEERP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001282677536 942737780 /nfs/dbraw/zinc/73/77/80/942737780.db2.gz BILPKTAEQMYLMH-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CCC)CCC[C@@H]12 ZINC001284071015 943069915 /nfs/dbraw/zinc/06/99/15/943069915.db2.gz LBZRWACLHFZVOL-NVXWUHKLSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001284322975 943148715 /nfs/dbraw/zinc/14/87/15/943148715.db2.gz KEPMRSLCXXVDLT-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)CCc1c[nH]cn1)C(C)C ZINC001284537710 943203829 /nfs/dbraw/zinc/20/38/29/943203829.db2.gz QXPYHPULGRRNMK-UHFFFAOYSA-N 2 0 290.411 1.534 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001263905353 944026103 /nfs/dbraw/zinc/02/61/03/944026103.db2.gz VZWSSJBJZWONIK-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001264012262 944062772 /nfs/dbraw/zinc/06/27/72/944062772.db2.gz KFBSQXINCHKQMM-CQSZACIVSA-N 2 0 269.433 1.731 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1CC ZINC001264055874 944072217 /nfs/dbraw/zinc/07/22/17/944072217.db2.gz RITNLEWAWHFVCU-LSDHHAIUSA-N 2 0 277.412 1.073 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001264195500 944097770 /nfs/dbraw/zinc/09/77/70/944097770.db2.gz UDZDNEUHAZQNTI-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001264401449 944126485 /nfs/dbraw/zinc/12/64/85/944126485.db2.gz AZIDVWQXYLYYBO-YHUYYLMFSA-N 2 0 293.455 1.777 10 30 CDEERP C#CCC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)CCC)CC1 ZINC001265199903 944267955 /nfs/dbraw/zinc/26/79/55/944267955.db2.gz FKHGZIBYRPXESG-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001265553781 944427443 /nfs/dbraw/zinc/42/74/43/944427443.db2.gz BXBMLAZOZRRDTH-HRCADAONSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265573071 944432936 /nfs/dbraw/zinc/43/29/36/944432936.db2.gz SJTYVWHFXGNYGH-OWCLPIDISA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001265591349 944440688 /nfs/dbraw/zinc/44/06/88/944440688.db2.gz SPJYWOGYAJIPTJ-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001265597054 944442137 /nfs/dbraw/zinc/44/21/37/944442137.db2.gz PNECMPCTLQIYAB-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001265682560 944468397 /nfs/dbraw/zinc/46/83/97/944468397.db2.gz UGGKESDTECADHH-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266023440 944638083 /nfs/dbraw/zinc/63/80/83/944638083.db2.gz LSHYDSFJKNCJGU-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001266070108 944663252 /nfs/dbraw/zinc/66/32/52/944663252.db2.gz NJALWQTXDAGLRZ-CYBMUJFWSA-N 2 0 287.835 1.661 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001568850367 1169517395 /nfs/dbraw/zinc/51/73/95/1169517395.db2.gz KROIICRXDCDWMR-WSNITJDQSA-N 2 0 299.846 1.874 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001568970149 1169568056 /nfs/dbraw/zinc/56/80/56/1169568056.db2.gz TYBOZPPNSTTYAM-JRIJJQDJSA-N 2 0 279.428 1.697 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001278973353 948442200 /nfs/dbraw/zinc/44/22/00/948442200.db2.gz SGZYUIABPQPINY-CHWSQXEVSA-N 2 0 269.433 1.633 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001278607750 950430751 /nfs/dbraw/zinc/43/07/51/950430751.db2.gz HNQDHAZJNRXKBQ-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001480595542 971800354 /nfs/dbraw/zinc/80/03/54/971800354.db2.gz CBTWMHJBTMADBG-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[N@H+](CCC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001493325990 972018591 /nfs/dbraw/zinc/01/85/91/972018591.db2.gz VMSXXWCXCTXSOC-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001326929967 954625460 /nfs/dbraw/zinc/62/54/60/954625460.db2.gz YJHQHFLAMJYHFC-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001327213441 954773580 /nfs/dbraw/zinc/77/35/80/954773580.db2.gz REFQXVNBCQSTJE-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329102803 955686321 /nfs/dbraw/zinc/68/63/21/955686321.db2.gz HKWVKUCDJGGDKJ-KBPBESRZSA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001329170579 955732732 /nfs/dbraw/zinc/73/27/32/955732732.db2.gz IOASSMHXFLKECD-OLZOCXBDSA-N 2 0 255.406 1.387 10 30 CDEERP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001329439731 955917612 /nfs/dbraw/zinc/91/76/12/955917612.db2.gz BURITCJKTDOZTG-HIFRSBDPSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[NH+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494073129 972171769 /nfs/dbraw/zinc/17/17/69/972171769.db2.gz ICIGLPOPXVQSMY-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494181134 972194684 /nfs/dbraw/zinc/19/46/84/972194684.db2.gz QEIUWYGZUCSJPH-LSDHHAIUSA-N 2 0 279.428 1.295 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001317539888 956840561 /nfs/dbraw/zinc/84/05/61/956840561.db2.gz ADEWEITZAKPDBJ-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001331311180 956960005 /nfs/dbraw/zinc/96/00/05/956960005.db2.gz YYGIFVLPIKJRFC-HNNXBMFYSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001316902739 957108511 /nfs/dbraw/zinc/10/85/11/957108511.db2.gz CTXMMRCMWUIJAI-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317156337 957309473 /nfs/dbraw/zinc/30/94/73/957309473.db2.gz VBQUFGJONZXFLK-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317206054 957343056 /nfs/dbraw/zinc/34/30/56/957343056.db2.gz RANQLDRWCNGLAO-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001317336306 957427946 /nfs/dbraw/zinc/42/79/46/957427946.db2.gz HYXAUECAVJQTRL-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001317435837 957469374 /nfs/dbraw/zinc/46/93/74/957469374.db2.gz PDXDJHNAMOBFTG-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001317598053 957590101 /nfs/dbraw/zinc/59/01/01/957590101.db2.gz FXQKJQNOXMQCCQ-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001317625566 957606873 /nfs/dbraw/zinc/60/68/73/957606873.db2.gz GTBAYLRQDJJKFP-UHFFFAOYSA-N 2 0 283.460 1.979 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001317840953 957691544 /nfs/dbraw/zinc/69/15/44/957691544.db2.gz XZPJNYZRCNKEDS-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001332997817 958003588 /nfs/dbraw/zinc/00/35/88/958003588.db2.gz LSOBTIKSIDEOJN-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001368015017 958579372 /nfs/dbraw/zinc/57/93/72/958579372.db2.gz IRVPYEUSICHJQT-STQMWFEESA-N 2 0 299.846 1.708 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001368034157 958599046 /nfs/dbraw/zinc/59/90/46/958599046.db2.gz OMFIXOJHAWQRHV-UHFFFAOYSA-N 2 0 271.792 1.073 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001320445751 959177350 /nfs/dbraw/zinc/17/73/50/959177350.db2.gz JDCRQOKHYMQCOZ-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001495136370 972423167 /nfs/dbraw/zinc/42/31/67/972423167.db2.gz HWNWSIMYRYZYEB-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)c1ccc2c[nH+]cn2c1C ZINC001320776788 959385474 /nfs/dbraw/zinc/38/54/74/959385474.db2.gz CULLDCZJLWRYEB-UHFFFAOYSA-N 2 0 298.390 1.718 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001495376786 972485162 /nfs/dbraw/zinc/48/51/62/972485162.db2.gz AJYDJNLOSBELNE-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001324175394 961217082 /nfs/dbraw/zinc/21/70/82/961217082.db2.gz MXYHZSNEAIAOLB-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC001340751007 963105706 /nfs/dbraw/zinc/10/57/06/963105706.db2.gz MEYHKIKIJJPEDF-ZIAGYGMSSA-N 2 0 265.401 1.223 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001341625948 963489134 /nfs/dbraw/zinc/48/91/34/963489134.db2.gz FGXGSUJNEISUIM-LLVKDONJSA-N 2 0 265.744 1.698 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001343217181 963930412 /nfs/dbraw/zinc/93/04/12/963930412.db2.gz MYTXYKASIAFCDF-FZKCQIBNSA-N 2 0 293.455 1.859 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC001344081521 964228635 /nfs/dbraw/zinc/22/86/35/964228635.db2.gz MAQVFTMIUYQPTM-CABCVRRESA-N 2 0 297.443 1.239 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480120956 967117409 /nfs/dbraw/zinc/11/74/09/967117409.db2.gz YFHIEEAFGKJJID-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480515441 968050473 /nfs/dbraw/zinc/05/04/73/968050473.db2.gz GGOBXQJOZCEATP-GFCCVEGCSA-N 2 0 287.835 1.708 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001480614983 970079378 /nfs/dbraw/zinc/07/93/78/970079378.db2.gz ZVOOZQYJWXRKQF-LSDHHAIUSA-N 2 0 277.412 1.095 10 30 CDEERP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001495884314 972685411 /nfs/dbraw/zinc/68/54/11/972685411.db2.gz LMNWZTDIHKALCG-OAHLLOKOSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCCC[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001569651463 1169953662 /nfs/dbraw/zinc/95/36/62/1169953662.db2.gz RWKKMXMIKMWPJG-INIZCTEOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001417777201 973379091 /nfs/dbraw/zinc/37/90/91/973379091.db2.gz DIJKKJSPURQEMD-BETUJISGSA-N 2 0 287.835 1.564 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001498786390 974061130 /nfs/dbraw/zinc/06/11/30/974061130.db2.gz PKAWFEKKAGEFGG-OAHLLOKOSA-N 2 0 291.439 1.675 10 30 CDEERP C=CCC[NH+]1CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001499101306 974185897 /nfs/dbraw/zinc/18/58/97/974185897.db2.gz XDEYZQXQLDKDPX-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001500505308 974445973 /nfs/dbraw/zinc/44/59/73/974445973.db2.gz MLQLNLZQHRKMHA-ZBFHGGJFSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001501133115 974539403 /nfs/dbraw/zinc/53/94/03/974539403.db2.gz SIZVODHQVCCEOU-CABCVRRESA-N 2 0 293.455 1.588 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001502367394 974725644 /nfs/dbraw/zinc/72/56/44/974725644.db2.gz GUDHDFFHURCFOM-HOTGVXAUSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001506158221 975118912 /nfs/dbraw/zinc/11/89/12/975118912.db2.gz FXVLCHNNKKMFCT-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001379521413 975902022 /nfs/dbraw/zinc/90/20/22/975902022.db2.gz JTJOWCLMIBYRKS-ZDUSSCGKSA-N 2 0 299.846 1.709 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001407555551 976687862 /nfs/dbraw/zinc/68/78/62/976687862.db2.gz VOBMEXPUYBKVJQ-STQMWFEESA-N 2 0 287.835 1.517 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001675745794 1174144038 /nfs/dbraw/zinc/14/40/38/1174144038.db2.gz NOCNSSJDLPTFFM-KBUPBQIOSA-N 2 0 279.428 1.387 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001676754599 1174267460 /nfs/dbraw/zinc/26/74/60/1174267460.db2.gz GHNHGQNRAAMYEH-KGLIPLIRSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001676814595 1174276689 /nfs/dbraw/zinc/27/66/89/1174276689.db2.gz IKFSCCLDYHBKJU-GOEBONIOSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)CC1(C)C ZINC001677033027 1174309124 /nfs/dbraw/zinc/30/91/24/1174309124.db2.gz QMWOTRATRDGWHW-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001677286181 1174345038 /nfs/dbraw/zinc/34/50/38/1174345038.db2.gz BPIOMCREIIIPJV-HNNXBMFYSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001570197792 1170103274 /nfs/dbraw/zinc/10/32/74/1170103274.db2.gz UKWNLFNRALUFHF-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001570196591 1170109303 /nfs/dbraw/zinc/10/93/03/1170109303.db2.gz LDLNWDQPORJBHW-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001570780757 1170279665 /nfs/dbraw/zinc/27/96/65/1170279665.db2.gz BTXOIOHPXXOJFJ-CABCVRRESA-N 2 0 279.428 1.034 10 30 CDEERP C#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001570826848 1170290217 /nfs/dbraw/zinc/29/02/17/1170290217.db2.gz FFKBCIKKKHGMKE-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP COc1cc(C[NH2+]CCC2(C[NH3+])CC2)ccc1C#N ZINC000593315666 342787979 /nfs/dbraw/zinc/78/79/79/342787979.db2.gz KMGDKZLEKVLMTL-UHFFFAOYSA-N 2 0 259.353 1.785 10 30 CDEERP C[NH+]1CCC(CCNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594436195 342899164 /nfs/dbraw/zinc/89/91/64/342899164.db2.gz BRYWWGXPWXOCPK-AWEZNQCLSA-N 2 0 280.416 1.246 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000594435856 342899168 /nfs/dbraw/zinc/89/91/68/342899168.db2.gz ANELCBZIBNZQJI-LSDHHAIUSA-N 2 0 292.427 1.484 10 30 CDEERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436677 342899422 /nfs/dbraw/zinc/89/94/22/342899422.db2.gz FJOXARVOSSRABU-KFWWJZLASA-N 2 0 294.443 1.777 10 30 CDEERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594438901 342906651 /nfs/dbraw/zinc/90/66/51/342906651.db2.gz MTRMSRGWSPHPLJ-GJZGRUSLSA-N 2 0 294.443 1.588 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000594442031 342907763 /nfs/dbraw/zinc/90/77/63/342907763.db2.gz ZSMGOFSBMHEIJG-LSDHHAIUSA-N 2 0 292.427 1.484 10 30 CDEERP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CC[NH3+] ZINC000594454114 342911249 /nfs/dbraw/zinc/91/12/49/342911249.db2.gz TYNDOECTADRUMN-HZSPNIEDSA-N 2 0 280.416 1.374 10 30 CDEERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594424408 342904042 /nfs/dbraw/zinc/90/40/42/342904042.db2.gz DDPVDPJRVXFLAX-WFASDCNBSA-N 2 0 288.395 1.734 10 30 CDEERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595935506 343201348 /nfs/dbraw/zinc/20/13/48/343201348.db2.gz DVJIEOGTGQNODT-KGLIPLIRSA-N 2 0 294.443 1.634 10 30 CDEERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CC3)CC[C@@H]21 ZINC000528408258 367830189 /nfs/dbraw/zinc/83/01/89/367830189.db2.gz SSIBXYVREXJESR-ILXRZTDVSA-N 2 0 277.412 1.457 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001661437016 1172390685 /nfs/dbraw/zinc/39/06/85/1172390685.db2.gz WUAYIOUKPGBKKV-FPCVCCKLSA-N 2 0 291.439 1.816 10 30 CDEERP C=CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001661554594 1172405445 /nfs/dbraw/zinc/40/54/45/1172405445.db2.gz DAVSPIBIVSQAEW-HZPDHXFCSA-N 2 0 293.455 1.826 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001661655073 1172422274 /nfs/dbraw/zinc/42/22/74/1172422274.db2.gz WZHPPQIXQZRPSK-QXSJWSMHSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001661661177 1172424112 /nfs/dbraw/zinc/42/41/12/1172424112.db2.gz GOADQNWBESEHMG-IYBDPMFKSA-N 2 0 293.455 1.921 10 30 CDEERP CC[NH+]1CCN(CCC[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352837536 374368361 /nfs/dbraw/zinc/36/83/61/374368361.db2.gz BESHALBJCBHAGR-UHFFFAOYSA-N 2 0 293.440 1.132 10 30 CDEERP C[N@H+]1C[C@@H]2C[NH+](CCCOc3cccc(C#N)c3)C[C@@H]2C1 ZINC000193631923 375884365 /nfs/dbraw/zinc/88/43/65/375884365.db2.gz PZYOFDQJILNJSK-IYBDPMFKSA-N 2 0 285.391 1.821 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000417528429 377877994 /nfs/dbraw/zinc/87/79/94/377877994.db2.gz ONBIFGLGDFSGRC-HNNXBMFYSA-N 2 0 292.427 1.173 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000417545171 377932348 /nfs/dbraw/zinc/93/23/48/377932348.db2.gz XNVXGTNXYQULSE-DZGCQCFKSA-N 2 0 294.443 1.324 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]([NH3+])c2ccccc2)CCC[NH2+]1 ZINC000662412437 412981160 /nfs/dbraw/zinc/98/11/60/412981160.db2.gz FMSXOJXSZIHIQE-HOCLYGCPSA-N 2 0 273.380 1.501 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001663683908 1172745233 /nfs/dbraw/zinc/74/52/33/1172745233.db2.gz KPDJTSNBUGDLHE-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CCC[NH2+]1 ZINC000662688092 413315099 /nfs/dbraw/zinc/31/50/99/413315099.db2.gz MJGMKRDSNMEMKT-GDBMZVCRSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CCC[NH2+]1 ZINC000662743944 413418006 /nfs/dbraw/zinc/41/80/06/413418006.db2.gz ACZXWRVMUHRATL-BBRMVZONSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCC[NH2+]1 ZINC000662759258 413445671 /nfs/dbraw/zinc/44/56/71/413445671.db2.gz BUBKATSUYRVXGX-NVXWUHKLSA-N 2 0 291.439 1.675 10 30 CDEERP C=CC[C@]1(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCC[NH2+]1 ZINC000662767262 413462836 /nfs/dbraw/zinc/46/28/36/413462836.db2.gz SWNIVAYYXZLSAC-DSJMHWKBSA-N 2 0 277.412 1.271 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC[N@@H+](C(C)C)CC2)CCC[NH2+]1 ZINC000662822294 413550494 /nfs/dbraw/zinc/55/04/94/413550494.db2.gz MPBJHWURQYGRKZ-INIZCTEOSA-N 2 0 279.428 1.627 10 30 CDEERP CCN[C@](C)(C#N)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045182203 175325320 /nfs/dbraw/zinc/32/53/20/175325320.db2.gz WSPZZFURESPQCV-HNNXBMFYSA-N 2 0 266.433 1.542 10 30 CDEERP C[N@H+](CCOc1ccc(C#N)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071189124 176064450 /nfs/dbraw/zinc/06/44/50/176064450.db2.gz ZLZYWKLWKXPGBS-HNNXBMFYSA-N 2 0 273.380 1.821 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001666425170 1173133952 /nfs/dbraw/zinc/13/39/52/1173133952.db2.gz HWUCHMCUMZKDEW-CABCVRRESA-N 2 0 297.418 1.270 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001666808501 1173188159 /nfs/dbraw/zinc/18/81/59/1173188159.db2.gz LIGJKYZLJAASQU-UHFFFAOYSA-N 2 0 279.428 1.677 10 30 CDEERP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N(C)Cc1cccn1C ZINC000160921279 264267852 /nfs/dbraw/zinc/26/78/52/264267852.db2.gz UWJOMUQBRWNHEU-CYBMUJFWSA-N 2 0 277.416 1.127 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001667100627 1173234507 /nfs/dbraw/zinc/23/45/07/1173234507.db2.gz GFDSMWBPGSNLFY-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001670357471 1173674714 /nfs/dbraw/zinc/67/47/14/1173674714.db2.gz GZQKKPPSSOIWGS-UHFFFAOYSA-N 2 0 275.824 1.517 10 30 CDEERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(CC#N)cc1 ZINC000565950855 327094932 /nfs/dbraw/zinc/09/49/32/327094932.db2.gz ABVMWYNLNNYYPB-OAHLLOKOSA-N 2 0 261.369 1.596 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001731607974 1159315320 /nfs/dbraw/zinc/31/53/20/1159315320.db2.gz IIDMLBKYLCSAPG-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268364281 1159902457 /nfs/dbraw/zinc/90/24/57/1159902457.db2.gz BZBDLWKZGSKJMD-HUUCEWRRSA-N 2 0 279.428 1.367 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482331147 1160155256 /nfs/dbraw/zinc/15/52/56/1160155256.db2.gz OCGXZCIINCBVOX-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)[C@@H](CO)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000677133456 482542616 /nfs/dbraw/zinc/54/26/16/482542616.db2.gz WRLIUABXQBKGJR-OAHLLOKOSA-N 2 0 252.402 1.731 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001715711993 1179772310 /nfs/dbraw/zinc/77/23/10/1179772310.db2.gz GSTQZQUJRSIOKE-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP CC(C)[NH+]1CCN(Cc2ccc(F)c(C#CC[NH3+])c2)CC1 ZINC000049609282 519682007 /nfs/dbraw/zinc/68/20/07/519682007.db2.gz RKYSZYJZIRBMCE-UHFFFAOYSA-N 2 0 289.398 1.662 10 30 CDEERP CCN[C@@](C#N)(CN1CCC([NH+](C)C)CC1)C1CC1 ZINC000069078169 520126767 /nfs/dbraw/zinc/12/67/67/520126767.db2.gz WQXMCHHURXVPBI-HNNXBMFYSA-N 2 0 264.417 1.294 10 30 CDEERP CC[NH+]1CCN(Cc2ccc(OC)c(C#CC[NH3+])c2)CC1 ZINC000049608711 521688670 /nfs/dbraw/zinc/68/86/70/521688670.db2.gz WQUOXDZHEDKCDA-UHFFFAOYSA-N 2 0 287.407 1.143 10 30 CDEERP COC(=O)C1CC[NH+](Cc2cccc(C#CC[NH3+])c2)CC1 ZINC000049608340 522916322 /nfs/dbraw/zinc/91/63/22/522916322.db2.gz MNHNFPOMWVWZGV-UHFFFAOYSA-N 2 0 286.375 1.382 10 30 CDEERP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1)C[C@H]1CCCO1 ZINC000049609676 523203372 /nfs/dbraw/zinc/20/33/72/523203372.db2.gz CMQGYUHAWLWSOJ-MRXNPFEDSA-N 2 0 258.365 1.608 10 30 CDEERP C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000049561925 524472482 /nfs/dbraw/zinc/47/24/82/524472482.db2.gz OXBMFLVSDJDEDL-LBPRGKRZSA-N 2 0 291.370 1.206 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001691760495 1174724036 /nfs/dbraw/zinc/72/40/36/1174724036.db2.gz ZLASDUKYOGJVOD-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000764568826 575921136 /nfs/dbraw/zinc/92/11/36/575921136.db2.gz CKAZVASLMLPPIJ-TZMCWYRMSA-N 2 0 267.417 1.293 10 30 CDEERP C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000939806255 612970274 /nfs/dbraw/zinc/97/02/74/612970274.db2.gz FASOOOUVWKHKIE-WMLDXEAASA-N 2 0 299.418 1.432 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000939316003 612975615 /nfs/dbraw/zinc/97/56/15/612975615.db2.gz PMQKGSMLZQVDEL-YOEHRIQHSA-N 2 0 299.418 1.432 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941220811 613581178 /nfs/dbraw/zinc/58/11/78/613581178.db2.gz IDPXFIKZEPWZTD-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP COc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)ccc1C#N ZINC000925669017 617626043 /nfs/dbraw/zinc/62/60/43/617626043.db2.gz NPUKJFKSWMTJAV-LSDHHAIUSA-N 2 0 271.364 1.926 10 30 CDEERP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925859683 617898915 /nfs/dbraw/zinc/89/89/15/617898915.db2.gz XPOIJMHHBZTKTE-HZSPNIEDSA-N 2 0 291.395 1.344 10 30 CDEERP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426929 618333467 /nfs/dbraw/zinc/33/34/67/618333467.db2.gz HWRPBWIRZFJBDM-GJZGRUSLSA-N 2 0 252.402 1.779 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000899952762 622574034 /nfs/dbraw/zinc/57/40/34/622574034.db2.gz QUDXLTXKFFAZFT-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000900833623 623548484 /nfs/dbraw/zinc/54/84/84/623548484.db2.gz UGTZPEANRJAQJV-CYBMUJFWSA-N 2 0 269.433 1.587 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000901024983 623818802 /nfs/dbraw/zinc/81/88/02/623818802.db2.gz YIMIPBXEVZAETI-OAHLLOKOSA-N 2 0 281.444 1.588 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000908361408 628158711 /nfs/dbraw/zinc/15/87/11/628158711.db2.gz BBWZKHZKYKLYDU-HNNXBMFYSA-N 2 0 265.401 1.049 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913274373 630426539 /nfs/dbraw/zinc/42/65/39/630426539.db2.gz MNFRXWNDIMILIK-IYBDPMFKSA-N 2 0 279.428 1.295 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001266626670 1158704627 /nfs/dbraw/zinc/70/46/27/1158704627.db2.gz SKAFTWFMDHJGGQ-YHUYYLMFSA-N 2 0 289.423 1.263 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001724860722 1158839902 /nfs/dbraw/zinc/83/99/02/1158839902.db2.gz QEINPBCALWHKNG-MRXNPFEDSA-N 2 0 293.455 1.520 10 30 CDEERP C=C(C)C[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001691222754 1158965314 /nfs/dbraw/zinc/96/53/14/1158965314.db2.gz HAEHZUNIEXLUOM-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001269236093 1160044084 /nfs/dbraw/zinc/04/40/84/1160044084.db2.gz VOFQUCXLBIUDFJ-QLFBSQMISA-N 2 0 279.428 1.483 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001691623361 1160721651 /nfs/dbraw/zinc/72/16/51/1160721651.db2.gz UGNKERGZUYCRLT-CYBMUJFWSA-N 2 0 287.835 1.661 10 30 CDEERP C=CC[NH+](CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001566600954 1168352773 /nfs/dbraw/zinc/35/27/73/1168352773.db2.gz RRGIMMSFBXJRDC-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001567155120 1168599864 /nfs/dbraw/zinc/59/98/64/1168599864.db2.gz MEYBAJHJAXAUEM-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001567681179 1168914798 /nfs/dbraw/zinc/91/47/98/1168914798.db2.gz NTQVRKFNQGPMEP-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001567964908 1169098337 /nfs/dbraw/zinc/09/83/37/1169098337.db2.gz PRZFEMKUBOVZBN-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001568075835 1169132734 /nfs/dbraw/zinc/13/27/34/1169132734.db2.gz IVUXPVPARJBJEC-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001569329718 1169767816 /nfs/dbraw/zinc/76/78/16/1169767816.db2.gz SMURTDJWSNGUFZ-HUUCEWRRSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001661510521 1172400193 /nfs/dbraw/zinc/40/01/93/1172400193.db2.gz CXCHCMCYUCBKDZ-KKUMJFAQSA-N 2 0 277.412 1.121 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001661506058 1172400273 /nfs/dbraw/zinc/40/02/73/1172400273.db2.gz SADSXBQRSSBDEH-SHTZXODSSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001662349523 1172533877 /nfs/dbraw/zinc/53/38/77/1172533877.db2.gz DBYLMVZUUDHUHL-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001664452768 1172855760 /nfs/dbraw/zinc/85/57/60/1172855760.db2.gz VUGZSCODMPLSHK-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001666303110 1173124478 /nfs/dbraw/zinc/12/44/78/1173124478.db2.gz YVECFWYIBMSZIY-SHTZXODSSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001666417897 1173134236 /nfs/dbraw/zinc/13/42/36/1173134236.db2.gz QQEYBOGHKQFIGS-RBSFLKMASA-N 2 0 279.428 1.483 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001667007448 1173221265 /nfs/dbraw/zinc/22/12/65/1173221265.db2.gz AZRFNPUSKZOBCP-CABCVRRESA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001667117970 1173236359 /nfs/dbraw/zinc/23/63/59/1173236359.db2.gz HWVHHYWICMEGDL-CABCVRRESA-N 2 0 281.444 1.635 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001669328887 1173536845 /nfs/dbraw/zinc/53/68/45/1173536845.db2.gz SFJLDKDAERPXAP-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001669698487 1173586390 /nfs/dbraw/zinc/58/63/90/1173586390.db2.gz XYGJEMZUEUCZOZ-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001673306416 1173844354 /nfs/dbraw/zinc/84/43/54/1173844354.db2.gz WGBWKYSYAUWPIN-OAHLLOKOSA-N 2 0 297.443 1.111 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001676369988 1174215859 /nfs/dbraw/zinc/21/58/59/1174215859.db2.gz YZNQVPPJDMJXMB-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001676757556 1174268077 /nfs/dbraw/zinc/26/80/77/1174268077.db2.gz ZYNTVJRWBXNVEL-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001690737878 1175559472 /nfs/dbraw/zinc/55/94/72/1175559472.db2.gz ACHXEQIBBBBOBL-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001690826328 1175583679 /nfs/dbraw/zinc/58/36/79/1175583679.db2.gz DOSYUVXMIKFXOQ-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001691882419 1175645358 /nfs/dbraw/zinc/64/53/58/1175645358.db2.gz NGOWCDSXNWQMPU-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001691979694 1175662619 /nfs/dbraw/zinc/66/26/19/1175662619.db2.gz RBMHKBRORHNMPD-KBPBESRZSA-N 2 0 267.417 1.293 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001692128135 1175681254 /nfs/dbraw/zinc/68/12/54/1175681254.db2.gz HAVCULLBPRGCJR-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001698601583 1175867746 /nfs/dbraw/zinc/86/77/46/1175867746.db2.gz RHINXNJHUBIHJR-GJZGRUSLSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001698680215 1175894190 /nfs/dbraw/zinc/89/41/90/1175894190.db2.gz WUWBCGFKQMQYII-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001698917007 1175984104 /nfs/dbraw/zinc/98/41/04/1175984104.db2.gz GNEYCHTXLGYIMJ-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001698919619 1175984484 /nfs/dbraw/zinc/98/44/84/1175984484.db2.gz CSRYLXKHJPHMEW-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001699415836 1176379120 /nfs/dbraw/zinc/37/91/20/1176379120.db2.gz XYLCMBJOGRDOHN-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001699459434 1176424085 /nfs/dbraw/zinc/42/40/85/1176424085.db2.gz GFVTUCJLESKFPH-CQSZACIVSA-N 2 0 281.444 1.424 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001700273234 1176826036 /nfs/dbraw/zinc/82/60/36/1176826036.db2.gz GEFQJUGKZAMICD-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH+](C)[C@@H](C)CNC(=O)CC[N@@H+](C)CCC ZINC001700483856 1176972540 /nfs/dbraw/zinc/97/25/40/1176972540.db2.gz TXXKONVAIQVQIU-AWEZNQCLSA-N 2 0 267.417 1.178 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001700770641 1177125084 /nfs/dbraw/zinc/12/50/84/1177125084.db2.gz OZTPVDQEXZXSTO-CQSZACIVSA-N 2 0 281.444 1.424 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001700946793 1177203282 /nfs/dbraw/zinc/20/32/82/1177203282.db2.gz MIGDCUWUSBYYGC-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H]1CC ZINC001707201761 1177967372 /nfs/dbraw/zinc/96/73/72/1177967372.db2.gz SJBISDYOOMHTST-XHSDSOJGSA-N 2 0 293.455 1.709 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1CC ZINC001707202856 1177967791 /nfs/dbraw/zinc/96/77/91/1177967791.db2.gz GLMIYTQGRUXFEX-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[N@H+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001712954884 1178265441 /nfs/dbraw/zinc/26/54/41/1178265441.db2.gz UWAVYJTVJNXVGF-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001713117003 1178376506 /nfs/dbraw/zinc/37/65/06/1178376506.db2.gz NUPMWLJPLJRNHX-HZPDHXFCSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713165240 1178406621 /nfs/dbraw/zinc/40/66/21/1178406621.db2.gz CUSMFRURHONCHA-HDJSIYSDSA-N 2 0 277.412 1.121 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001713175323 1178413876 /nfs/dbraw/zinc/41/38/76/1178413876.db2.gz YQZDDHMDUJIZAO-IHRRRGAJSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[N@H+]1CCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001713253067 1178455896 /nfs/dbraw/zinc/45/58/96/1178455896.db2.gz MABZIVVBAYJWLF-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001713342496 1178511155 /nfs/dbraw/zinc/51/11/55/1178511155.db2.gz IJJOWDGQHQFQFF-KGLIPLIRSA-N 2 0 285.407 1.290 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001713360902 1178520470 /nfs/dbraw/zinc/52/04/70/1178520470.db2.gz QUCSGOILXCIHIH-CQSZACIVSA-N 2 0 277.412 1.096 10 30 CDEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713397093 1178535775 /nfs/dbraw/zinc/53/57/75/1178535775.db2.gz JSZPTIQCWFWMLG-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001713644524 1178693667 /nfs/dbraw/zinc/69/36/67/1178693667.db2.gz GRAZWISBWOGCPV-UHFFFAOYSA-N 2 0 287.407 1.433 10 30 CDEERP C=CCC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001713785764 1178752444 /nfs/dbraw/zinc/75/24/44/1178752444.db2.gz YGIYKEUXWOUJRZ-UHFFFAOYSA-N 2 0 281.444 1.826 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713932303 1178861790 /nfs/dbraw/zinc/86/17/90/1178861790.db2.gz KQZIUDOMGVDRDJ-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001714331159 1179087200 /nfs/dbraw/zinc/08/72/00/1179087200.db2.gz OOIKGWIQSBJMGJ-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714445477 1179143908 /nfs/dbraw/zinc/14/39/08/1179143908.db2.gz IXNZTTUSQDFCLT-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714469678 1179157224 /nfs/dbraw/zinc/15/72/24/1179157224.db2.gz QBWZUJWMYJFBAS-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001714732397 1179363990 /nfs/dbraw/zinc/36/39/90/1179363990.db2.gz XHUSPWBPIZEQEY-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001714828726 1179413614 /nfs/dbraw/zinc/41/36/14/1179413614.db2.gz GYNCDTRCRQUGAN-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001715365921 1179644896 /nfs/dbraw/zinc/64/48/96/1179644896.db2.gz FZDVELCCFXVZPL-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001715455698 1179671424 /nfs/dbraw/zinc/67/14/24/1179671424.db2.gz GACDAYYWKDBZQO-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001715576994 1179723200 /nfs/dbraw/zinc/72/32/00/1179723200.db2.gz NOKCYNUKRNKUDS-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001716232481 1180113226 /nfs/dbraw/zinc/11/32/26/1180113226.db2.gz IIBPJGUVOUDUAT-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001716297126 1180147675 /nfs/dbraw/zinc/14/76/75/1180147675.db2.gz XCNWWQHBZCLHHC-MHKRFPNSSA-N 2 0 277.412 1.002 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001716302290 1180148606 /nfs/dbraw/zinc/14/86/06/1180148606.db2.gz CDERBUJZTUYCOC-AATRIKPKSA-N 2 0 279.428 1.699 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001716398492 1180186514 /nfs/dbraw/zinc/18/65/14/1180186514.db2.gz XIIFFTANLZNVCS-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001716690974 1180372780 /nfs/dbraw/zinc/37/27/80/1180372780.db2.gz VFFUJUKGKYZKSU-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001716701553 1180379246 /nfs/dbraw/zinc/37/92/46/1180379246.db2.gz SKIRBGLGXKYNAP-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCC[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001717207445 1180576292 /nfs/dbraw/zinc/57/62/92/1180576292.db2.gz CJOMYZBWCRUPJL-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717479921 1180697440 /nfs/dbraw/zinc/69/74/40/1180697440.db2.gz VEIBCVNWVIRMPZ-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001717748569 1180826813 /nfs/dbraw/zinc/82/68/13/1180826813.db2.gz LJIKTNDESUASMR-AWEZNQCLSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001717749629 1180827685 /nfs/dbraw/zinc/82/76/85/1180827685.db2.gz HANWAOWSXNIJIY-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001717798656 1180861133 /nfs/dbraw/zinc/86/11/33/1180861133.db2.gz RUPFDVKVSBPMJI-KGLIPLIRSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001717859894 1180897860 /nfs/dbraw/zinc/89/78/60/1180897860.db2.gz GIWFPPAACPRMLN-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)C[NH+](C)C(C)C)C(C)C ZINC001717952804 1180943243 /nfs/dbraw/zinc/94/32/43/1180943243.db2.gz OSHXEVVOKGLCFR-UHFFFAOYSA-N 2 0 267.417 1.129 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC001717973661 1180954856 /nfs/dbraw/zinc/95/48/56/1180954856.db2.gz ITSNRWUGQSTSRT-CQSZACIVSA-N 2 0 281.444 1.470 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001723303034 1181535168 /nfs/dbraw/zinc/53/51/68/1181535168.db2.gz WKMRYQHETANJEX-HOTGVXAUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001724849030 1181774212 /nfs/dbraw/zinc/77/42/12/1181774212.db2.gz XZDHAQRTQIDTOQ-OAHLLOKOSA-N 2 0 297.443 1.064 10 30 CDEERP C=CCCC[N@@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001724858320 1181777641 /nfs/dbraw/zinc/77/76/41/1181777641.db2.gz SGKSLWZGTMCFGW-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725449848 1182004164 /nfs/dbraw/zinc/00/41/64/1182004164.db2.gz DLCLEDFXZADTBL-HZPDHXFCSA-N 2 0 291.439 1.341 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001725451171 1182005712 /nfs/dbraw/zinc/00/57/12/1182005712.db2.gz CWVCBHQETQIZDC-CVEARBPZSA-N 2 0 293.455 1.759 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001725520026 1182034628 /nfs/dbraw/zinc/03/46/28/1182034628.db2.gz NBBRJYXUNATVIO-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001731497006 1182421635 /nfs/dbraw/zinc/42/16/35/1182421635.db2.gz CEBXEWOFNCOAAE-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001731547612 1182444726 /nfs/dbraw/zinc/44/47/26/1182444726.db2.gz LZUVTHOTGOMCSN-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001731705213 1182523593 /nfs/dbraw/zinc/52/35/93/1182523593.db2.gz VGBYEYNGRNHENW-GJZGRUSLSA-N 2 0 277.412 1.123 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001731735979 1182541381 /nfs/dbraw/zinc/54/13/81/1182541381.db2.gz KVNZAIFCGFOAMH-CQSZACIVSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC001732024874 1182729174 /nfs/dbraw/zinc/72/91/74/1182729174.db2.gz YGRBNGCATDYIAR-MRXNPFEDSA-N 2 0 299.418 1.409 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001732318000 1182904523 /nfs/dbraw/zinc/90/45/23/1182904523.db2.gz GMMILBRZEKEGNP-UHFFFAOYSA-N 2 0 287.407 1.366 10 30 CDEERP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001732383105 1182939800 /nfs/dbraw/zinc/93/98/00/1182939800.db2.gz CJUPMUSCTKZIFC-HNNXBMFYSA-N 2 0 297.443 1.111 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CN(CC)CCO1 ZINC001732471168 1182981387 /nfs/dbraw/zinc/98/13/87/1182981387.db2.gz HMOKKGQOIGNRGJ-LSDHHAIUSA-N 2 0 297.443 1.014 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001732524932 1182996352 /nfs/dbraw/zinc/99/63/52/1182996352.db2.gz OSMNGPJOPZNLJL-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001732708238 1183094821 /nfs/dbraw/zinc/09/48/21/1183094821.db2.gz ZUUSJAUDAMEMIQ-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001732783837 1183124355 /nfs/dbraw/zinc/12/43/55/1183124355.db2.gz PCVFXBIDVVCXQB-UHFFFAOYSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001732940721 1183191330 /nfs/dbraw/zinc/19/13/30/1183191330.db2.gz SCFNTXYITSGEKV-UUSXEQNQSA-N 2 0 299.846 1.874 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001733960535 1183586216 /nfs/dbraw/zinc/58/62/16/1183586216.db2.gz VGYMTIFBEWAVBK-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001734098545 1183657152 /nfs/dbraw/zinc/65/71/52/1183657152.db2.gz YIMXXGIBIRVUSW-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001734451090 1183781812 /nfs/dbraw/zinc/78/18/12/1183781812.db2.gz VGPOPWOZTIMWNP-BZUAXINKSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCOc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000863544903 705900022 /nfs/dbraw/zinc/90/00/22/705900022.db2.gz FHIOONUNFPXSEN-AWEZNQCLSA-N 2 0 276.380 1.715 10 30 CDEERP CC[C@](C)(C#N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017794 706053256 /nfs/dbraw/zinc/05/32/56/706053256.db2.gz HGIYQCXONQUXPO-IIAWOOMASA-N 2 0 294.443 1.124 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC)CC1 ZINC001037120391 709859835 /nfs/dbraw/zinc/85/98/35/709859835.db2.gz ILXSBXAKOSOOBU-HOTGVXAUSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000877145321 709894568 /nfs/dbraw/zinc/89/45/68/709894568.db2.gz FIUUPQIMJMKMKL-RYUDHWBXSA-N 2 0 271.792 1.009 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000876935910 711560272 /nfs/dbraw/zinc/56/02/72/711560272.db2.gz SQLNDFYKRIBSCO-GHMZBOCLSA-N 2 0 271.792 1.247 10 30 CDEERP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)CC(C)C ZINC000066243269 711668098 /nfs/dbraw/zinc/66/80/98/711668098.db2.gz NNLUNJQBBVAJRV-HUUCEWRRSA-N 2 0 298.475 1.826 10 30 CDEERP C=CC[C@H](C(=O)OC)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000878549010 711679680 /nfs/dbraw/zinc/67/96/80/711679680.db2.gz BHVLLUNZTABDFF-CQSZACIVSA-N 2 0 280.412 1.912 10 30 CDEERP C[NH+]=C(NCC[N@H+](C)C1CCCCC1)NC1CC1 ZINC000303386550 711720267 /nfs/dbraw/zinc/72/02/67/711720267.db2.gz AMVXKVXVUVXLFQ-UHFFFAOYSA-N 2 0 252.406 1.578 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000876523000 711834230 /nfs/dbraw/zinc/83/42/30/711834230.db2.gz HYZRQJQRKZDWLL-ONGXEEELSA-N 2 0 259.781 1.042 10 30 CDEERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC001626999530 1165971810 /nfs/dbraw/zinc/97/18/10/1165971810.db2.gz BNXMXEPQPPNOFQ-KGLIPLIRSA-N 2 0 292.427 1.211 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001567307889 1168669894 /nfs/dbraw/zinc/66/98/94/1168669894.db2.gz MGLCJRXMBKSZDT-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001272566619 913454502 /nfs/dbraw/zinc/45/45/02/913454502.db2.gz ZZJOICJFLXIUFS-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001567433142 1168758702 /nfs/dbraw/zinc/75/87/02/1168758702.db2.gz UKHSQLFNCKQKFY-GASCZTMLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266701096 895860706 /nfs/dbraw/zinc/86/07/06/895860706.db2.gz GADUPECECRCLOF-GASCZTMLSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001267141874 896907018 /nfs/dbraw/zinc/90/70/18/896907018.db2.gz LFRRSPJIXHIIKX-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001480923157 897080594 /nfs/dbraw/zinc/08/05/94/897080594.db2.gz MVMXLDJFPKLODW-ZIAGYGMSSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)C[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001480927460 897305681 /nfs/dbraw/zinc/30/56/81/897305681.db2.gz FYTUVKWUAJJYFF-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267255965 897352814 /nfs/dbraw/zinc/35/28/14/897352814.db2.gz UYHWMPOSHQWPSI-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001272624185 914204513 /nfs/dbraw/zinc/20/45/13/914204513.db2.gz IISLJPGVXZKBOY-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267568295 898392656 /nfs/dbraw/zinc/39/26/56/898392656.db2.gz IJCOOBCAOILQRI-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267594246 898637852 /nfs/dbraw/zinc/63/78/52/898637852.db2.gz BSAYPXGPGRNGRS-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001481041596 898661544 /nfs/dbraw/zinc/66/15/44/898661544.db2.gz IJYDJCVANPEWFF-GJZGRUSLSA-N 2 0 299.434 1.823 10 30 CDEERP C=CC[NH+](C)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001267602543 898721337 /nfs/dbraw/zinc/72/13/37/898721337.db2.gz CUFQUZDGZAWVNL-OAHLLOKOSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267687261 899279262 /nfs/dbraw/zinc/27/92/62/899279262.db2.gz ZLWPOKPEOGBCKK-HNNXBMFYSA-N 2 0 281.444 1.587 10 30 CDEERP C=CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001267777917 899701810 /nfs/dbraw/zinc/70/18/10/899701810.db2.gz VIVIFFZSMAYZDM-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001267810927 899788382 /nfs/dbraw/zinc/78/83/82/899788382.db2.gz NWMNNPLWAKBCQW-ZDUSSCGKSA-N 2 0 265.401 1.285 10 30 CDEERP C=CCC[NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001267865844 899904207 /nfs/dbraw/zinc/90/42/07/899904207.db2.gz ZTEQALLOWBIAJP-INIZCTEOSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267948367 900025398 /nfs/dbraw/zinc/02/53/98/900025398.db2.gz BDRRXFDABGIXLA-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001481314533 900358201 /nfs/dbraw/zinc/35/82/01/900358201.db2.gz HLOITTLLTMYYAH-UHFFFAOYSA-N 2 0 253.390 1.096 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C(C)C ZINC001481350338 900475792 /nfs/dbraw/zinc/47/57/92/900475792.db2.gz LCHYHZXUDBDDDJ-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc3nccn32)C1 ZINC001481490918 900911493 /nfs/dbraw/zinc/91/14/93/900911493.db2.gz LIXHYJIMFRCRTP-AWEZNQCLSA-N 2 0 298.390 1.914 10 30 CDEERP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001481530724 901083182 /nfs/dbraw/zinc/08/31/82/901083182.db2.gz RIAJQFSJBVRLTC-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001481530399 901085330 /nfs/dbraw/zinc/08/53/30/901085330.db2.gz RLCIPRRFKNEYFO-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001567741996 1168944477 /nfs/dbraw/zinc/94/44/77/1168944477.db2.gz KAMNPCHDJSRMKW-INIZCTEOSA-N 2 0 293.455 1.522 10 30 CDEERP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001567744233 1168945717 /nfs/dbraw/zinc/94/57/17/1168945717.db2.gz FMNBMPKNMFWRSY-HNNXBMFYSA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001567742834 1168947095 /nfs/dbraw/zinc/94/70/95/1168947095.db2.gz VIYBOQJUCXGNOE-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001268247454 901659177 /nfs/dbraw/zinc/65/91/77/901659177.db2.gz LXMLVOQRIRYVQI-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001481677530 901776516 /nfs/dbraw/zinc/77/65/16/901776516.db2.gz HEBYVUAPBNAXFY-HRCADAONSA-N 2 0 293.455 1.968 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001269275588 903640448 /nfs/dbraw/zinc/64/04/48/903640448.db2.gz TWUIRIRMURKKNV-CQSZACIVSA-N 2 0 281.444 1.683 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001269332013 903703457 /nfs/dbraw/zinc/70/34/57/903703457.db2.gz MNOBWDDGBCDFQN-CABCVRRESA-N 2 0 291.439 1.627 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482282559 904562425 /nfs/dbraw/zinc/56/24/25/904562425.db2.gz AHJVIDWHATZAIN-RBSFLKMASA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001482696952 908293043 /nfs/dbraw/zinc/29/30/43/908293043.db2.gz YMBQAEUOWWIMLZ-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[C@H](C)[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482891175 908470952 /nfs/dbraw/zinc/47/09/52/908470952.db2.gz LGUZJIFXHCDUPP-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001409265412 908969856 /nfs/dbraw/zinc/96/98/56/908969856.db2.gz HATKNAGFKSVJQQ-UHFFFAOYSA-N 2 0 287.835 1.565 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001568059758 1169129510 /nfs/dbraw/zinc/12/95/10/1169129510.db2.gz ADEJURZZVOKLHM-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484161692 915484480 /nfs/dbraw/zinc/48/44/80/915484480.db2.gz YHKIUMQHBVNPLL-QGZVFWFLSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CCC[C@](C)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001484175684 915489639 /nfs/dbraw/zinc/48/96/39/915489639.db2.gz SUMOHZHSMCAVKY-OAHLLOKOSA-N 2 0 276.384 1.357 10 30 CDEERP CCO[C@H](CNCc1cccc(C#N)c1)C[NH+](C)C ZINC000922756604 921793117 /nfs/dbraw/zinc/79/31/17/921793117.db2.gz MJIQMUOPHGADCX-OAHLLOKOSA-N 2 0 261.369 1.615 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001484513771 915837983 /nfs/dbraw/zinc/83/79/83/915837983.db2.gz UHIPJRDIXYAYTQ-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001568178657 1169163409 /nfs/dbraw/zinc/16/34/09/1169163409.db2.gz FRQYCSLMENWJFK-AWEZNQCLSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001484617728 915955163 /nfs/dbraw/zinc/95/51/63/915955163.db2.gz LTHPMTQTAOVURW-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001484652406 915996533 /nfs/dbraw/zinc/99/65/33/915996533.db2.gz BOVVMJJUJZWGPA-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001484747257 916133383 /nfs/dbraw/zinc/13/33/83/916133383.db2.gz OFOMVWKXUTVMSG-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001485157394 916611574 /nfs/dbraw/zinc/61/15/74/916611574.db2.gz KZKIWJHZTCPDKZ-NEPJUHHUSA-N 2 0 287.835 1.706 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001485745263 917253593 /nfs/dbraw/zinc/25/35/93/917253593.db2.gz PLLMFSKNJSPLGK-HNNXBMFYSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001325405385 919497412 /nfs/dbraw/zinc/49/74/12/919497412.db2.gz FZFQFKDEMSSZDG-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001568277687 1169219163 /nfs/dbraw/zinc/21/91/63/1169219163.db2.gz CVXXOEXGXFZHCE-LBPRGKRZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001272888592 919966848 /nfs/dbraw/zinc/96/68/48/919966848.db2.gz DANOKKUZMIYPNU-ZDUSSCGKSA-N 2 0 265.401 1.285 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001485960703 920629600 /nfs/dbraw/zinc/62/96/00/920629600.db2.gz KNLKFGSROQSQPQ-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568311984 1169239902 /nfs/dbraw/zinc/23/99/02/1169239902.db2.gz FOAGUIGCIUFCCV-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001568330818 1169250302 /nfs/dbraw/zinc/25/03/02/1169250302.db2.gz FTUPEQYDRUVKQY-AWEZNQCLSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001491069241 936850530 /nfs/dbraw/zinc/85/05/30/936850530.db2.gz GGGLWUMRZZNXDO-QXSJWSMHSA-N 2 0 293.455 1.920 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001488802918 926696752 /nfs/dbraw/zinc/69/67/52/926696752.db2.gz AQYLJTSDEYYXOF-IYBDPMFKSA-N 2 0 291.439 1.370 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001488918920 926753479 /nfs/dbraw/zinc/75/34/79/926753479.db2.gz ZDCHGPHFDQDTAM-XHSDSOJGSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001568450942 1169294012 /nfs/dbraw/zinc/29/40/12/1169294012.db2.gz FTIOPVAJRGVMED-HOTGVXAUSA-N 2 0 291.439 1.082 10 30 CDEERP C=C(C)CC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001568467719 1169302486 /nfs/dbraw/zinc/30/24/86/1169302486.db2.gz ZULVXDMLXAOVSA-OAHLLOKOSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCO[C@@H]1CC[NH+](CCC[N@H+]2CC[C@H](OCC=C)C2)C1 ZINC001320038359 931495770 /nfs/dbraw/zinc/49/57/70/931495770.db2.gz QSXFGUDIHMKCFH-CALCHBBNSA-N 2 0 294.439 1.930 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001274798869 931579186 /nfs/dbraw/zinc/57/91/86/931579186.db2.gz XUHHKNCVONGSKU-HOTGVXAUSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]C(C)C)CC1 ZINC001274841514 931589415 /nfs/dbraw/zinc/58/94/15/931589415.db2.gz TZBRTAKTGWQAMP-AWEZNQCLSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001275233082 931707915 /nfs/dbraw/zinc/70/79/15/931707915.db2.gz NOCNSSJDLPTFFM-XSCHDIRWSA-N 2 0 279.428 1.387 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001275310047 931731311 /nfs/dbraw/zinc/73/13/11/931731311.db2.gz XSRKHKVGTCWXKZ-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001275334989 931737148 /nfs/dbraw/zinc/73/71/48/931737148.db2.gz WCZCOTFUHNRUFM-UONOGXRCSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)COC1CC[NH+](C)CC1 ZINC001568554233 1169365866 /nfs/dbraw/zinc/36/58/66/1169365866.db2.gz KZBLMCGJZYFMRB-UHFFFAOYSA-N 2 0 297.443 1.064 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)CCC[NH2+]1 ZINC001119362757 937713097 /nfs/dbraw/zinc/71/30/97/937713097.db2.gz IOADIVSNXXSJHN-SZOQZIPDSA-N 2 0 291.439 1.578 10 30 CDEERP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001276327242 935012495 /nfs/dbraw/zinc/01/24/95/935012495.db2.gz SMODKZRQQVRUGE-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001568633079 1169409224 /nfs/dbraw/zinc/40/92/24/1169409224.db2.gz XCKCKQFCRWOQHE-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC001568640831 1169410742 /nfs/dbraw/zinc/41/07/42/1169410742.db2.gz KBBYISUGDLMWJE-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001277193463 942157521 /nfs/dbraw/zinc/15/75/21/942157521.db2.gz HDQASBSIHISISC-OWCLPIDISA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH+](C)CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001280884270 942502565 /nfs/dbraw/zinc/50/25/65/942502565.db2.gz XXLSAETUADACHF-GASCZTMLSA-N 2 0 279.428 1.273 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001282243179 942683425 /nfs/dbraw/zinc/68/34/25/942683425.db2.gz VALWTKRZZZRHPK-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001282274009 942685746 /nfs/dbraw/zinc/68/57/46/942685746.db2.gz BUFHCWWDWWKEOJ-YMAMQOFZSA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001282455999 942717462 /nfs/dbraw/zinc/71/74/62/942717462.db2.gz VMBYQYYQKGSLEH-UONOGXRCSA-N 2 0 269.433 1.585 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001283701991 942972836 /nfs/dbraw/zinc/97/28/36/942972836.db2.gz HKHRZDSQLSMIGU-KBPBESRZSA-N 2 0 269.433 1.729 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001284244975 943129316 /nfs/dbraw/zinc/12/93/16/943129316.db2.gz RXCGCMAQYNUVBG-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC001263112443 943752540 /nfs/dbraw/zinc/75/25/40/943752540.db2.gz HUBHBCVVQUNONV-STQMWFEESA-N 2 0 253.390 1.223 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001263999423 944060140 /nfs/dbraw/zinc/06/01/40/944060140.db2.gz GGFKRWITZYUXMM-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001264429840 944134294 /nfs/dbraw/zinc/13/42/94/944134294.db2.gz WLXCRDZPJCQJKY-VGWMRTNUSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1CC ZINC001264623552 944153547 /nfs/dbraw/zinc/15/35/47/944153547.db2.gz FUHVPDSZMQFFLU-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001265743090 944486380 /nfs/dbraw/zinc/48/63/80/944486380.db2.gz BGWDCYWDEFGUOR-NRXISQOPSA-N 2 0 281.444 1.920 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266050664 944654264 /nfs/dbraw/zinc/65/42/64/944654264.db2.gz CUFKBFDQPYXEIX-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001266145213 944712933 /nfs/dbraw/zinc/71/29/33/944712933.db2.gz NFWWDLHMWUHLGK-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001479252393 971274629 /nfs/dbraw/zinc/27/46/29/971274629.db2.gz LXHFXLFATVFVLH-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001479696035 971370033 /nfs/dbraw/zinc/37/00/33/971370033.db2.gz SDXCVASBLYBPDE-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)C(C)C ZINC001278918777 948227879 /nfs/dbraw/zinc/22/78/79/948227879.db2.gz VZPAPZZKHTZJEW-MRXNPFEDSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001279026901 948615318 /nfs/dbraw/zinc/61/53/18/948615318.db2.gz YLWRDVJALQLJSI-DZGCQCFKSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001279044006 948637231 /nfs/dbraw/zinc/63/72/31/948637231.db2.gz FEOIACMCTJDPKR-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001480254593 971650029 /nfs/dbraw/zinc/65/00/29/971650029.db2.gz FTUWDQQVLLGUBQ-GJZGRUSLSA-N 2 0 299.434 1.681 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001480791281 971881003 /nfs/dbraw/zinc/88/10/03/971881003.db2.gz VNMGWXUGPVLSMV-UONOGXRCSA-N 2 0 267.417 1.080 10 30 CDEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)CC[NH+](C)C ZINC001326458498 954390817 /nfs/dbraw/zinc/39/08/17/954390817.db2.gz OAHGXSNDHRUKSQ-UHFFFAOYSA-N 2 0 287.407 1.320 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1 ZINC001327035907 954669448 /nfs/dbraw/zinc/66/94/48/954669448.db2.gz PVSFOPDEYSAUEB-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001328016690 955160586 /nfs/dbraw/zinc/16/05/86/955160586.db2.gz CIKNXTHAGCVWHR-AWEZNQCLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001491622886 955321593 /nfs/dbraw/zinc/32/15/93/955321593.db2.gz IYJZYKIPZKJGDT-CQSZACIVSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001491849842 955467045 /nfs/dbraw/zinc/46/70/45/955467045.db2.gz NIZFNEKZGXFMDC-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001421947644 955668222 /nfs/dbraw/zinc/66/82/22/955668222.db2.gz VKDBCNGUGHOXCV-AAEUAGOBSA-N 2 0 287.835 1.517 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001316904888 956881636 /nfs/dbraw/zinc/88/16/36/956881636.db2.gz NRSIDUIWBLPJIK-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001316787572 957018507 /nfs/dbraw/zinc/01/85/07/957018507.db2.gz SKBKVQQYJGWEMN-KGLIPLIRSA-N 2 0 279.428 1.626 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001317276387 957398840 /nfs/dbraw/zinc/39/88/40/957398840.db2.gz PNHPVODVEQRIHO-AWEZNQCLSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001317863125 957699828 /nfs/dbraw/zinc/69/98/28/957699828.db2.gz KUYYYQGFTNSIEA-MRXNPFEDSA-N 2 0 291.439 1.276 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001318169727 957952942 /nfs/dbraw/zinc/95/29/42/957952942.db2.gz SLQVCUBUFGANIK-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001318277202 958011429 /nfs/dbraw/zinc/01/14/29/958011429.db2.gz YJTQONBSQVOFEX-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C#CCC[NH2+]CCC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001318928232 958308078 /nfs/dbraw/zinc/30/80/78/958308078.db2.gz FQFZSWOSDFWPIJ-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001319231717 958446598 /nfs/dbraw/zinc/44/65/98/958446598.db2.gz WZSCZAUITWSZTR-GJZGRUSLSA-N 2 0 281.444 1.636 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC001333771673 958584618 /nfs/dbraw/zinc/58/46/18/958584618.db2.gz OLOXKHWRUFNDNJ-SJORKVTESA-N 2 0 291.439 1.677 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001319512978 958602309 /nfs/dbraw/zinc/60/23/09/958602309.db2.gz XZEJNLMWWHVYTR-AWEZNQCLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001320564901 959243890 /nfs/dbraw/zinc/24/38/90/959243890.db2.gz UMUVDTMQOWDBBA-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC(=C)C)CC1 ZINC001321416560 959774928 /nfs/dbraw/zinc/77/49/28/959774928.db2.gz IWCMJCUDPQUXBT-AATRIKPKSA-N 2 0 289.423 1.170 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC ZINC001569341280 1169772458 /nfs/dbraw/zinc/77/24/58/1169772458.db2.gz WZVJCTJZTLCDBC-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001495280789 972463243 /nfs/dbraw/zinc/46/32/43/972463243.db2.gz JNNGHHXUEDACJM-KRWDZBQOSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001322042521 960066215 /nfs/dbraw/zinc/06/62/15/960066215.db2.gz UHIHURJZKHKDGY-STQMWFEESA-N 2 0 255.406 1.387 10 30 CDEERP C=C(C)CC[NH+]1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001323979901 961085522 /nfs/dbraw/zinc/08/55/22/961085522.db2.gz SBQIPQXWYZYVAD-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001420079314 962454379 /nfs/dbraw/zinc/45/43/79/962454379.db2.gz KQSBYSSQIKKYCU-TZMCWYRMSA-N 2 0 299.846 1.565 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001341633965 963490863 /nfs/dbraw/zinc/49/08/63/963490863.db2.gz LLHPNUGXQVGCJU-PIGZVRMJSA-N 2 0 265.401 1.411 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC001466679811 969986389 /nfs/dbraw/zinc/98/63/89/969986389.db2.gz SBFSTYUVLSOKDQ-KGLIPLIRSA-N 2 0 297.468 1.142 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001495592456 972547737 /nfs/dbraw/zinc/54/77/37/972547737.db2.gz DMTYGCFRWILNBZ-HZPDHXFCSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001495662330 972584077 /nfs/dbraw/zinc/58/40/77/972584077.db2.gz QULSCSLUXHSGQH-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001495814960 972648090 /nfs/dbraw/zinc/64/80/90/972648090.db2.gz QCUZURZGRVVKOC-HOTGVXAUSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](CC)CC)CCCC1 ZINC001495943681 972712570 /nfs/dbraw/zinc/71/25/70/972712570.db2.gz JGYSKEAMENSHSL-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001497884749 973565871 /nfs/dbraw/zinc/56/58/71/973565871.db2.gz CZVORRTXPSGTHR-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001569709611 1169971350 /nfs/dbraw/zinc/97/13/50/1169971350.db2.gz XMIZDTPISAYEKF-UHFFFAOYSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001498901073 974100637 /nfs/dbraw/zinc/10/06/37/974100637.db2.gz CDEFXCIBBQSHFM-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001499012733 974160314 /nfs/dbraw/zinc/16/03/14/974160314.db2.gz LSQLBBJUAQPNLJ-OAHLLOKOSA-N 2 0 291.439 1.772 10 30 CDEERP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001376175172 974593400 /nfs/dbraw/zinc/59/34/00/974593400.db2.gz QDPCWXFPXREACE-ZDUSSCGKSA-N 2 0 299.846 1.661 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001503015771 974810387 /nfs/dbraw/zinc/81/03/87/974810387.db2.gz WQVJKYLCCYTMLV-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376964204 974830493 /nfs/dbraw/zinc/83/04/93/974830493.db2.gz DCPCUBXMXHQAGX-QWHCGFSZSA-N 2 0 287.835 1.708 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001505736394 974977294 /nfs/dbraw/zinc/97/72/94/974977294.db2.gz SNOVWWVALVBORE-NWDGAFQWSA-N 2 0 275.824 1.564 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001507326728 975417433 /nfs/dbraw/zinc/41/74/33/975417433.db2.gz WAFDTSOCWFEZCA-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001382054198 977143551 /nfs/dbraw/zinc/14/35/51/977143551.db2.gz ZUHKWEWXXPQDIM-NEPJUHHUSA-N 2 0 273.808 1.270 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001674938218 1174041150 /nfs/dbraw/zinc/04/11/50/1174041150.db2.gz KACCHJMJNQIVFC-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001569914640 1170037917 /nfs/dbraw/zinc/03/79/17/1170037917.db2.gz IERUXVKCECUSJK-GJZGRUSLSA-N 2 0 277.412 1.025 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001571632374 1170503402 /nfs/dbraw/zinc/50/34/02/1170503402.db2.gz SIFYLPRWEOPTBX-LBPRGKRZSA-N 2 0 255.406 1.245 10 30 CDEERP N#Cc1cnccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000592491858 342696341 /nfs/dbraw/zinc/69/63/41/342696341.db2.gz LJPQQUJHZARERG-BETUJISGSA-N 2 0 256.353 1.385 10 30 CDEERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594439245 342906479 /nfs/dbraw/zinc/90/64/79/342906479.db2.gz UMHGTAMISBUNAV-HZSPNIEDSA-N 2 0 278.400 1.093 10 30 CDEERP CC[NH+]1CCC(CNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594440639 342906892 /nfs/dbraw/zinc/90/68/92/342906892.db2.gz HGGBJRMMBZKVTA-CQSZACIVSA-N 2 0 280.416 1.246 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000594449023 342909325 /nfs/dbraw/zinc/90/93/25/342909325.db2.gz CBVOMYZWGYJCOJ-UONOGXRCSA-N 2 0 286.379 1.314 10 30 CDEERP N#CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000600738003 342246541 /nfs/dbraw/zinc/24/65/41/342246541.db2.gz GRQPEYKIPWYGMC-MELADBBJSA-N 2 0 251.374 1.115 10 30 CDEERP Cc1cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc(C#N)n1 ZINC000596362848 343311072 /nfs/dbraw/zinc/31/10/72/343311072.db2.gz OWJJXRXDXTULDD-AWEZNQCLSA-N 2 0 289.427 1.368 10 30 CDEERP CC(C)(C#N)c1ccc(C[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000599009904 343939537 /nfs/dbraw/zinc/93/95/37/343939537.db2.gz OMOUEPGUYGPLGG-MRXNPFEDSA-N 2 0 287.407 1.644 10 30 CDEERP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000601976116 344305174 /nfs/dbraw/zinc/30/51/74/344305174.db2.gz ROFUUCRHXMKXGQ-QWHCGFSZSA-N 2 0 280.416 1.292 10 30 CDEERP C=CCn1cc(C[NH2+]CC2CC[NH+](CC)CC2)nn1 ZINC001659492939 1172121217 /nfs/dbraw/zinc/12/12/17/1172121217.db2.gz ULTHKHJEOKZFAZ-UHFFFAOYSA-N 2 0 263.389 1.286 10 30 CDEERP C=CCC[C@H](O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000305067432 370839160 /nfs/dbraw/zinc/83/91/60/370839160.db2.gz IFYXMUMBLUOFFI-IRXDYDNUSA-N 2 0 295.471 1.415 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)CCC[NH+]1CCCCC1)C1CC1 ZINC001661192480 1172351354 /nfs/dbraw/zinc/35/13/54/1172351354.db2.gz CWBARQXMRLTLJJ-INIZCTEOSA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001661963807 1172471015 /nfs/dbraw/zinc/47/10/15/1172471015.db2.gz KMGTYJBCFHCPBO-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000417545928 377934300 /nfs/dbraw/zinc/93/43/00/377934300.db2.gz YQFFYXFWWIHHHH-NWDGAFQWSA-N 2 0 268.405 1.062 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H](C[NH3+])C2CCCCC2)CCC[NH2+]1 ZINC000662419010 412994255 /nfs/dbraw/zinc/99/42/55/412994255.db2.gz ZHAULOKTATUFDM-GDBMZVCRSA-N 2 0 279.428 1.709 10 30 CDEERP C#CC[N@@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001664893695 1172922982 /nfs/dbraw/zinc/92/29/82/1172922982.db2.gz FLJJKZWCFKWRMY-HNNXBMFYSA-N 2 0 279.428 1.130 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001665484177 1173004230 /nfs/dbraw/zinc/00/42/30/1173004230.db2.gz ADVLTUYXDAHFCU-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H](CC[NH+](C)C)OCC)CCC[NH2+]1 ZINC000662748607 424399944 /nfs/dbraw/zinc/39/99/44/424399944.db2.gz CGMVGTOPWMYAAH-ZBFHGGJFSA-N 2 0 297.443 1.158 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC=C)C(C)C ZINC001667470367 1173273100 /nfs/dbraw/zinc/27/31/00/1173273100.db2.gz ZWFZVTFNMJZGEV-HOTGVXAUSA-N 2 0 291.439 1.391 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001671804350 1173714327 /nfs/dbraw/zinc/71/43/27/1173714327.db2.gz AHQGUUPMVIJSID-DOTOQJQBSA-N 2 0 293.455 1.424 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001673151528 1173829914 /nfs/dbraw/zinc/82/99/14/1173829914.db2.gz BWFZYRLDVIZXEF-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267114474 1159127169 /nfs/dbraw/zinc/12/71/69/1159127169.db2.gz GJOSLJNWNQFNPS-INIZCTEOSA-N 2 0 291.439 1.418 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001750936628 1159202650 /nfs/dbraw/zinc/20/26/50/1159202650.db2.gz IOIOPVXBKUVHHA-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268364282 1159902895 /nfs/dbraw/zinc/90/28/95/1159902895.db2.gz BZBDLWKZGSKJMD-LSDHHAIUSA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001700882826 1177177563 /nfs/dbraw/zinc/17/75/63/1177177563.db2.gz PBEHDBLQZFYKBT-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C(C)(C)C ZINC001700989423 1177228158 /nfs/dbraw/zinc/22/81/58/1177228158.db2.gz YUAHHNZVIVHKHJ-CQSZACIVSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691623529 1160721142 /nfs/dbraw/zinc/72/11/42/1160721142.db2.gz ZSNJVSNDOXSCOQ-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP CCN[C@](C)(C#N)C[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068616254 520225591 /nfs/dbraw/zinc/22/55/91/520225591.db2.gz HWKAEDOMWUHVBC-ZBFHGGJFSA-N 2 0 280.460 1.930 10 30 CDEERP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484167692 1161256851 /nfs/dbraw/zinc/25/68/51/1161256851.db2.gz GOFJPMKZVGWINJ-WBVHZDCISA-N 2 0 293.455 1.424 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725148150 1181882673 /nfs/dbraw/zinc/88/26/73/1181882673.db2.gz PVNIAIASEUDGRG-CQSZACIVSA-N 2 0 279.428 1.036 10 30 CDEERP COC1CC[NH+](Cc2ccc(C#CC[NH3+])cc2F)CC1 ZINC000049609085 522704599 /nfs/dbraw/zinc/70/45/99/522704599.db2.gz AZSLHUYVTOCIEG-UHFFFAOYSA-N 2 0 276.355 1.747 10 30 CDEERP CC[C@H](C)[NH+]1CCN(Cc2sccc2C#CC[NH3+])CC1 ZINC000055069299 523956317 /nfs/dbraw/zinc/95/63/17/523956317.db2.gz HFVISBOJGYHWHR-AWEZNQCLSA-N 2 0 291.464 1.974 10 30 CDEERP CC[C@H](C)[NH+]1CCN(Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000055069293 523957087 /nfs/dbraw/zinc/95/70/87/523957087.db2.gz GLHNBVPTXFYACY-AWEZNQCLSA-N 2 0 291.464 1.974 10 30 CDEERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC#CC[NH+](C)C)C[C@@H]1C ZINC001684869866 1174663464 /nfs/dbraw/zinc/66/34/64/1174663464.db2.gz QNOVIXYAHRUVAF-GJZGRUSLSA-N 2 0 294.443 1.066 10 30 CDEERP C=CC[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000758002678 577066262 /nfs/dbraw/zinc/06/62/62/577066262.db2.gz GUOCJNIKMJYFDN-INIZCTEOSA-N 2 0 289.423 1.465 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001690278232 1175420975 /nfs/dbraw/zinc/42/09/75/1175420975.db2.gz BASAHRUIQCLXMV-RBSFLKMASA-N 2 0 277.412 1.121 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002243 613224979 /nfs/dbraw/zinc/22/49/79/613224979.db2.gz FHQYQAGYIIFFLC-OAHLLOKOSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941214910 613327703 /nfs/dbraw/zinc/32/77/03/613327703.db2.gz GLMMSPJVYVBTFF-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000901104594 623887142 /nfs/dbraw/zinc/88/71/42/623887142.db2.gz NCLBMEFKAWIARU-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000901273450 624060442 /nfs/dbraw/zinc/06/04/42/624060442.db2.gz WVORLCDRWYKGTK-ZIAGYGMSSA-N 2 0 267.417 1.435 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000901284301 624110367 /nfs/dbraw/zinc/11/03/67/624110367.db2.gz ADFIONKAXPAIHF-OLZOCXBDSA-N 2 0 253.390 1.045 10 30 CDEERP C=C[C@H]1CCCC[N@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903914765 626134263 /nfs/dbraw/zinc/13/42/63/626134263.db2.gz VWNYLXPDTUAXFD-HOCLYGCPSA-N 2 0 276.428 1.886 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000914411705 631412501 /nfs/dbraw/zinc/41/25/01/631412501.db2.gz MFQLRZNZUKUMQQ-AWEZNQCLSA-N 2 0 294.443 1.114 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000876510973 711733964 /nfs/dbraw/zinc/73/39/64/711733964.db2.gz ZGJDBCAKKAXGAV-VWYCJHECSA-N 2 0 259.781 1.185 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001670724873 1158727988 /nfs/dbraw/zinc/72/79/88/1158727988.db2.gz QUFUVFTVZAKYPU-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001670490338 1158619050 /nfs/dbraw/zinc/61/90/50/1158619050.db2.gz JNUZAUHELRHHQF-INIZCTEOSA-N 2 0 296.374 1.374 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001266559649 1158622673 /nfs/dbraw/zinc/62/26/73/1158622673.db2.gz HWGOXKIWMKNFFQ-IRXDYDNUSA-N 2 0 299.418 1.503 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001272033365 1160478980 /nfs/dbraw/zinc/47/89/80/1160478980.db2.gz INARYXUWPJRGQX-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC001631421617 1166276028 /nfs/dbraw/zinc/27/60/28/1166276028.db2.gz ZPVIPHCNCQUZBG-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)CCc1c[nH]cn1)C1CC1 ZINC001566588157 1168347521 /nfs/dbraw/zinc/34/75/21/1168347521.db2.gz FXKYMHKAQBOUOP-UHFFFAOYSA-N 2 0 288.395 1.336 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567054332 1168537291 /nfs/dbraw/zinc/53/72/91/1168537291.db2.gz PSQVLJJGCPWOIP-CZUORRHYSA-N 2 0 299.434 1.869 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001567151315 1168598303 /nfs/dbraw/zinc/59/83/03/1168598303.db2.gz OQISWPNSYWWADJ-LSDHHAIUSA-N 2 0 281.444 1.587 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001649445259 1169257630 /nfs/dbraw/zinc/25/76/30/1169257630.db2.gz JPHMCEAJHWNWIJ-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001568467718 1169302041 /nfs/dbraw/zinc/30/20/41/1169302041.db2.gz ZULVXDMLXAOVSA-HNNXBMFYSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001569823617 1170006800 /nfs/dbraw/zinc/00/68/00/1170006800.db2.gz HNAUAXIEUFKUJQ-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001570018633 1170059667 /nfs/dbraw/zinc/05/96/67/1170059667.db2.gz HCQHTWBWXRYVGB-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001570719702 1170253625 /nfs/dbraw/zinc/25/36/25/1170253625.db2.gz CTQXJTJJYOMCIF-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001653609298 1171552951 /nfs/dbraw/zinc/55/29/51/1171552951.db2.gz ONQQARIPZDXIMC-CVEARBPZSA-N 2 0 293.455 1.826 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001662542001 1172559185 /nfs/dbraw/zinc/55/91/85/1172559185.db2.gz YPBBFLTYNOPKGD-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001662729225 1172586637 /nfs/dbraw/zinc/58/66/37/1172586637.db2.gz YYNJNRQIXSGBMO-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001667203898 1173245007 /nfs/dbraw/zinc/24/50/07/1173245007.db2.gz MQPQIMPCAABEHO-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001668062062 1173365033 /nfs/dbraw/zinc/36/50/33/1173365033.db2.gz ZBLRLXCDJNUCRN-KBPBESRZSA-N 2 0 267.417 1.530 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](CC)CC)CCC1 ZINC001673210123 1173835634 /nfs/dbraw/zinc/83/56/34/1173835634.db2.gz MFQBKIJMRLCIGY-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001673390920 1173852837 /nfs/dbraw/zinc/85/28/37/1173852837.db2.gz IRRBLMWXWSOYRM-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001674157022 1173920559 /nfs/dbraw/zinc/92/05/59/1173920559.db2.gz YRIFCVOCMFWSAN-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001690501093 1175482676 /nfs/dbraw/zinc/48/26/76/1175482676.db2.gz GVLQEMBQHMDVLX-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@@H+](C)CCNC(=O)c1sccc1C[NH+](C)C ZINC001690946614 1175624693 /nfs/dbraw/zinc/62/46/93/1175624693.db2.gz HJHKYPJVEUIEKA-UHFFFAOYSA-N 2 0 293.436 1.495 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001691951667 1175655349 /nfs/dbraw/zinc/65/53/49/1175655349.db2.gz SFEBOAQVKUCESI-UONOGXRCSA-N 2 0 265.401 1.143 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001698778152 1175928664 /nfs/dbraw/zinc/92/86/64/1175928664.db2.gz PAJGPLSKBCZRGG-OAHLLOKOSA-N 2 0 279.428 1.228 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001699024065 1176047037 /nfs/dbraw/zinc/04/70/37/1176047037.db2.gz QERBMUQSMDGMDT-GDBMZVCRSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001699211696 1176142025 /nfs/dbraw/zinc/14/20/25/1176142025.db2.gz XAGFXDGVZYHKOF-UHFFFAOYSA-N 2 0 287.407 1.433 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699329363 1176240653 /nfs/dbraw/zinc/24/06/53/1176240653.db2.gz UGDUNRJZOIWUAZ-SREVYHEPSA-N 2 0 291.439 1.392 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699344199 1176275428 /nfs/dbraw/zinc/27/54/28/1176275428.db2.gz GZPZAUQRRRHTDW-FYCOFBDGSA-N 2 0 291.439 1.392 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001699508239 1176453891 /nfs/dbraw/zinc/45/38/91/1176453891.db2.gz ONVUHOBWIGWFTB-HOCLYGCPSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001699750653 1176606155 /nfs/dbraw/zinc/60/61/55/1176606155.db2.gz MZAUMGMZPWGSIG-CABCVRRESA-N 2 0 279.428 1.626 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001700851194 1177165052 /nfs/dbraw/zinc/16/50/52/1177165052.db2.gz WLLOQECBDFDEKL-KGLIPLIRSA-N 2 0 277.412 1.237 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713247325 1178451217 /nfs/dbraw/zinc/45/12/17/1178451217.db2.gz XOMZXGOLDZGTKK-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001713330873 1178500400 /nfs/dbraw/zinc/50/04/00/1178500400.db2.gz FOKHSHPRWBZEMZ-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001713330877 1178501149 /nfs/dbraw/zinc/50/11/49/1178501149.db2.gz FOKHSHPRWBZEMZ-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713381519 1178529502 /nfs/dbraw/zinc/52/95/02/1178529502.db2.gz JLGHCUUZDBQQKY-HZPDHXFCSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001713488120 1178602550 /nfs/dbraw/zinc/60/25/50/1178602550.db2.gz PDCHIXMJYILBBO-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001713517857 1178620429 /nfs/dbraw/zinc/62/04/29/1178620429.db2.gz SADOXJCQCDFZAB-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001713540168 1178633169 /nfs/dbraw/zinc/63/31/69/1178633169.db2.gz UNIYUJCXYIWZOY-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001714049578 1178946402 /nfs/dbraw/zinc/94/64/02/1178946402.db2.gz KMLLKEWAVUUFIN-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001714249404 1179045788 /nfs/dbraw/zinc/04/57/88/1179045788.db2.gz TUVCIDWKCLXBOD-GFCCVEGCSA-N 2 0 284.363 1.374 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001714373882 1179110772 /nfs/dbraw/zinc/11/07/72/1179110772.db2.gz CTOLKQXWXKVSSM-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001714977012 1179486940 /nfs/dbraw/zinc/48/69/40/1179486940.db2.gz GBZOJNHRLIRWEP-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715026600 1179515517 /nfs/dbraw/zinc/51/55/17/1179515517.db2.gz VLVACUWGFJNVCC-OAHLLOKOSA-N 2 0 277.412 1.027 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001715043734 1179525309 /nfs/dbraw/zinc/52/53/09/1179525309.db2.gz JYGBESQVXKLBND-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001715141187 1179563097 /nfs/dbraw/zinc/56/30/97/1179563097.db2.gz FOFBIIOZVZRYHQ-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001715314161 1179619692 /nfs/dbraw/zinc/61/96/92/1179619692.db2.gz KQYSEFLBFMHIBX-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)CCC ZINC001715372245 1179647361 /nfs/dbraw/zinc/64/73/61/1179647361.db2.gz NVLUKTFUGMWDFP-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001715467055 1179674582 /nfs/dbraw/zinc/67/45/82/1179674582.db2.gz PEJGZVPEVFSSBX-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001715665344 1179756495 /nfs/dbraw/zinc/75/64/95/1179756495.db2.gz YHBSWMHAMHECEV-HNNXBMFYSA-N 2 0 281.444 1.635 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CCC)CC1 ZINC001715710168 1179771469 /nfs/dbraw/zinc/77/14/69/1179771469.db2.gz WEULLCAIZRFYCZ-CQSZACIVSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716216461 1180106457 /nfs/dbraw/zinc/10/64/57/1180106457.db2.gz CSWHPBJHNAHKOP-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001716227414 1180110517 /nfs/dbraw/zinc/11/05/17/1180110517.db2.gz RMIKAIMKQANTDY-UHFFFAOYSA-N 2 0 299.846 1.805 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]CCC)CC1 ZINC001716585636 1180294971 /nfs/dbraw/zinc/29/49/71/1180294971.db2.gz DTVQDVGDINOJSM-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001716765624 1180406000 /nfs/dbraw/zinc/40/60/00/1180406000.db2.gz XUEKYJIRUCBUHE-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001716783578 1180413417 /nfs/dbraw/zinc/41/34/17/1180413417.db2.gz QQYIINTYYHVGGU-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001716975443 1180488307 /nfs/dbraw/zinc/48/83/07/1180488307.db2.gz NHIKSSPOAADQDC-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001717004594 1180498097 /nfs/dbraw/zinc/49/80/97/1180498097.db2.gz RLZYJNQOGQYBPZ-WKILWMFISA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001717443127 1180675142 /nfs/dbraw/zinc/67/51/42/1180675142.db2.gz TXKGKIDHDWHCER-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001717485703 1180701490 /nfs/dbraw/zinc/70/14/90/1180701490.db2.gz QWQCWSPUJAIKTQ-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001717529278 1180723362 /nfs/dbraw/zinc/72/33/62/1180723362.db2.gz RADHVOVAULHNID-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717822117 1180879947 /nfs/dbraw/zinc/87/99/47/1180879947.db2.gz NRWDHXZKIPJQPI-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001723203545 1181526252 /nfs/dbraw/zinc/52/62/52/1181526252.db2.gz MKHDXYYBSJDAGV-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001723302176 1181534914 /nfs/dbraw/zinc/53/49/14/1181534914.db2.gz RMUYUTWRMQIEKG-CABCVRRESA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCC)C2CC2)CC1 ZINC001723356823 1181543139 /nfs/dbraw/zinc/54/31/39/1181543139.db2.gz UFEWEHAAONHJQB-MRXNPFEDSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH+]1CCC(C)(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001724013885 1181629666 /nfs/dbraw/zinc/62/96/66/1181629666.db2.gz GNKNXKVIFDBFSF-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001724707507 1181730219 /nfs/dbraw/zinc/73/02/19/1181730219.db2.gz LDKFNFSQVOGWPT-HZPDHXFCSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001724710474 1181731173 /nfs/dbraw/zinc/73/11/73/1181731173.db2.gz AIABVYOMTGVDTK-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001724944981 1181802422 /nfs/dbraw/zinc/80/24/22/1181802422.db2.gz JREBHZNSSUTTHQ-CVEARBPZSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001725194465 1181917419 /nfs/dbraw/zinc/91/74/19/1181917419.db2.gz JUKJSPMWFDZKFA-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001725251791 1181939056 /nfs/dbraw/zinc/93/90/56/1181939056.db2.gz CZGPEKBCBOKTEG-DZGCQCFKSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725406965 1181991684 /nfs/dbraw/zinc/99/16/84/1181991684.db2.gz FRBBWTHBZFMAGI-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001725474878 1182014173 /nfs/dbraw/zinc/01/41/73/1182014173.db2.gz CUVZGLIJVTWKLN-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001725597250 1182068443 /nfs/dbraw/zinc/06/84/43/1182068443.db2.gz RYDQYOYPKNAUPE-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001725618171 1182073576 /nfs/dbraw/zinc/07/35/76/1182073576.db2.gz IAIWSSVGEFESQX-BZUAXINKSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001725649389 1182086979 /nfs/dbraw/zinc/08/69/79/1182086979.db2.gz GYZBRGPRGXEEHP-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001731293645 1182299073 /nfs/dbraw/zinc/29/90/73/1182299073.db2.gz BWMRXWFMVDKDFP-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001731659785 1182507540 /nfs/dbraw/zinc/50/75/40/1182507540.db2.gz IKEZSWDCZDLBSI-LSDHHAIUSA-N 2 0 299.434 1.681 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001731694152 1182520891 /nfs/dbraw/zinc/52/08/91/1182520891.db2.gz IEOMXZKNNOGDST-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH+]1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CCC)C1 ZINC001732184685 1182838359 /nfs/dbraw/zinc/83/83/59/1182838359.db2.gz IMVDJIIFRMTDPZ-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001732489136 1182987308 /nfs/dbraw/zinc/98/73/08/1182987308.db2.gz SIIAOQOWUGYQQD-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001732547293 1183002495 /nfs/dbraw/zinc/00/24/95/1183002495.db2.gz MLRXPPLSPQCLRP-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001732570206 1183014450 /nfs/dbraw/zinc/01/44/50/1183014450.db2.gz JXSMLXUGOLFUPY-GJZGRUSLSA-N 2 0 281.444 1.635 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001733222331 1183349298 /nfs/dbraw/zinc/34/92/98/1183349298.db2.gz AGENVLXWVPWTQQ-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001733414255 1183425819 /nfs/dbraw/zinc/42/58/19/1183425819.db2.gz VWVRLLXGEAPNGL-NVXWUHKLSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001733716585 1183506309 /nfs/dbraw/zinc/50/63/09/1183506309.db2.gz XBVRBDDCABTYDC-UHFFFAOYSA-N 2 0 265.401 1.285 10 30 CDEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001733843260 1183547034 /nfs/dbraw/zinc/54/70/34/1183547034.db2.gz AFUCYVPZEYKJPG-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001733852832 1183550633 /nfs/dbraw/zinc/55/06/33/1183550633.db2.gz WGCLUDCJDAFUOV-LSDHHAIUSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001733931141 1183574303 /nfs/dbraw/zinc/57/43/03/1183574303.db2.gz WMKCVCVUUBKKQQ-CVEARBPZSA-N 2 0 291.439 1.437 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001733980518 1183599728 /nfs/dbraw/zinc/59/97/28/1183599728.db2.gz VXWDUIMDBOYIKS-VXGBXAGGSA-N 2 0 286.379 1.925 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000876748312 712133976 /nfs/dbraw/zinc/13/39/76/712133976.db2.gz BAQPQRDLEVWXAN-QWRGUYRKSA-N 2 0 259.781 1.009 10 30 CDEERP CC[NH+](CC)CCCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852858795 712227841 /nfs/dbraw/zinc/22/78/41/712227841.db2.gz HLFFIGOEMLTPPJ-UHFFFAOYSA-N 2 0 279.428 1.228 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000876729215 712377956 /nfs/dbraw/zinc/37/79/56/712377956.db2.gz HTNAXFXTPHUWHW-QJPTWQEYSA-N 2 0 271.792 1.199 10 30 CDEERP CC(C)NC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000304764556 712409297 /nfs/dbraw/zinc/40/92/97/712409297.db2.gz YDJKTZHXCPYGDE-UHFFFAOYSA-N 2 0 266.364 1.700 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000876742847 712457166 /nfs/dbraw/zinc/45/71/66/712457166.db2.gz XKZZHRAWEFWSJK-CHWSQXEVSA-N 2 0 285.819 1.543 10 30 CDEERP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@@H+]1CCCC[C@H]1C ZINC000261719881 712462317 /nfs/dbraw/zinc/46/23/17/712462317.db2.gz FQRLOVNUCNHXGT-RDBSUJKOSA-N 2 0 282.432 1.333 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000876869093 712740919 /nfs/dbraw/zinc/74/09/19/712740919.db2.gz PYMOTIJOOYYHID-AVGNSLFASA-N 2 0 285.819 1.304 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000876956908 712757050 /nfs/dbraw/zinc/75/70/50/712757050.db2.gz RJMZDXHJHRHHTP-XQQFMLRXSA-N 2 0 285.819 1.589 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001691748386 1167357572 /nfs/dbraw/zinc/35/75/72/1167357572.db2.gz NXSIKOCLEQHJTH-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001570985290 1167586924 /nfs/dbraw/zinc/58/69/24/1167586924.db2.gz ABVQCLGZXLGBCC-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[N@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001566555230 1168333995 /nfs/dbraw/zinc/33/39/95/1168333995.db2.gz SVELVWCRFJNCMN-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001566682546 1168387769 /nfs/dbraw/zinc/38/77/69/1168387769.db2.gz DEJNHSDOXCIUGJ-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001567324347 1168680636 /nfs/dbraw/zinc/68/06/36/1168680636.db2.gz LLUVWBNOMJYHLX-UHFFFAOYSA-N 2 0 267.417 1.487 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001567329133 1168684346 /nfs/dbraw/zinc/68/43/46/1168684346.db2.gz VPSUKNWCLLXPDB-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567400936 1168734608 /nfs/dbraw/zinc/73/46/08/1168734608.db2.gz WQECTKIPSGYJJA-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567403534 1168737835 /nfs/dbraw/zinc/73/78/35/1168737835.db2.gz PLPWMYYVYDCLKF-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266716801 895898234 /nfs/dbraw/zinc/89/82/34/895898234.db2.gz PUZSWFPFLZHGOM-HRCADAONSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001266948473 896412524 /nfs/dbraw/zinc/41/25/24/896412524.db2.gz JBEOVKXQUHMTEU-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001267173641 897004051 /nfs/dbraw/zinc/00/40/51/897004051.db2.gz BIHRXMBRSSNYRE-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001267307159 897547792 /nfs/dbraw/zinc/54/77/92/897547792.db2.gz MQPHKRYASCICBZ-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCC(=C)C)CC1 ZINC001267474896 898095974 /nfs/dbraw/zinc/09/59/74/898095974.db2.gz VLUMMCXFWNEKGZ-UHFFFAOYSA-N 2 0 291.439 1.346 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267594244 898638424 /nfs/dbraw/zinc/63/84/24/898638424.db2.gz BSAYPXGPGRNGRS-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267656920 899192690 /nfs/dbraw/zinc/19/26/90/899192690.db2.gz ADSSCEFNLPSGNV-ZDUSSCGKSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267702342 899324771 /nfs/dbraw/zinc/32/47/71/899324771.db2.gz FWPCSSJSGVYCAF-JKSUJKDBSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001268001953 900245310 /nfs/dbraw/zinc/24/53/10/900245310.db2.gz MKSZDIFFGRTOLF-CQSZACIVSA-N 2 0 281.444 1.636 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001268010851 900281392 /nfs/dbraw/zinc/28/13/92/900281392.db2.gz RDRGCYVMRLVXTF-LSDHHAIUSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481447754 900692083 /nfs/dbraw/zinc/69/20/83/900692083.db2.gz SZBKANZYQURJIC-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001268084528 901152274 /nfs/dbraw/zinc/15/22/74/901152274.db2.gz OAQZMYXORAVXCP-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CC(C)C)CC1 ZINC001268426046 902041219 /nfs/dbraw/zinc/04/12/19/902041219.db2.gz IYYDIQUBCOLILA-HNNXBMFYSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001481768302 902101129 /nfs/dbraw/zinc/10/11/29/902101129.db2.gz NFYUXBFZABPVGO-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001481892776 902274136 /nfs/dbraw/zinc/27/41/36/902274136.db2.gz YKADTTYWOKKIAH-CYBMUJFWSA-N 2 0 265.401 1.285 10 30 CDEERP C#CC[NH2+]C[C@@](C)(NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001481943996 902386218 /nfs/dbraw/zinc/38/62/18/902386218.db2.gz NNIJQVQYCRBKSJ-QGZVFWFLSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001269083485 903406378 /nfs/dbraw/zinc/40/63/78/903406378.db2.gz DSOKQVQFQBERRF-OAHLLOKOSA-N 2 0 291.439 1.533 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001269117212 903434030 /nfs/dbraw/zinc/43/40/30/903434030.db2.gz YAMFUAGWDSRBJL-LSDHHAIUSA-N 2 0 279.428 1.080 10 30 CDEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001269522932 903890320 /nfs/dbraw/zinc/89/03/20/903890320.db2.gz WDLKNTNIEIUCPJ-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001269971820 904241367 /nfs/dbraw/zinc/24/13/67/904241367.db2.gz JMPDSGMHRIHTDJ-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+][C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001270037227 904296036 /nfs/dbraw/zinc/29/60/36/904296036.db2.gz ZRNLWNCEUWNRKE-SHTZXODSSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001482642229 908108065 /nfs/dbraw/zinc/10/80/65/908108065.db2.gz AICQXXNRFLLRCP-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001409469179 910419807 /nfs/dbraw/zinc/41/98/07/910419807.db2.gz NXPOFUJUSBJYOP-VXGBXAGGSA-N 2 0 273.808 1.318 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001483266001 910759975 /nfs/dbraw/zinc/75/99/75/910759975.db2.gz BURGJCOUSDTUFU-AWEZNQCLSA-N 2 0 289.423 1.685 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001483502079 911201761 /nfs/dbraw/zinc/20/17/61/911201761.db2.gz AZNIAVPZGBKPHA-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001484094369 915427972 /nfs/dbraw/zinc/42/79/72/915427972.db2.gz OPJUFOGXACQZHF-RDJZCZTQSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001484382379 915698744 /nfs/dbraw/zinc/69/87/44/915698744.db2.gz XAQYDTMBXRCUDT-JKSUJKDBSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCO1 ZINC001484695737 916058868 /nfs/dbraw/zinc/05/88/68/916058868.db2.gz HSTJLHOXNRPNQZ-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001484927039 916273630 /nfs/dbraw/zinc/27/36/30/916273630.db2.gz GSTNRELISMOPDL-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001568191898 1169171207 /nfs/dbraw/zinc/17/12/07/1169171207.db2.gz NIDCQGYDOZFIGF-HOTGVXAUSA-N 2 0 293.455 1.474 10 30 CDEERP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001485311548 916793543 /nfs/dbraw/zinc/79/35/43/916793543.db2.gz BLXQEXRBLZIAKN-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001485320701 916805279 /nfs/dbraw/zinc/80/52/79/916805279.db2.gz RHWIXQAYKRGHTL-KBPBESRZSA-N 2 0 290.411 1.458 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001272837886 919893254 /nfs/dbraw/zinc/89/32/54/919893254.db2.gz MXCQKLXFCVEDNM-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]CCC=C)CC1 ZINC001276399059 936616497 /nfs/dbraw/zinc/61/64/97/936616497.db2.gz HWQAGXAKJDCQFV-UHFFFAOYSA-N 2 0 291.439 1.346 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001485922148 920578135 /nfs/dbraw/zinc/57/81/35/920578135.db2.gz HIINYVWPNZBJRE-CQSZACIVSA-N 2 0 283.460 1.977 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001485937335 920604121 /nfs/dbraw/zinc/60/41/21/920604121.db2.gz DMSDPDWQQAVHFN-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490924889 936831460 /nfs/dbraw/zinc/83/14/60/936831460.db2.gz RQCYPJWYGCXCON-IHRRRGAJSA-N 2 0 267.417 1.530 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001273771375 925502485 /nfs/dbraw/zinc/50/24/85/925502485.db2.gz FWUKJDQBQWKZCX-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001494999575 926615932 /nfs/dbraw/zinc/61/59/32/926615932.db2.gz JSJPDSZQARDDKN-KGLIPLIRSA-N 2 0 267.417 1.080 10 30 CDEERP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001488699135 926647332 /nfs/dbraw/zinc/64/73/32/926647332.db2.gz NOQXOIQAMFMULS-AWEZNQCLSA-N 2 0 267.417 1.435 10 30 CDEERP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001568476933 1169310276 /nfs/dbraw/zinc/31/02/76/1169310276.db2.gz QJGKUHVNHPVWQN-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001274152709 931205133 /nfs/dbraw/zinc/20/51/33/931205133.db2.gz HIDRCFWKZPFRQN-FYCOFBDGSA-N 2 0 291.439 1.392 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001274804197 931580495 /nfs/dbraw/zinc/58/04/95/931580495.db2.gz RSUFYPCPHZLDOX-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001275816763 932060957 /nfs/dbraw/zinc/06/09/57/932060957.db2.gz MXQKIOFPXAMUDO-CVEARBPZSA-N 2 0 293.455 1.923 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)C(C)C ZINC000246872795 934852996 /nfs/dbraw/zinc/85/29/96/934852996.db2.gz DDIRSWGIINPOHO-STQMWFEESA-N 2 0 254.422 1.667 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001493214953 935882204 /nfs/dbraw/zinc/88/22/04/935882204.db2.gz QUBMESNZJACMQX-GJZGRUSLSA-N 2 0 279.428 1.034 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001568768713 1169468138 /nfs/dbraw/zinc/46/81/38/1169468138.db2.gz CZPMWDCQGIGGNA-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001281526495 942589056 /nfs/dbraw/zinc/58/90/56/942589056.db2.gz DHMBNZWVGRHOPL-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001282240005 942682887 /nfs/dbraw/zinc/68/28/87/942682887.db2.gz AYJIFBZMUMKSLG-CHWSQXEVSA-N 2 0 255.406 1.386 10 30 CDEERP C#CCC[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001282402907 942706360 /nfs/dbraw/zinc/70/63/60/942706360.db2.gz RJIIQUUMYGGAOT-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001282477729 942718747 /nfs/dbraw/zinc/71/87/47/942718747.db2.gz ITXUCOGXQBVXRJ-CQSZACIVSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001282495827 942723530 /nfs/dbraw/zinc/72/35/30/942723530.db2.gz VZSJNEYMCVPFEO-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001282717790 942744306 /nfs/dbraw/zinc/74/43/06/942744306.db2.gz USSSXSKJRICPKG-ZFWWWQNUSA-N 2 0 281.444 1.585 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001282716241 942744423 /nfs/dbraw/zinc/74/44/23/942744423.db2.gz IAWXIJBZKPMSNS-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001282735820 942746808 /nfs/dbraw/zinc/74/68/08/942746808.db2.gz VDARMMWMFSPEMO-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001283174271 942844714 /nfs/dbraw/zinc/84/47/14/942844714.db2.gz RNQCUJRYLUVISW-JKSUJKDBSA-N 2 0 293.455 1.757 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001283456435 942900411 /nfs/dbraw/zinc/90/04/11/942900411.db2.gz DEFOWZUXWWKDAM-CABCVRRESA-N 2 0 281.444 1.470 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001284025996 943052213 /nfs/dbraw/zinc/05/22/13/943052213.db2.gz NTIGUFRRJSMLKL-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001284600129 943220565 /nfs/dbraw/zinc/22/05/65/943220565.db2.gz ZYHHLTBMFYLMEX-KGLIPLIRSA-N 2 0 281.444 1.326 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C ZINC001284625990 943230124 /nfs/dbraw/zinc/23/01/24/943230124.db2.gz VJCCPPPLHZLNPW-CABCVRRESA-N 2 0 295.471 1.861 10 30 CDEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277725803 943420848 /nfs/dbraw/zinc/42/08/48/943420848.db2.gz BXCGAKCLYFCTNQ-HUUCEWRRSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+]CC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001263195036 943782512 /nfs/dbraw/zinc/78/25/12/943782512.db2.gz DQONVOCDZASCHR-UHFFFAOYSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001277883254 943943141 /nfs/dbraw/zinc/94/31/41/943943141.db2.gz DULHMYSFTOAGGO-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001263851919 944003391 /nfs/dbraw/zinc/00/33/91/944003391.db2.gz YUAUGEKIUUCWGN-IYBDPMFKSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001264401675 944126746 /nfs/dbraw/zinc/12/67/46/944126746.db2.gz GBFWJXUIGQAGPJ-FZNQNYSPSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001264432432 944135451 /nfs/dbraw/zinc/13/54/51/944135451.db2.gz VYFSFPUKKCNYKA-BZUAXINKSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001265142826 944246560 /nfs/dbraw/zinc/24/65/60/944246560.db2.gz QRFFCCXOVHSCQB-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C=CC[NH+]1CCC(N(CCC)C(=O)CC[NH+](C)C)CC1 ZINC001265340519 944349222 /nfs/dbraw/zinc/34/92/22/944349222.db2.gz VCASPZAYIPQTEF-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001265374885 944363388 /nfs/dbraw/zinc/36/33/88/944363388.db2.gz WRKHUNDPVHOYCG-MRXNPFEDSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265436711 944387257 /nfs/dbraw/zinc/38/72/57/944387257.db2.gz MYXPLZQOGUMRLI-QLFBSQMISA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265477030 944403542 /nfs/dbraw/zinc/40/35/42/944403542.db2.gz YXJNXSIPIZUUTG-KKUMJFAQSA-N 2 0 277.412 1.119 10 30 CDEERP C#CCC[NH+]1CCC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265594742 944440693 /nfs/dbraw/zinc/44/06/93/944440693.db2.gz JRIWYJVWUZGRCP-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001265655949 944458095 /nfs/dbraw/zinc/45/80/95/944458095.db2.gz SNFHWSIJKUCKOS-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001265682772 944468468 /nfs/dbraw/zinc/46/84/68/944468468.db2.gz YESYHEXTCALKGP-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001265910636 944570124 /nfs/dbraw/zinc/57/01/24/944570124.db2.gz ICMUDLUKEOUJFU-GJZGRUSLSA-N 2 0 299.434 1.823 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001265932751 944582604 /nfs/dbraw/zinc/58/26/04/944582604.db2.gz WNIDJTNJSDZFBT-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001266069403 944664607 /nfs/dbraw/zinc/66/46/07/944664607.db2.gz VYSLCGHMTUOAHY-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001279315440 944793433 /nfs/dbraw/zinc/79/34/33/944793433.db2.gz KFDVWCYUEVBZOI-DQPZFDDXSA-N 2 0 289.423 1.075 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001279022628 948610510 /nfs/dbraw/zinc/61/05/10/948610510.db2.gz XAUMWRKOSFASOI-CABCVRRESA-N 2 0 293.455 1.472 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001480031380 971546570 /nfs/dbraw/zinc/54/65/70/971546570.db2.gz QYDMUUZVVPUIIU-HNNXBMFYSA-N 2 0 289.423 1.123 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001278520302 949688631 /nfs/dbraw/zinc/68/86/31/949688631.db2.gz DLOVGCAGHLWWED-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001278542537 949858545 /nfs/dbraw/zinc/85/85/45/949858545.db2.gz PJNBCFLDXKTQQD-QGZVFWFLSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001480219718 971634964 /nfs/dbraw/zinc/63/49/64/971634964.db2.gz CBRZOMJJNQWVCK-BETUJISGSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001480286600 971658928 /nfs/dbraw/zinc/65/89/28/971658928.db2.gz SHWXANJEMJJUAT-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001480681355 971836780 /nfs/dbraw/zinc/83/67/80/971836780.db2.gz ZIMKULAREDCZPW-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480794211 971882702 /nfs/dbraw/zinc/88/27/02/971882702.db2.gz WQNFDTUOURCWFT-HZPDHXFCSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCCC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001493138838 971958421 /nfs/dbraw/zinc/95/84/21/971958421.db2.gz XXMBSIPFGZWGJK-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001491757228 955407488 /nfs/dbraw/zinc/40/74/88/955407488.db2.gz PPHNFJHFQPSDLV-KRWDZBQOSA-N 2 0 299.418 1.576 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001328869971 955526708 /nfs/dbraw/zinc/52/67/08/955526708.db2.gz VIRZBGOUKGOETL-UYSNPLJNSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001328876401 955530159 /nfs/dbraw/zinc/53/01/59/955530159.db2.gz PIFVAAUKXBGHLS-YMAMQOFZSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001329473310 955936276 /nfs/dbraw/zinc/93/62/76/955936276.db2.gz YDTMAGJSTYHDLE-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001330699971 956576418 /nfs/dbraw/zinc/57/64/18/956576418.db2.gz IIMVSUKHTJFVHT-KKUMJFAQSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]1CNC(=O)CN(C)Cc1ccccc1 ZINC001317513187 956769807 /nfs/dbraw/zinc/76/98/07/956769807.db2.gz IJNCQQKBSTWPSI-QGZVFWFLSA-N 2 0 299.418 1.332 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)Cn1cncc1C)C1CC1 ZINC001316921641 956885939 /nfs/dbraw/zinc/88/59/39/956885939.db2.gz OTTJBYCCTXXFOX-UHFFFAOYSA-N 2 0 288.395 1.186 10 30 CDEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001331405962 957030077 /nfs/dbraw/zinc/03/00/77/957030077.db2.gz LXQFNAVBOTVXAY-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001316870085 957080351 /nfs/dbraw/zinc/08/03/51/957080351.db2.gz MASWKVXBUYYBAY-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCOCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001331489470 957098457 /nfs/dbraw/zinc/09/84/57/957098457.db2.gz LPROVWXMGVEADA-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001316926160 957129570 /nfs/dbraw/zinc/12/95/70/957129570.db2.gz CFRITPJZXJAVMV-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001316947064 957145113 /nfs/dbraw/zinc/14/51/13/957145113.db2.gz GYHZACGCKSBSAJ-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316987707 957184080 /nfs/dbraw/zinc/18/40/80/957184080.db2.gz YLDIAECRTZUOOR-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001317346583 957432196 /nfs/dbraw/zinc/43/21/96/957432196.db2.gz XFNZCIQCVZSSOX-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001317379857 957443336 /nfs/dbraw/zinc/44/33/36/957443336.db2.gz SXIJFMXWKOMAAB-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001332198092 957475044 /nfs/dbraw/zinc/47/50/44/957475044.db2.gz HYADBFLMNIYNLL-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001332198088 957475408 /nfs/dbraw/zinc/47/54/08/957475408.db2.gz HYADBFLMNIYNLL-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[N@@H+](CCCNC(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001317709485 957644239 /nfs/dbraw/zinc/64/42/39/957644239.db2.gz PFGCMMCKEHPRMJ-OAHLLOKOSA-N 2 0 281.444 1.567 10 30 CDEERP C#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001317810869 957673715 /nfs/dbraw/zinc/67/37/15/957673715.db2.gz GRDWQTCAMVWOSW-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001317840261 957691076 /nfs/dbraw/zinc/69/10/76/957691076.db2.gz PEWHDKFHGCYUJF-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)(C)C ZINC001332806592 957850201 /nfs/dbraw/zinc/85/02/01/957850201.db2.gz LQAQIZSHFOJOJP-LSDHHAIUSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001318830504 958276304 /nfs/dbraw/zinc/27/63/04/958276304.db2.gz GYXHWOMPLGEJAG-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001494910072 972334631 /nfs/dbraw/zinc/33/46/31/972334631.db2.gz MGRIOGGHLPDCKI-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001319231720 958446796 /nfs/dbraw/zinc/44/67/96/958446796.db2.gz WZSCZAUITWSZTR-LSDHHAIUSA-N 2 0 281.444 1.636 10 30 CDEERP C=CC[C@]1(C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC001333771669 958584588 /nfs/dbraw/zinc/58/45/88/958584588.db2.gz OLOXKHWRUFNDNJ-IAGOWNOFSA-N 2 0 291.439 1.677 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001319550506 958625202 /nfs/dbraw/zinc/62/52/02/958625202.db2.gz GEKNJBDWEURILD-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001319831421 958741667 /nfs/dbraw/zinc/74/16/67/958741667.db2.gz JQBXTFOQADDCRM-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001320453983 959181692 /nfs/dbraw/zinc/18/16/92/959181692.db2.gz KADHANZWDMKAIZ-STQMWFEESA-N 2 0 289.851 1.810 10 30 CDEERP C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320738486 959360606 /nfs/dbraw/zinc/36/06/06/959360606.db2.gz WUKAROCHYNRKQK-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001320929187 959464685 /nfs/dbraw/zinc/46/46/85/959464685.db2.gz QTPIJHDBICVDNF-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001321120042 959604736 /nfs/dbraw/zinc/60/47/36/959604736.db2.gz DLHPJNBSTRFNOS-IYKSTZQJSA-N 2 0 279.428 1.699 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001321480136 959811025 /nfs/dbraw/zinc/81/10/25/959811025.db2.gz XYLCMBJOGRDOHN-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+]C[C@](C)(NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001495258962 972459969 /nfs/dbraw/zinc/45/99/69/972459969.db2.gz NPVMDKGXPWKUOX-RDJZCZTQSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001323107304 960456499 /nfs/dbraw/zinc/45/64/99/960456499.db2.gz ADMOGTDHWGLJQR-HUUCEWRRSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001323613718 960862310 /nfs/dbraw/zinc/86/23/10/960862310.db2.gz JMOBPYSFTBVKBB-ZIAGYGMSSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001324286074 961283439 /nfs/dbraw/zinc/28/34/39/961283439.db2.gz NSTQUXZNPXDJPD-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001419488944 961754140 /nfs/dbraw/zinc/75/41/40/961754140.db2.gz COZPHAITKSWKAY-GRYCIOLGSA-N 2 0 273.808 1.316 10 30 CDEERP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001341041906 963249833 /nfs/dbraw/zinc/24/98/33/963249833.db2.gz RVORHSVKWQMWDY-GASCZTMLSA-N 2 0 277.412 1.380 10 30 CDEERP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001420949170 963380414 /nfs/dbraw/zinc/38/04/14/963380414.db2.gz KSIMORPDQIBATN-CQSZACIVSA-N 2 0 299.846 1.615 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[C@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC001343763394 964133981 /nfs/dbraw/zinc/13/39/81/964133981.db2.gz DUXXWSSDHOQAAW-HOCLYGCPSA-N 2 0 279.428 1.581 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC001344411816 964301590 /nfs/dbraw/zinc/30/15/90/964301590.db2.gz XTPCTLMHTRXBGY-HZPDHXFCSA-N 2 0 289.423 1.746 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC001344411815 964302241 /nfs/dbraw/zinc/30/22/41/964302241.db2.gz XTPCTLMHTRXBGY-HOTGVXAUSA-N 2 0 289.423 1.746 10 30 CDEERP N#CCCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460952104 969571124 /nfs/dbraw/zinc/57/11/24/969571124.db2.gz ZLZSNCLGMOXWRF-UHFFFAOYSA-N 2 0 265.401 1.603 10 30 CDEERP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001569639137 1169948625 /nfs/dbraw/zinc/94/86/25/1169948625.db2.gz NDNQZJAHGINRRO-GOEBONIOSA-N 2 0 297.418 1.270 10 30 CDEERP C=CC[NH+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001569642161 1169949111 /nfs/dbraw/zinc/94/91/11/1169949111.db2.gz YGSAPXJWMUWYJX-GDBMZVCRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001497329897 973289147 /nfs/dbraw/zinc/28/91/47/973289147.db2.gz FIUFKMNYNKTTDE-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001373243093 973323830 /nfs/dbraw/zinc/32/38/30/973323830.db2.gz FJMRINUEJIPMEA-CQSZACIVSA-N 2 0 299.846 1.663 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497453351 973349764 /nfs/dbraw/zinc/34/97/64/973349764.db2.gz BCTNISJOHVDPGW-LBPRGKRZSA-N 2 0 287.835 1.519 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)C[N@H+](C)CC(C)(C)C ZINC001497456175 973355063 /nfs/dbraw/zinc/35/50/63/973355063.db2.gz VSTDVUSIJICLMP-UHFFFAOYSA-N 2 0 281.444 1.426 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497586679 973422864 /nfs/dbraw/zinc/42/28/64/973422864.db2.gz XKTBGGWWYZXXSF-IJWDBEHRSA-N 2 0 285.819 1.341 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001497911255 973574302 /nfs/dbraw/zinc/57/43/02/973574302.db2.gz UNKAQTRBGVMQHB-CQSZACIVSA-N 2 0 287.407 1.132 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001498119611 973693141 /nfs/dbraw/zinc/69/31/41/973693141.db2.gz QSGODNVVGVQPRC-UAGQMJEPSA-N 2 0 299.418 1.059 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001498150566 973712701 /nfs/dbraw/zinc/71/27/01/973712701.db2.gz HUDVGCVPACDNFD-AWEZNQCLSA-N 2 0 297.443 1.158 10 30 CDEERP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001498367341 973863305 /nfs/dbraw/zinc/86/33/05/973863305.db2.gz VQEGAAVFSNOFED-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001501090506 974530704 /nfs/dbraw/zinc/53/07/04/974530704.db2.gz DPDFSARNHQDTDH-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001376337982 974634244 /nfs/dbraw/zinc/63/42/44/974634244.db2.gz CSFNXDXNHIZXTF-KBPBESRZSA-N 2 0 299.846 1.661 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001505761198 974984920 /nfs/dbraw/zinc/98/49/20/974984920.db2.gz RCTAWNULZKEJIU-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001506853226 975235401 /nfs/dbraw/zinc/23/54/01/975235401.db2.gz TUWJDXWJCDSEPF-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507152618 975354469 /nfs/dbraw/zinc/35/44/69/975354469.db2.gz DPFJQLVYXZYYLH-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001405277810 975700518 /nfs/dbraw/zinc/70/05/18/975700518.db2.gz GIWYARNTJKAHPB-STQMWFEESA-N 2 0 287.835 1.708 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001569823619 1170006106 /nfs/dbraw/zinc/00/61/06/1170006106.db2.gz HNAUAXIEUFKUJQ-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001492971118 976840975 /nfs/dbraw/zinc/84/09/75/976840975.db2.gz BEAAOSBNJBVIAS-ZDUSSCGKSA-N 2 0 255.406 1.197 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001674687638 1173988126 /nfs/dbraw/zinc/98/81/26/1173988126.db2.gz SZIXYROLUPYLTG-CABCVRRESA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001677281471 1174345557 /nfs/dbraw/zinc/34/55/57/1174345557.db2.gz JLRZNOZABKKSCV-UONOGXRCSA-N 2 0 281.444 1.635 10 30 CDEERP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001569915636 1170037379 /nfs/dbraw/zinc/03/73/79/1170037379.db2.gz SYQMXLYGUOAUCN-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001570216048 1170113686 /nfs/dbraw/zinc/11/36/86/1170113686.db2.gz SVZRPBHWRYEPFC-OAHLLOKOSA-N 2 0 279.428 1.132 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001570736372 1170262211 /nfs/dbraw/zinc/26/22/11/1170262211.db2.gz WNWXXPIYUBPDNM-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001570754196 1170273421 /nfs/dbraw/zinc/27/34/21/1170273421.db2.gz YODMFAZGQGZWQO-ZDUSSCGKSA-N 2 0 255.406 1.339 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001571512365 1170458868 /nfs/dbraw/zinc/45/88/68/1170458868.db2.gz FOEHHVIBYDPXDP-BZUAXINKSA-N 2 0 293.455 1.729 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001571547791 1170472723 /nfs/dbraw/zinc/47/27/23/1170472723.db2.gz GZEPXCCHMKZQLI-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001656398929 1171819849 /nfs/dbraw/zinc/81/98/49/1171819849.db2.gz RKLHYKQHQLXTJN-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000651685811 398149341 /nfs/dbraw/zinc/14/93/41/398149341.db2.gz FPWDQGBXJLRDJK-KFWWJZLASA-N 2 0 252.402 1.778 10 30 CDEERP C=CC[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000625700683 342194033 /nfs/dbraw/zinc/19/40/33/342194033.db2.gz KVYQLGZWCYPYRI-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594435253 342898878 /nfs/dbraw/zinc/89/88/78/342898878.db2.gz CVRJZBZRMYHTOO-AWEZNQCLSA-N 2 0 282.432 1.444 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000594439452 342906735 /nfs/dbraw/zinc/90/67/35/342906735.db2.gz QPSPVXYWIPGDII-ZDUSSCGKSA-N 2 0 260.341 1.495 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000594439497 342906800 /nfs/dbraw/zinc/90/68/00/342906800.db2.gz RHXUWYQWWLSATP-HNNXBMFYSA-N 2 0 288.395 1.385 10 30 CDEERP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCCCN2C2CC2)CC1 ZINC000600734427 342245957 /nfs/dbraw/zinc/24/59/57/342245957.db2.gz PIBCGYFOAZMYSF-CABCVRRESA-N 2 0 277.412 1.648 10 30 CDEERP C[NH2+]Cc1ccccc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426875 342904607 /nfs/dbraw/zinc/90/46/07/342904607.db2.gz RIOOQCBFJMUCCP-ZDUSSCGKSA-N 2 0 274.368 1.756 10 30 CDEERP CN(CCC[NH+](C)C)CCNc1ncc(C#N)cc1F ZINC000596424303 343311396 /nfs/dbraw/zinc/31/13/96/343311396.db2.gz HATLXJOXIYAACD-UHFFFAOYSA-N 2 0 279.363 1.388 10 30 CDEERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000600712211 349876708 /nfs/dbraw/zinc/87/67/08/349876708.db2.gz UWTZTMWHGFRZRK-LLVKDONJSA-N 2 0 265.332 1.584 10 30 CDEERP C[C@@H]1C[C@H](N(C)Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1C ZINC000581943880 364052685 /nfs/dbraw/zinc/05/26/85/364052685.db2.gz DVAMDHRCKNBLOL-IUODEOHRSA-N 2 0 298.394 1.515 10 30 CDEERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528399982 367826282 /nfs/dbraw/zinc/82/62/82/367826282.db2.gz MIKXKUZYXLFUQS-CABCVRRESA-N 2 0 279.428 1.705 10 30 CDEERP C=CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001661866509 1172458974 /nfs/dbraw/zinc/45/89/74/1172458974.db2.gz PBXIVOKGCPUWQA-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000660597565 412879319 /nfs/dbraw/zinc/87/93/19/412879319.db2.gz RBJJJOAKOIZWMC-UHFFFAOYSA-N 2 0 294.443 1.230 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCC(C)C)CC1 ZINC001662423450 1172547051 /nfs/dbraw/zinc/54/70/51/1172547051.db2.gz DADUGNKXXKWBPE-HNNXBMFYSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCCCC)CC1 ZINC001663340087 1172675588 /nfs/dbraw/zinc/67/55/88/1172675588.db2.gz YNMQFRLBVOLXJU-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001663968804 1172795504 /nfs/dbraw/zinc/79/55/04/1172795504.db2.gz WIXNPWSICRGVCQ-ZDUSSCGKSA-N 2 0 287.835 1.661 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H](CC(C)C)[NH+](C)C)CCC[NH2+]1 ZINC000662673887 413290583 /nfs/dbraw/zinc/29/05/83/413290583.db2.gz RXZNNRSOSRCNRV-GOEBONIOSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020315954 171146062 /nfs/dbraw/zinc/14/60/62/171146062.db2.gz SQKFSVSUWMEXBI-KGLIPLIRSA-N 2 0 269.433 1.777 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001666778348 1173184966 /nfs/dbraw/zinc/18/49/66/1173184966.db2.gz LLAQRHKEWXAUNR-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCC1 ZINC001666787521 1173185532 /nfs/dbraw/zinc/18/55/32/1173185532.db2.gz SWVWXRYIFFUERM-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001667199373 1173244603 /nfs/dbraw/zinc/24/46/03/1173244603.db2.gz ZECGTDXZDAUDOG-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@@H+](C)CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001667668602 1173308849 /nfs/dbraw/zinc/30/88/49/1173308849.db2.gz BJFCTPILFFBCCX-UHFFFAOYSA-N 2 0 287.407 1.385 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]21 ZINC001667701756 1173312313 /nfs/dbraw/zinc/31/23/13/1173312313.db2.gz PNIHBZAJFHVYKM-CVEARBPZSA-N 2 0 293.455 1.826 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001669980502 1173638751 /nfs/dbraw/zinc/63/87/51/1173638751.db2.gz KIHQSNJAXHGXBG-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[N@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001671675078 1173701755 /nfs/dbraw/zinc/70/17/55/1173701755.db2.gz SPLTYFJOVDYMCM-HOCLYGCPSA-N 2 0 288.395 1.438 10 30 CDEERP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672531404 1173781419 /nfs/dbraw/zinc/78/14/19/1173781419.db2.gz UQWSKVOLXQADNL-CABCVRRESA-N 2 0 277.412 1.027 10 30 CDEERP CC[NH+]1CCC(C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000386058397 323730188 /nfs/dbraw/zinc/73/01/88/323730188.db2.gz ARUSYGJUNMXLRF-UHFFFAOYSA-N 2 0 264.398 1.836 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001690787383 1175571857 /nfs/dbraw/zinc/57/18/57/1175571857.db2.gz HUPMPJCWVNJJMR-LSDHHAIUSA-N 2 0 279.428 1.367 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1C[C@H](C)O[C@@H](C)C1 ZINC000262240339 330002480 /nfs/dbraw/zinc/00/24/80/330002480.db2.gz XXSNFDMLNJEDTP-KCQAQPDRSA-N 2 0 296.459 1.579 10 30 CDEERP N#CCCC[C@@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000580433013 330132107 /nfs/dbraw/zinc/13/21/07/330132107.db2.gz ANDNTKZWLRZMPS-HUUCEWRRSA-N 2 0 286.379 1.092 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001690881558 1175598482 /nfs/dbraw/zinc/59/84/82/1175598482.db2.gz WTCWETLZMQBZBA-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[N@@H+](C)CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001267215184 1159181553 /nfs/dbraw/zinc/18/15/53/1159181553.db2.gz IPIHGCHGOMDCBX-CQSZACIVSA-N 2 0 267.417 1.178 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001698861594 1175967776 /nfs/dbraw/zinc/96/77/76/1175967776.db2.gz QQRCOYXHUGQKHF-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001700920840 1160103024 /nfs/dbraw/zinc/10/30/24/1160103024.db2.gz BSEHDDGJHARWLT-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001271093621 1160244701 /nfs/dbraw/zinc/24/47/01/1160244701.db2.gz QPLFTIBIPVMXCN-LLVKDONJSA-N 2 0 261.797 1.127 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001691533865 1160595627 /nfs/dbraw/zinc/59/56/27/1160595627.db2.gz JJSSJAJUNHAFRH-RBSFLKMASA-N 2 0 281.444 1.633 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482924310 1160646390 /nfs/dbraw/zinc/64/63/90/1160646390.db2.gz PJZXNWAGTXUNSV-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001691622880 1160721308 /nfs/dbraw/zinc/72/13/08/1160721308.db2.gz CPUQKNJCKTZJMY-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483464893 1160925320 /nfs/dbraw/zinc/92/53/20/1160925320.db2.gz DTDIQTXSBJZNNE-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001733130504 1161533084 /nfs/dbraw/zinc/53/30/84/1161533084.db2.gz FEKYNDSOEDPYRC-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001716039291 1180011466 /nfs/dbraw/zinc/01/14/66/1180011466.db2.gz QIKMTRRWQFIBKC-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001716540515 1180276625 /nfs/dbraw/zinc/27/66/25/1180276625.db2.gz HUQSYBAUHKFXOL-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001717945984 1180939959 /nfs/dbraw/zinc/93/99/59/1180939959.db2.gz LQYBCSOZIMFRQS-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP CC[NH+]1CCN(CCOc2ccc(C#CC[NH3+])cc2)CC1 ZINC000049608707 521683939 /nfs/dbraw/zinc/68/39/39/521683939.db2.gz ZOHRVZZVHLLOML-UHFFFAOYSA-N 2 0 287.407 1.013 10 30 CDEERP [NH3+]CC#Cc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000049334057 527152162 /nfs/dbraw/zinc/15/21/62/527152162.db2.gz UPHNFBVHGYZVMU-UHFFFAOYSA-N 2 0 258.365 1.862 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001688888770 1175054178 /nfs/dbraw/zinc/05/41/78/1175054178.db2.gz NRTBIUPFOJLNHU-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940624282 613027149 /nfs/dbraw/zinc/02/71/49/613027149.db2.gz CJBJUVMPMZNVHU-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C#C[C@H]([NH2+]CC1CC[NH+](C)CC1)C1CCOCC1 ZINC000895434574 619660838 /nfs/dbraw/zinc/66/08/38/619660838.db2.gz BRCGRNFJKZLCEV-HNNXBMFYSA-N 2 0 250.386 1.346 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000900133964 622725508 /nfs/dbraw/zinc/72/55/08/622725508.db2.gz CUTPFGYATUASFU-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000900216887 622809989 /nfs/dbraw/zinc/80/99/89/622809989.db2.gz YONCXXBGLZSICW-UONOGXRCSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000900683525 623371132 /nfs/dbraw/zinc/37/11/32/623371132.db2.gz BCNMJXPKVQECIC-CQSZACIVSA-N 2 0 269.433 1.587 10 30 CDEERP C=CCCC[N@@H+](CC)CN1C[C@@H](c2cncn2C)CC1=O ZINC000902668993 625198051 /nfs/dbraw/zinc/19/80/51/625198051.db2.gz GUHGNZDZCBRNCB-AWEZNQCLSA-N 2 0 290.411 1.982 10 30 CDEERP C=CC1CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903893294 626134873 /nfs/dbraw/zinc/13/48/73/626134873.db2.gz UOYRVHNMBLZFKY-HNNXBMFYSA-N 2 0 276.428 1.744 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000911190075 629192491 /nfs/dbraw/zinc/19/24/91/629192491.db2.gz GPQQZUCHORWTDS-UHFFFAOYSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000912521753 630057206 /nfs/dbraw/zinc/05/72/06/630057206.db2.gz GKTATGGINWYDHM-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001690317326 1175435282 /nfs/dbraw/zinc/43/52/82/1175435282.db2.gz GBFXZXZXAKHHGN-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480878465 1158559775 /nfs/dbraw/zinc/55/97/75/1158559775.db2.gz HDAXEKJWRRCEGM-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001283102028 1158787595 /nfs/dbraw/zinc/78/75/95/1158787595.db2.gz VZUYVOXTTKMXJW-KKUMJFAQSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001717205314 1158473412 /nfs/dbraw/zinc/47/34/12/1158473412.db2.gz DPXRBKJXUBVSLT-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001266911206 1158981748 /nfs/dbraw/zinc/98/17/48/1158981748.db2.gz IANUWYNTFWDAOP-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001268564513 1159971676 /nfs/dbraw/zinc/97/16/76/1159971676.db2.gz UTQLPRDNWIFRGL-ONEGZZNKSA-N 2 0 263.385 1.063 10 30 CDEERP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001670937133 1161392104 /nfs/dbraw/zinc/39/21/04/1161392104.db2.gz FPSROMJLVAUCMW-GOOCMWNKSA-N 2 0 279.428 1.626 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[NH+](CC)CC ZINC000876724955 1165901008 /nfs/dbraw/zinc/90/10/08/1165901008.db2.gz KOEJQLVRXFIXPB-GFCCVEGCSA-N 2 0 275.824 1.695 10 30 CDEERP C=CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000878198598 1166159159 /nfs/dbraw/zinc/15/91/59/1166159159.db2.gz NMRQRLQMFCLCNL-UONOGXRCSA-N 2 0 265.401 1.189 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001635962582 1166636043 /nfs/dbraw/zinc/63/60/43/1166636043.db2.gz GQZYTLSRJPIPGX-AWEZNQCLSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001566712802 1168398581 /nfs/dbraw/zinc/39/85/81/1168398581.db2.gz QZTDXAMXIBWSJI-BPLDGKMQSA-N 2 0 279.428 1.387 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001567178058 1168607533 /nfs/dbraw/zinc/60/75/33/1168607533.db2.gz JKVAAVAVRIAFAU-GJZGRUSLSA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567730833 1168939940 /nfs/dbraw/zinc/93/99/40/1168939940.db2.gz FJPDHXCIMWLMRK-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]C[C@](C)(NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001568025957 1169123131 /nfs/dbraw/zinc/12/31/31/1169123131.db2.gz HQVJTUQZLUXDEK-INIZCTEOSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001671243182 1169248322 /nfs/dbraw/zinc/24/83/22/1169248322.db2.gz BGWWZLVQAKUHPT-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001569689749 1169966545 /nfs/dbraw/zinc/96/65/45/1169966545.db2.gz GSJBLFHBEYAJPD-UKRRQHHQSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001569915634 1170036334 /nfs/dbraw/zinc/03/63/34/1170036334.db2.gz SYQMXLYGUOAUCN-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001571488709 1170452123 /nfs/dbraw/zinc/45/21/23/1170452123.db2.gz GYXYSGDRHHZICP-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001661141384 1172341089 /nfs/dbraw/zinc/34/10/89/1172341089.db2.gz AQQCPVHOQVNPMB-HUUCEWRRSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001669336073 1173537440 /nfs/dbraw/zinc/53/74/40/1173537440.db2.gz CWGMOOPBHRNWJO-CQSZACIVSA-N 2 0 293.455 1.757 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001674694168 1173989771 /nfs/dbraw/zinc/98/97/71/1173989771.db2.gz QSYAWZVICDJELQ-OLZOCXBDSA-N 2 0 265.401 1.284 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC)C1 ZINC001690341526 1175443314 /nfs/dbraw/zinc/44/33/14/1175443314.db2.gz RMYPEQOGTSXBRF-ZNMIVQPWSA-N 2 0 277.412 1.121 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001690536029 1175489436 /nfs/dbraw/zinc/48/94/36/1175489436.db2.gz UVXQGTGGWOXYDL-UYSNPLJNSA-N 2 0 291.439 1.511 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1CC ZINC001692005398 1175665255 /nfs/dbraw/zinc/66/52/55/1175665255.db2.gz XFUUJJCRZVSZJO-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001692086178 1175674639 /nfs/dbraw/zinc/67/46/39/1175674639.db2.gz OZLPQESBKZHQGI-PMPSAXMXSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001698841932 1175958903 /nfs/dbraw/zinc/95/89/03/1175958903.db2.gz XJYGMPROJKYROE-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001698861837 1175969139 /nfs/dbraw/zinc/96/91/39/1175969139.db2.gz SPQFFMNMMPLBDO-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001698899116 1175980627 /nfs/dbraw/zinc/98/06/27/1175980627.db2.gz OZUSBXGCIFHMKW-HOCLYGCPSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699098443 1176092046 /nfs/dbraw/zinc/09/20/46/1176092046.db2.gz DJBMTUKJSVVOEX-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001699387268 1176347118 /nfs/dbraw/zinc/34/71/18/1176347118.db2.gz QSGODNVVGVQPRC-OIISXLGYSA-N 2 0 299.418 1.059 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001699750449 1176606457 /nfs/dbraw/zinc/60/64/57/1176606457.db2.gz CVRZLNPNHDXTQI-OWCLPIDISA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001699931549 1176686689 /nfs/dbraw/zinc/68/66/89/1176686689.db2.gz DMGCSFSAZGJZOG-UONOGXRCSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001700132309 1176763627 /nfs/dbraw/zinc/76/36/27/1176763627.db2.gz XLSOPOBFZGCYPL-UHFFFAOYSA-N 2 0 277.412 1.123 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001700187141 1176787942 /nfs/dbraw/zinc/78/79/42/1176787942.db2.gz JTHWAJFQFPJITA-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001700381735 1176886194 /nfs/dbraw/zinc/88/61/94/1176886194.db2.gz ASKXQXKGXMBTBH-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001700477332 1176967357 /nfs/dbraw/zinc/96/73/57/1176967357.db2.gz QNUZWOQGTIRMQL-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001700698527 1177079890 /nfs/dbraw/zinc/07/98/90/1177079890.db2.gz SVHKWMVAGGXQMB-UHFFFAOYSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001700769048 1177123464 /nfs/dbraw/zinc/12/34/64/1177123464.db2.gz VNLNHYKIXQLSGR-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001707467442 1178064435 /nfs/dbraw/zinc/06/44/35/1178064435.db2.gz JDMHSIRKVVRVEU-KRWDZBQOSA-N 2 0 291.439 1.324 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001712991875 1178290073 /nfs/dbraw/zinc/29/00/73/1178290073.db2.gz ZHHBBQOZAOTQFZ-UHFFFAOYSA-N 2 0 267.417 1.487 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713083987 1178356762 /nfs/dbraw/zinc/35/67/62/1178356762.db2.gz FGIOPXOOQZRIOA-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713208335 1178432897 /nfs/dbraw/zinc/43/28/97/1178432897.db2.gz JKMWEZBBDJANHK-GASCZTMLSA-N 2 0 279.428 1.675 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713551697 1178641551 /nfs/dbraw/zinc/64/15/51/1178641551.db2.gz XAQFEGOWOIZJMV-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001713755654 1178739761 /nfs/dbraw/zinc/73/97/61/1178739761.db2.gz FUIFMDSMUBMXMO-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)CC[NH+](C)C)C1 ZINC001713835766 1178784859 /nfs/dbraw/zinc/78/48/59/1178784859.db2.gz JPGXASNFNVYVKB-GFCCVEGCSA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001713867042 1178802903 /nfs/dbraw/zinc/80/29/03/1178802903.db2.gz ZWKFSUROCBKCPM-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001714005323 1178922872 /nfs/dbraw/zinc/92/28/72/1178922872.db2.gz CIBLKXVYLPJHEY-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714018858 1178930764 /nfs/dbraw/zinc/93/07/64/1178930764.db2.gz WJAYZXXJSINFNK-OAGGEKHMSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001714090709 1178968277 /nfs/dbraw/zinc/96/82/77/1178968277.db2.gz AEJOYROKMWTEIZ-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001714258132 1179050882 /nfs/dbraw/zinc/05/08/82/1179050882.db2.gz MHSJDUIUZVPQMP-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001714367466 1179107242 /nfs/dbraw/zinc/10/72/42/1179107242.db2.gz OQTPMYKNKAAJBY-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001714384787 1179116338 /nfs/dbraw/zinc/11/63/38/1179116338.db2.gz IRSMQTWFCDSHEH-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001714385755 1179117257 /nfs/dbraw/zinc/11/72/57/1179117257.db2.gz QZGNHHVDUUSNAI-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714445476 1179143358 /nfs/dbraw/zinc/14/33/58/1179143358.db2.gz IXNZTTUSQDFCLT-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001714816870 1179409873 /nfs/dbraw/zinc/40/98/73/1179409873.db2.gz RUCZFGJPQZXYJK-UKRRQHHQSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001715467211 1179674070 /nfs/dbraw/zinc/67/40/70/1179674070.db2.gz ZPTSIMGDLBFONT-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001715467053 1179674394 /nfs/dbraw/zinc/67/43/94/1179674394.db2.gz PEJGZVPEVFSSBX-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001715591430 1179727769 /nfs/dbraw/zinc/72/77/69/1179727769.db2.gz AYBKLMHTSYJLRF-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716139765 1180068816 /nfs/dbraw/zinc/06/88/16/1180068816.db2.gz HJQYWQILFFWDIZ-HIFRSBDPSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001716451313 1180217751 /nfs/dbraw/zinc/21/77/51/1180217751.db2.gz KEIMCHHCBXDMAO-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001716849945 1180439577 /nfs/dbraw/zinc/43/95/77/1180439577.db2.gz HWKVEXPVORPLNW-UKRRQHHQSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001716876471 1180450307 /nfs/dbraw/zinc/45/03/07/1180450307.db2.gz RQJHLCDQXJYLKZ-KRWDZBQOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001716969353 1180485446 /nfs/dbraw/zinc/48/54/46/1180485446.db2.gz MTVORGOUBNBEIB-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001716974202 1180486644 /nfs/dbraw/zinc/48/66/44/1180486644.db2.gz XGEAEKZMTJISEW-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717640916 1180770113 /nfs/dbraw/zinc/77/01/13/1180770113.db2.gz OTWJQPKGSMFXCS-SHTZXODSSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001717841717 1180889123 /nfs/dbraw/zinc/88/91/23/1180889123.db2.gz URRIVVBFMDXPGQ-DOTOQJQBSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001717887728 1180913554 /nfs/dbraw/zinc/91/35/54/1180913554.db2.gz TWGFAZLYULPQDM-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001717887729 1180914446 /nfs/dbraw/zinc/91/44/46/1180914446.db2.gz TWGFAZLYULPQDM-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001723357044 1181543531 /nfs/dbraw/zinc/54/35/31/1181543531.db2.gz USRYSDPNULQQHR-INIZCTEOSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001723544127 1181585069 /nfs/dbraw/zinc/58/50/69/1181585069.db2.gz KTSONDSLOMVFOX-UHFFFAOYSA-N 2 0 299.418 1.276 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001723938093 1181624491 /nfs/dbraw/zinc/62/44/91/1181624491.db2.gz SYICJELYLRPWLV-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001724896066 1181787472 /nfs/dbraw/zinc/78/74/72/1181787472.db2.gz DRCWAEDXINSHOU-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001725004072 1181821768 /nfs/dbraw/zinc/82/17/68/1181821768.db2.gz VFKHPHQHEFGKHV-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001725498423 1182024867 /nfs/dbraw/zinc/02/48/67/1182024867.db2.gz IVWZDCKLEFEYDI-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001731703806 1182524022 /nfs/dbraw/zinc/52/40/22/1182524022.db2.gz QSYQQFBWHWVUFZ-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[N@@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001731883952 1182649338 /nfs/dbraw/zinc/64/93/38/1182649338.db2.gz BVXSOSZKVBIHFJ-HOCLYGCPSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001732164657 1182826195 /nfs/dbraw/zinc/82/61/95/1182826195.db2.gz GFACBFBJSCMLOX-HUUCEWRRSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001732571263 1183015362 /nfs/dbraw/zinc/01/53/62/1183015362.db2.gz ARANMASVYNTVRV-CABCVRRESA-N 2 0 281.444 1.635 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001733329170 1183398394 /nfs/dbraw/zinc/39/83/94/1183398394.db2.gz SRKAWTXGWQEFEV-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001733654863 1183491111 /nfs/dbraw/zinc/49/11/11/1183491111.db2.gz MSDMAMDHMNGIGZ-HNNXBMFYSA-N 2 0 289.423 1.076 10 30 CDEERP C#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)C1 ZINC001733879573 1183557689 /nfs/dbraw/zinc/55/76/89/1183557689.db2.gz SBAXHELPPMHHFI-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001734146144 1183673612 /nfs/dbraw/zinc/67/36/12/1183673612.db2.gz OADJIZJLMQRGSG-AWEZNQCLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)CCC)C[C@@]2(C)C1 ZINC001734205432 1183690731 /nfs/dbraw/zinc/69/07/31/1183690731.db2.gz FFFODYIPPKAUJW-CALCHBBNSA-N 2 0 291.439 1.132 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001734253623 1183704720 /nfs/dbraw/zinc/70/47/20/1183704720.db2.gz DCWDOAOJTDUTQP-CQSZACIVSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CC2CC2)CC1 ZINC001734355548 1183744873 /nfs/dbraw/zinc/74/48/73/1183744873.db2.gz FQQSSQXYJGBYIG-AWEZNQCLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021172 1165133560 /nfs/dbraw/zinc/13/35/60/1165133560.db2.gz BTAJXHFKHDDRNN-ZIAGYGMSSA-N 2 0 267.417 1.150 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001691739956 1166852813 /nfs/dbraw/zinc/85/28/13/1166852813.db2.gz CWLQOARNPVOPLT-QLFBSQMISA-N 2 0 281.444 1.633 10 30 CDEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001566629228 1168362101 /nfs/dbraw/zinc/36/21/01/1168362101.db2.gz VOMMCCYPZOGYDL-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001493682237 912610317 /nfs/dbraw/zinc/61/03/17/912610317.db2.gz VDCOSFPAXZKAHO-UHFFFAOYSA-N 2 0 287.407 1.038 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001567153281 1168598790 /nfs/dbraw/zinc/59/87/90/1168598790.db2.gz LCHNGWQASBZFTP-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001567334962 1168688348 /nfs/dbraw/zinc/68/83/48/1168688348.db2.gz ILOOAWMYFFBZMO-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001266329088 894410331 /nfs/dbraw/zinc/41/03/31/894410331.db2.gz XIKXSOSXJOHZAY-SJORKVTESA-N 2 0 299.418 1.013 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001266417440 894771917 /nfs/dbraw/zinc/77/19/17/894771917.db2.gz DZIBSMUUDCBUSR-HNNXBMFYSA-N 2 0 291.439 1.675 10 30 CDEERP CC#CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)C1CC1 ZINC001266596503 895501047 /nfs/dbraw/zinc/50/10/47/895501047.db2.gz HHNZUGVYBBKNCT-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@H]1CC[NH3+] ZINC000723901815 896260050 /nfs/dbraw/zinc/26/00/50/896260050.db2.gz KNYKYVXYZOHVEJ-WQVCFCJDSA-N 2 0 273.380 1.508 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001267091568 896752098 /nfs/dbraw/zinc/75/20/98/896752098.db2.gz PZVLSYLAXILVHD-CVEARBPZSA-N 2 0 293.455 1.759 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001267217059 897179930 /nfs/dbraw/zinc/17/99/30/897179930.db2.gz WWFBLSRGHYGNCP-GDBMZVCRSA-N 2 0 295.471 1.975 10 30 CDEERP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)CC(C)C ZINC000066243268 898254549 /nfs/dbraw/zinc/25/45/49/898254549.db2.gz NNLUNJQBBVAJRV-LSDHHAIUSA-N 2 0 298.475 1.826 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001481044542 898674042 /nfs/dbraw/zinc/67/40/42/898674042.db2.gz QZRYINVTYRRLGX-HNNXBMFYSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001267864389 899899300 /nfs/dbraw/zinc/89/93/00/899899300.db2.gz CLNSBIODIHMEHF-XJKSGUPXSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001268010850 900279805 /nfs/dbraw/zinc/27/98/05/900279805.db2.gz RDRGCYVMRLVXTF-HUUCEWRRSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001481505208 900956552 /nfs/dbraw/zinc/95/65/52/900956552.db2.gz RAVQGHAYCHTWRK-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481654602 901726430 /nfs/dbraw/zinc/72/64/30/901726430.db2.gz HIEVYKJNSADMPU-AWEZNQCLSA-N 2 0 291.439 1.485 10 30 CDEERP C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268348073 901910258 /nfs/dbraw/zinc/91/02/58/901910258.db2.gz GBDOOICYXDRRFX-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268734410 903056614 /nfs/dbraw/zinc/05/66/14/903056614.db2.gz WDXMAWRNUODLPV-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CN1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001269350474 903726973 /nfs/dbraw/zinc/72/69/73/903726973.db2.gz IZEVQJXSKZJQSR-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001269740206 904077750 /nfs/dbraw/zinc/07/77/50/904077750.db2.gz BWYMHZDZMUZZDQ-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001280094210 904183600 /nfs/dbraw/zinc/18/36/00/904183600.db2.gz JXOHJNIEZXYJSI-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001269963406 904239471 /nfs/dbraw/zinc/23/94/71/904239471.db2.gz ZDEUFDYLOGCAGH-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001270051364 904309237 /nfs/dbraw/zinc/30/92/37/904309237.db2.gz VMHIIRMRXZONSO-OWCLPIDISA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001270293551 904511824 /nfs/dbraw/zinc/51/18/24/904511824.db2.gz VZDHFPUSQCWLHG-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001567849397 1169013616 /nfs/dbraw/zinc/01/36/16/1169013616.db2.gz XLAGSIUOFYQIOY-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482458252 905669263 /nfs/dbraw/zinc/66/92/63/905669263.db2.gz CAJXYZBYKARQDA-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C(C)C ZINC001271846424 906891298 /nfs/dbraw/zinc/89/12/98/906891298.db2.gz PXTCJRVFJDKAHJ-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001271853762 906900708 /nfs/dbraw/zinc/90/07/08/906900708.db2.gz LQOGHWNPFGPIOS-CYBMUJFWSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001271862533 906911073 /nfs/dbraw/zinc/91/10/73/906911073.db2.gz YSINFQGSSJGYJG-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001482698015 908293478 /nfs/dbraw/zinc/29/34/78/908293478.db2.gz IPHYZDOJESYUOF-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483012353 908689118 /nfs/dbraw/zinc/68/91/18/908689118.db2.gz UAFLILOQSUPQHG-JZIMQPMSSA-N 2 0 277.412 1.166 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001568021445 1169121183 /nfs/dbraw/zinc/12/11/83/1169121183.db2.gz DCPQUXFMZBONKN-INIZCTEOSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001483846309 915108206 /nfs/dbraw/zinc/10/82/06/915108206.db2.gz GHRGEUHCSVZDNG-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483955613 915241502 /nfs/dbraw/zinc/24/15/02/915241502.db2.gz MJYZEJRKCBZUOH-ZIAGYGMSSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC=C)CC1 ZINC001483989395 915267814 /nfs/dbraw/zinc/26/78/14/915267814.db2.gz ILELYFVGYGMBMB-HNNXBMFYSA-N 2 0 289.423 1.050 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484526669 915849098 /nfs/dbraw/zinc/84/90/98/915849098.db2.gz YUESJLNRJGQICT-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001484909973 916262861 /nfs/dbraw/zinc/26/28/61/916262861.db2.gz QZMVPYXHLHHELD-UONOGXRCSA-N 2 0 267.417 1.339 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485265362 916708276 /nfs/dbraw/zinc/70/82/76/916708276.db2.gz XDIOUPLLGHCKMU-CQSZACIVSA-N 2 0 279.428 1.036 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001491069279 936850427 /nfs/dbraw/zinc/85/04/27/936850427.db2.gz HDGVQJQLLMFJQT-KFWWJZLASA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001491081172 936852240 /nfs/dbraw/zinc/85/22/40/936852240.db2.gz YQKTVYFOOJIIGH-GASCZTMLSA-N 2 0 277.412 1.123 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001491360427 936898147 /nfs/dbraw/zinc/89/81/47/936898147.db2.gz IAEQJILJUBKLPF-QQFBHYJXSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001491369754 936898590 /nfs/dbraw/zinc/89/85/90/936898590.db2.gz PUOALPQATMIEFI-UHFFFAOYSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001142176042 936985178 /nfs/dbraw/zinc/98/51/78/936985178.db2.gz JMTMNZATWFXPFL-UHFFFAOYSA-N 2 0 281.444 1.683 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001493043174 926906102 /nfs/dbraw/zinc/90/61/02/926906102.db2.gz NBPNFKKDDIGFJZ-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[C@@]1(C(=O)NCc2ccc(CC[NH3+])cc2)CCC[NH2+]1 ZINC000852795631 927872444 /nfs/dbraw/zinc/87/24/44/927872444.db2.gz YVRYQRYFJZHXNI-KRWDZBQOSA-N 2 0 287.407 1.502 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852866466 927900569 /nfs/dbraw/zinc/90/05/69/927900569.db2.gz HUGVCRJRLYRJBO-UHFFFAOYSA-N 2 0 263.385 1.063 10 30 CDEERP C#CC[N@H+](C)CCCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000858421044 928856482 /nfs/dbraw/zinc/85/64/82/928856482.db2.gz LREUZVODTWEBEO-CQSZACIVSA-N 2 0 251.418 1.404 10 30 CDEERP C=CC(C)(C)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000881020931 929775360 /nfs/dbraw/zinc/77/53/60/929775360.db2.gz SFFVTDPEGDNLKA-HUUCEWRRSA-N 2 0 295.471 1.787 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568532680 1169351716 /nfs/dbraw/zinc/35/17/16/1169351716.db2.gz HVASTEUTGCHBSZ-CABCVRRESA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001274344975 931491968 /nfs/dbraw/zinc/49/19/68/931491968.db2.gz KFTHNEBFUWLLHL-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001274840801 931590178 /nfs/dbraw/zinc/59/01/78/931590178.db2.gz JILJRCMQDHIOBB-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001275392563 931768650 /nfs/dbraw/zinc/76/86/50/931768650.db2.gz XSWCVOXJHRMMHQ-ZDUSSCGKSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCCC[N@@H+](CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000934650580 933962966 /nfs/dbraw/zinc/96/29/66/933962966.db2.gz MKDJCNLUUNJQHT-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C)n1 ZINC000303879714 935046323 /nfs/dbraw/zinc/04/63/23/935046323.db2.gz GUBVYRYEWDEKCS-AWEZNQCLSA-N 2 0 275.400 1.279 10 30 CDEERP CCc1nc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cs1 ZINC000304741388 935086108 /nfs/dbraw/zinc/08/61/08/935086108.db2.gz CBSPOCBCJSZZLX-LBPRGKRZSA-N 2 0 295.456 1.594 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CCCC1 ZINC001278241693 945205156 /nfs/dbraw/zinc/20/51/56/945205156.db2.gz RJOOZXGWKVKASR-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[C@@H](O)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001203536216 939692193 /nfs/dbraw/zinc/69/21/93/939692193.db2.gz IWPMMEJVDORCMY-MRXNPFEDSA-N 2 0 290.407 1.491 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001276468462 939766085 /nfs/dbraw/zinc/76/60/85/939766085.db2.gz KDDPXXJBJCSCHK-GDBMZVCRSA-N 2 0 293.455 1.729 10 30 CDEERP C=C[C@@H](COC)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001205489330 939893981 /nfs/dbraw/zinc/89/39/81/939893981.db2.gz OMMGWJXNKTYOMQ-FHERZECASA-N 2 0 282.428 1.811 10 30 CDEERP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001276728024 940903791 /nfs/dbraw/zinc/90/37/91/940903791.db2.gz RUMPYVVDHNHQCZ-LVQVYYBASA-N 2 0 293.455 1.587 10 30 CDEERP C=CCC[NH+]1CC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001276866384 941660411 /nfs/dbraw/zinc/66/04/11/941660411.db2.gz CSZRXHUQQWYGBZ-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCC1 ZINC001280521116 942456512 /nfs/dbraw/zinc/45/65/12/942456512.db2.gz AKJZGYAUVQEYOG-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001280769679 942484302 /nfs/dbraw/zinc/48/43/02/942484302.db2.gz JJIKQBNRGDMZOB-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001281682110 942608258 /nfs/dbraw/zinc/60/82/58/942608258.db2.gz HGMUHGXALVDWRA-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001282230269 942680880 /nfs/dbraw/zinc/68/08/80/942680880.db2.gz OYMOAIRXCYYFTE-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001282498136 942723544 /nfs/dbraw/zinc/72/35/44/942723544.db2.gz VOBDXRAUSWPSKS-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001282833232 942756516 /nfs/dbraw/zinc/75/65/16/942756516.db2.gz KDIIVYAQTYSLSD-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001282956755 942789061 /nfs/dbraw/zinc/78/90/61/942789061.db2.gz BCYIDZSXMVOIGJ-HRCADAONSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001283530894 942925597 /nfs/dbraw/zinc/92/55/97/942925597.db2.gz CEFLGOZDARUEJG-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001283556033 942932621 /nfs/dbraw/zinc/93/26/21/942932621.db2.gz YGSSLHCAZIRBLP-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH+]1CC=C(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001284929479 943290232 /nfs/dbraw/zinc/29/02/32/943290232.db2.gz YDTYZWWYXGMEDT-UHFFFAOYSA-N 2 0 277.412 1.405 10 30 CDEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C(C)C ZINC001264010151 944063159 /nfs/dbraw/zinc/06/31/59/944063159.db2.gz OABRMGIEQRIXQP-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001264400467 944126539 /nfs/dbraw/zinc/12/65/39/944126539.db2.gz ZZOADCJODBDDLV-QLFBSQMISA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001264441151 944138232 /nfs/dbraw/zinc/13/82/32/944138232.db2.gz ZRQPTKYZPHXVNR-WKILWMFISA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001265043339 944213305 /nfs/dbraw/zinc/21/33/05/944213305.db2.gz JFHDTFKWDVBROY-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001265452619 944392707 /nfs/dbraw/zinc/39/27/07/944392707.db2.gz NBAPKVZAFDMGHF-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001265630289 944451782 /nfs/dbraw/zinc/45/17/82/944451782.db2.gz LANWCIZXNYWRQT-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001265783753 944508063 /nfs/dbraw/zinc/50/80/63/944508063.db2.gz PVLWSSWVAOKOFV-HIFRSBDPSA-N 2 0 277.412 1.121 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001265783598 944508071 /nfs/dbraw/zinc/50/80/71/944508071.db2.gz NSNJZSARDMXJLV-GOEBONIOSA-N 2 0 291.439 1.511 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266222206 944769364 /nfs/dbraw/zinc/76/93/64/944769364.db2.gz PRTQVTYYXVBXDV-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001279236762 944786716 /nfs/dbraw/zinc/78/67/16/944786716.db2.gz VPBCASFLAYFKKU-GPANFISMSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCC[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001261282990 946036239 /nfs/dbraw/zinc/03/62/39/946036239.db2.gz ANUBOGDTVMZJJW-OAHLLOKOSA-N 2 0 277.412 1.049 10 30 CDEERP C#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001479627130 971350188 /nfs/dbraw/zinc/35/01/88/971350188.db2.gz RSKAIISIMWBHOL-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001479708631 971376829 /nfs/dbraw/zinc/37/68/29/971376829.db2.gz GPCOTEVDVRHYHR-HIFRSBDPSA-N 2 0 277.412 1.073 10 30 CDEERP C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479789733 971420217 /nfs/dbraw/zinc/42/02/17/971420217.db2.gz CGJALJHLQNUQMR-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001279005774 948561944 /nfs/dbraw/zinc/56/19/44/948561944.db2.gz DWXXSSQKQNJLOG-ZIAGYGMSSA-N 2 0 290.411 1.745 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001278488624 948669084 /nfs/dbraw/zinc/66/90/84/948669084.db2.gz WYRJIHKAIFGCSW-HRCADAONSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH+]1CCC(N(CCC)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001479995141 971525466 /nfs/dbraw/zinc/52/54/66/971525466.db2.gz ICDDLWYMBRNTJU-INIZCTEOSA-N 2 0 293.455 1.663 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480057966 971559118 /nfs/dbraw/zinc/55/91/18/971559118.db2.gz BPOSNOCAGCTCNX-UKRRQHHQSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001480109347 971580735 /nfs/dbraw/zinc/58/07/35/971580735.db2.gz BDSMLVBIWDQRBJ-HOTGVXAUSA-N 2 0 291.439 1.485 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001569092106 1169640895 /nfs/dbraw/zinc/64/08/95/1169640895.db2.gz RWZNKVANJFLBIZ-WDEREUQCSA-N 2 0 261.797 1.173 10 30 CDEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001278693021 951739226 /nfs/dbraw/zinc/73/92/26/951739226.db2.gz DNITZCCZKNEOSR-QGZVFWFLSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001480653678 971826899 /nfs/dbraw/zinc/82/68/99/971826899.db2.gz OHYBFMGSCZMFFE-CQSZACIVSA-N 2 0 298.390 1.880 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001480666069 971830975 /nfs/dbraw/zinc/83/09/75/971830975.db2.gz RJAPAUDFVUZVBW-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001569146267 1169689052 /nfs/dbraw/zinc/68/90/52/1169689052.db2.gz BBNQIGGWVCPDNU-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001324640648 953488168 /nfs/dbraw/zinc/48/81/68/953488168.db2.gz DZVKRIBQNNPWNG-OAHLLOKOSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001569170985 1169701647 /nfs/dbraw/zinc/70/16/47/1169701647.db2.gz WHFIUCOATMKELW-GJZGRUSLSA-N 2 0 291.439 1.533 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001328460026 955301507 /nfs/dbraw/zinc/30/15/07/955301507.db2.gz VTOGNZAUVODXBO-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001491684448 955356873 /nfs/dbraw/zinc/35/68/73/955356873.db2.gz VPVLQFXNDGURMF-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001329164317 955726912 /nfs/dbraw/zinc/72/69/12/955726912.db2.gz CEYMEUDOCOQIGK-UONOGXRCSA-N 2 0 293.455 1.777 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001329803160 956118496 /nfs/dbraw/zinc/11/84/96/956118496.db2.gz PGQBGTPILLQVPC-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001330021635 956237845 /nfs/dbraw/zinc/23/78/45/956237845.db2.gz LGIKYNGHQSTJRG-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001494082792 972171680 /nfs/dbraw/zinc/17/16/80/972171680.db2.gz JAILJOPEKZXGAO-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001422702137 956267142 /nfs/dbraw/zinc/26/71/42/956267142.db2.gz PPZDXXIGERPBMT-RYUDHWBXSA-N 2 0 273.808 1.318 10 30 CDEERP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001330347466 956387937 /nfs/dbraw/zinc/38/79/37/956387937.db2.gz NGRRZRZBABZJKL-PHZGNYQRSA-N 2 0 293.455 1.588 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001330610935 956515281 /nfs/dbraw/zinc/51/52/81/956515281.db2.gz UIVQFXMFWOHUMN-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001317023812 956929386 /nfs/dbraw/zinc/92/93/86/956929386.db2.gz FQTIVEMKZWTXQL-JKSUJKDBSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001316826975 957048795 /nfs/dbraw/zinc/04/87/95/957048795.db2.gz KXWISBJJEWXWFE-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001317034234 957219431 /nfs/dbraw/zinc/21/94/31/957219431.db2.gz LPYCVFMJBRTICO-HZPDHXFCSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317038559 957222430 /nfs/dbraw/zinc/22/24/30/957222430.db2.gz FROWKPLGNJQHSR-MRXNPFEDSA-N 2 0 293.455 1.522 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317247456 957378087 /nfs/dbraw/zinc/37/80/87/957378087.db2.gz QAWYKXFEAMBYIP-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001317256108 957383808 /nfs/dbraw/zinc/38/38/08/957383808.db2.gz RIOQFMYFOFXRRE-ZDUSSCGKSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001317435030 957469815 /nfs/dbraw/zinc/46/98/15/957469815.db2.gz PQVRXURAMRMCFS-OAHLLOKOSA-N 2 0 291.439 1.629 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001317448111 957480889 /nfs/dbraw/zinc/48/08/89/957480889.db2.gz FJIOQDOOGBSFQN-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001317561570 957556636 /nfs/dbraw/zinc/55/66/36/957556636.db2.gz MXMCMIDAZLUZQM-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH+]1CCC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001333004493 958009049 /nfs/dbraw/zinc/00/90/49/958009049.db2.gz KXWQZLPPZKNTBB-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318423206 958098242 /nfs/dbraw/zinc/09/82/42/958098242.db2.gz CZGBPYIQBRWDAM-CYBMUJFWSA-N 2 0 265.401 1.047 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001318802911 958269546 /nfs/dbraw/zinc/26/95/46/958269546.db2.gz CSIAHESGJIBBSI-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001319788125 958725538 /nfs/dbraw/zinc/72/55/38/958725538.db2.gz LSWJKTSMEIWOFT-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001319926544 958793295 /nfs/dbraw/zinc/79/32/95/958793295.db2.gz CGGXNOBDNSKZAY-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001495370782 972482470 /nfs/dbraw/zinc/48/24/70/972482470.db2.gz MHTISAQQYZNFSH-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001323734060 960940379 /nfs/dbraw/zinc/94/03/79/960940379.db2.gz UHXINMXGROGGPY-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001420949168 963379799 /nfs/dbraw/zinc/37/97/99/963379799.db2.gz KSIMORPDQIBATN-AWEZNQCLSA-N 2 0 299.846 1.615 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H](C)CC[NH+](CC)CC)CCC[NH2+]1 ZINC001341948546 963585136 /nfs/dbraw/zinc/58/51/36/963585136.db2.gz AXMCZVQMXYPCBZ-HOCLYGCPSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439791705 963862435 /nfs/dbraw/zinc/86/24/35/963862435.db2.gz XOQAZVJGTSLIQE-KGLIPLIRSA-N 2 0 299.846 1.661 10 30 CDEERP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001346136990 964950129 /nfs/dbraw/zinc/95/01/29/964950129.db2.gz SBUVYCXGQOXYKQ-BRWVUGGUSA-N 2 0 295.471 1.319 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001496144322 972814528 /nfs/dbraw/zinc/81/45/28/972814528.db2.gz HDEZTXZLNDQROI-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001496184365 972831537 /nfs/dbraw/zinc/83/15/37/972831537.db2.gz VDBYTSFOLVXVMO-CQSZACIVSA-N 2 0 289.423 1.984 10 30 CDEERP C#CC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001569654619 1169955862 /nfs/dbraw/zinc/95/58/62/1169955862.db2.gz JTYRIKRLYXMIQY-MRXNPFEDSA-N 2 0 277.412 1.076 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001498199455 973739461 /nfs/dbraw/zinc/73/94/61/973739461.db2.gz ZUFDQSYRQGKUHH-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001375252303 974304322 /nfs/dbraw/zinc/30/43/22/974304322.db2.gz NWZVJXBSFPGRNP-GFCCVEGCSA-N 2 0 273.808 1.175 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001501579185 974602916 /nfs/dbraw/zinc/60/29/16/974602916.db2.gz ZGIYDRQPXBHJQB-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001502135908 974705080 /nfs/dbraw/zinc/70/50/80/974705080.db2.gz UOYDKDVMSSFCAJ-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001502745052 974774725 /nfs/dbraw/zinc/77/47/25/974774725.db2.gz ORVTZISULIWZNW-HOCLYGCPSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001503594741 974826254 /nfs/dbraw/zinc/82/62/54/974826254.db2.gz ZXTNECVUBHYBJL-HOCLYGCPSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001505647054 974949849 /nfs/dbraw/zinc/94/98/49/974949849.db2.gz ZGUTVCCDKYMQHS-KGLIPLIRSA-N 2 0 279.428 1.674 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001507070483 975324844 /nfs/dbraw/zinc/32/48/44/975324844.db2.gz FWUZXQBOMRLVLZ-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001378498078 975366297 /nfs/dbraw/zinc/36/62/97/975366297.db2.gz REEZXLRBGQESAT-KGLIPLIRSA-N 2 0 299.846 1.804 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001656179525 1171785241 /nfs/dbraw/zinc/78/52/41/1171785241.db2.gz XNXDQWNGTIMIKM-IYBDPMFKSA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001656235191 1171797697 /nfs/dbraw/zinc/79/76/97/1171797697.db2.gz QIQODYHHOKDFCF-SHTZXODSSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[C@@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000351579897 361773163 /nfs/dbraw/zinc/77/31/63/361773163.db2.gz LAGMLMGBWMEPOY-AWEZNQCLSA-N 2 0 272.352 1.602 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000594438819 342906186 /nfs/dbraw/zinc/90/61/86/342906186.db2.gz MBBLTEUTCSOOIQ-KKUMJFAQSA-N 2 0 292.427 1.388 10 30 CDEERP C[C@@H](CC[NH2+]C[C@@H](O)CC1(C#N)CC1)[NH+]1CCCCC1 ZINC000600733651 342245929 /nfs/dbraw/zinc/24/59/29/342245929.db2.gz FKQLMAZBLVXOSJ-GJZGRUSLSA-N 2 0 279.428 1.895 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000594425489 342904372 /nfs/dbraw/zinc/90/43/72/342904372.db2.gz KKAQFIIUXGQYIX-FRRDWIJNSA-N 2 0 266.389 1.031 10 30 CDEERP CN(CC#CC[NH+]1CCCC1)C(=O)CCCCC[NH3+] ZINC000027857637 346052980 /nfs/dbraw/zinc/05/29/80/346052980.db2.gz CKVPQNZUOBHAGZ-UHFFFAOYSA-N 2 0 265.401 1.063 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001660476563 1172219411 /nfs/dbraw/zinc/21/94/11/1172219411.db2.gz WBPHUFCRDJTBGH-JKSUJKDBSA-N 2 0 293.455 1.709 10 30 CDEERP CC[NH+](CC#CC[N@@H+](CC)CC(C)(C)O)CC(C)(C)O ZINC000351473692 361691830 /nfs/dbraw/zinc/69/18/30/361691830.db2.gz VXSIAYATMJJZMX-UHFFFAOYSA-N 2 0 284.444 1.175 10 30 CDEERP C=CCC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001662861545 1172605996 /nfs/dbraw/zinc/60/59/96/1172605996.db2.gz BJBVGIACICYWAN-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[N@H+](C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001663313168 1172670177 /nfs/dbraw/zinc/67/01/77/1172670177.db2.gz MCPFZEWPPDSUJL-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001663547312 1172721568 /nfs/dbraw/zinc/72/15/68/1172721568.db2.gz CXGYWASUFCDNEN-OAHLLOKOSA-N 2 0 277.412 1.076 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)CCC=C ZINC001663988791 1172798111 /nfs/dbraw/zinc/79/81/11/1172798111.db2.gz MIQHFASGYMELSM-HOTGVXAUSA-N 2 0 291.439 1.487 10 30 CDEERP C=CC[C@@]1(C(=O)NCC(C)(C)[NH+](C)C)CCC[NH2+]1 ZINC000662662613 413270113 /nfs/dbraw/zinc/27/01/13/413270113.db2.gz IDXMKPZSZZAAJP-AWEZNQCLSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[C@]1(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000662684170 413305672 /nfs/dbraw/zinc/30/56/72/413305672.db2.gz BCFXYVUTWOQGBK-GOEBONIOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC[NH2+]1 ZINC000662792842 413508595 /nfs/dbraw/zinc/50/85/95/413508595.db2.gz HWGNHVXWOFRFNL-IJEWVQPXSA-N 2 0 277.412 1.380 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC[NH2+]1 ZINC000662792845 413509413 /nfs/dbraw/zinc/50/94/13/413509413.db2.gz HWGNHVXWOFRFNL-YCPHGPKFSA-N 2 0 277.412 1.380 10 30 CDEERP CC[N@H+](Cc1sccc1C#CC[NH3+])[C@@H](C)COC ZINC000043684257 175093225 /nfs/dbraw/zinc/09/32/25/175093225.db2.gz SOVMAQLICOOZBS-LBPRGKRZSA-N 2 0 266.410 1.915 10 30 CDEERP CN(Cc1ccc(F)c(C#CC[NH3+])c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190484 176067055 /nfs/dbraw/zinc/06/70/55/176067055.db2.gz QRMQYBRRIRPGFV-OAHLLOKOSA-N 2 0 289.398 1.519 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001667494123 1173275093 /nfs/dbraw/zinc/27/50/93/1173275093.db2.gz RXCHJQDOIPTUMS-OLZOCXBDSA-N 2 0 255.406 1.243 10 30 CDEERP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001672319908 1173764949 /nfs/dbraw/zinc/76/49/49/1173764949.db2.gz BKXVMXGPQMXKKW-UONOGXRCSA-N 2 0 267.417 1.198 10 30 CDEERP N#C[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000185781298 329331717 /nfs/dbraw/zinc/33/17/17/329331717.db2.gz CGZODFJDADUJGM-GJZGRUSLSA-N 2 0 265.401 1.771 10 30 CDEERP C=CC[C@H](CO)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423030641 330166147 /nfs/dbraw/zinc/16/61/47/330166147.db2.gz CBRVLOQOEATTMO-UKPHBRMFSA-N 2 0 288.391 1.769 10 30 CDEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001691823729 1160162694 /nfs/dbraw/zinc/16/26/94/1160162694.db2.gz DEOZENIAGHMENL-OWCLPIDISA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)CCC ZINC001732631218 1160160095 /nfs/dbraw/zinc/16/00/95/1160160095.db2.gz RCEDBXMIMULQKI-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)[C@H](CO)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000677480851 482683493 /nfs/dbraw/zinc/68/34/93/482683493.db2.gz WAOBULQTWDDLKD-INIZCTEOSA-N 2 0 282.428 1.500 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001483419080 1160919395 /nfs/dbraw/zinc/91/93/95/1160919395.db2.gz BFTRUHCEZMIOFD-AWEZNQCLSA-N 2 0 287.407 1.432 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001715709153 1179770868 /nfs/dbraw/zinc/77/08/68/1179770868.db2.gz UPJYLPXARVGFQE-ZDUSSCGKSA-N 2 0 253.390 1.143 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001716482950 1180244545 /nfs/dbraw/zinc/24/45/45/1180244545.db2.gz VKFYTACQJYQUIA-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)CCC)C1 ZINC001732185406 1182840402 /nfs/dbraw/zinc/84/04/02/1182840402.db2.gz MYOFSEIXNJOYIA-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH+](CC=C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052376558 518770705 /nfs/dbraw/zinc/77/07/05/518770705.db2.gz FUIQBNBEOBZZSB-UHFFFAOYSA-N 2 0 277.416 1.698 10 30 CDEERP COCC[NH+](CCOC)Cc1ccccc1C#CC[NH3+] ZINC000049609863 523719309 /nfs/dbraw/zinc/71/93/09/523719309.db2.gz SJZLKFULICNCLK-UHFFFAOYSA-N 2 0 276.380 1.092 10 30 CDEERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC#CC[NH+](C)C)C[C@H]1C ZINC001684869865 1174663929 /nfs/dbraw/zinc/66/39/29/1174663929.db2.gz QNOVIXYAHRUVAF-CABCVRRESA-N 2 0 294.443 1.066 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001688893957 1175056261 /nfs/dbraw/zinc/05/62/61/1175056261.db2.gz OBIFEMIPXGOGQM-MRXNPFEDSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001689965473 1175326200 /nfs/dbraw/zinc/32/62/00/1175326200.db2.gz UMEKIIMNONILGG-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900607351 623288842 /nfs/dbraw/zinc/28/88/42/623288842.db2.gz BHVDCYSKMNALHZ-ZIAGYGMSSA-N 2 0 290.411 1.107 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000900628420 623314366 /nfs/dbraw/zinc/31/43/66/623314366.db2.gz YYSCIBPEHYOWJU-AWEZNQCLSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000900726163 623411503 /nfs/dbraw/zinc/41/15/03/623411503.db2.gz SJXNLUXIENGUFZ-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000900731909 623427065 /nfs/dbraw/zinc/42/70/65/623427065.db2.gz QLRKWWDIAXRHGU-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000900888215 623609418 /nfs/dbraw/zinc/60/94/18/623609418.db2.gz VHJMDNOCIOOPEK-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000901308687 624105347 /nfs/dbraw/zinc/10/53/47/624105347.db2.gz RKUPXCVZNBZHOM-STQMWFEESA-N 2 0 253.390 1.045 10 30 CDEERP C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)C1=O ZINC000903810721 626100826 /nfs/dbraw/zinc/10/08/26/626100826.db2.gz GAVYTSXMVKQYIT-LSDHHAIUSA-N 2 0 291.439 1.757 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000911582493 629340165 /nfs/dbraw/zinc/34/01/65/629340165.db2.gz SIIMHRLMOPHWES-OKILXGFUSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000917097832 632148560 /nfs/dbraw/zinc/14/85/60/632148560.db2.gz KLZQDGXJGISNCJ-DZGCQCFKSA-N 2 0 294.443 1.419 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001266626667 1158704959 /nfs/dbraw/zinc/70/49/59/1158704959.db2.gz SKAFTWFMDHJGGQ-FPCVCCKLSA-N 2 0 289.423 1.263 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001691198063 1158952351 /nfs/dbraw/zinc/95/23/51/1158952351.db2.gz FQNCPLOMQPCPAQ-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001691410065 1159059147 /nfs/dbraw/zinc/05/91/47/1159059147.db2.gz LDFNYWVOWSKWIA-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001670521706 1158628959 /nfs/dbraw/zinc/62/89/59/1158628959.db2.gz AWLMSOHLGJGEDN-GDBMZVCRSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001691198577 1158952615 /nfs/dbraw/zinc/95/26/15/1158952615.db2.gz ZGYLWRUMYMODQK-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1cncn1C ZINC001691414139 1159060460 /nfs/dbraw/zinc/06/04/60/1159060460.db2.gz ZQQKFTIAYYLCSD-AWEZNQCLSA-N 2 0 276.384 1.071 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001725111868 1159106698 /nfs/dbraw/zinc/10/66/98/1159106698.db2.gz RYAMYOKQMOQJPE-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001691482089 1159376708 /nfs/dbraw/zinc/37/67/08/1159376708.db2.gz ZKRVOTSRVZAZCD-TUVASFSCSA-N 2 0 279.428 1.530 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732366259 1159786883 /nfs/dbraw/zinc/78/68/83/1159786883.db2.gz VWLTTXKTTPSLBB-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001271678843 1160347572 /nfs/dbraw/zinc/34/75/72/1160347572.db2.gz UAOGOCQYVKOBHQ-GJZGRUSLSA-N 2 0 291.439 1.485 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000876716686 1165899088 /nfs/dbraw/zinc/89/90/88/1165899088.db2.gz KCTLQJRGGRXEDH-RYUDHWBXSA-N 2 0 275.824 1.549 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000876726921 1165903561 /nfs/dbraw/zinc/90/35/61/1165903561.db2.gz BSMSUURITGOWSS-CMPLNLGQSA-N 2 0 271.792 1.057 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+](CC)CCC ZINC000876777994 1165914354 /nfs/dbraw/zinc/91/43/54/1165914354.db2.gz WEOCJQLCLSIYBW-LLVKDONJSA-N 2 0 261.797 1.304 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000876794452 1165917557 /nfs/dbraw/zinc/91/75/57/1165917557.db2.gz WDRYYIQQSBQMHK-CMPLNLGQSA-N 2 0 294.786 1.306 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000876854402 1165927599 /nfs/dbraw/zinc/92/75/99/1165927599.db2.gz SHQLAOFWCVHPJU-QWHCGFSZSA-N 2 0 285.819 1.304 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@@H+](C)CC(C)C ZINC000876944805 1165945797 /nfs/dbraw/zinc/94/57/97/1165945797.db2.gz UFFVRNVKXDNQBD-GFCCVEGCSA-N 2 0 275.824 1.550 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000876950618 1165947050 /nfs/dbraw/zinc/94/70/50/1165947050.db2.gz QXNHMACVHINTFC-LLVKDONJSA-N 2 0 259.781 1.044 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000876967322 1165950697 /nfs/dbraw/zinc/95/06/97/1165950697.db2.gz FBUVVPIEUZGDBS-OCCSQVGLSA-N 2 0 299.846 1.980 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001628376368 1166067892 /nfs/dbraw/zinc/06/78/92/1166067892.db2.gz VJWYGFBNRGXEGQ-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001567899040 1169047855 /nfs/dbraw/zinc/04/78/55/1169047855.db2.gz DERLFWZOCQRKAY-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001568207560 1169178449 /nfs/dbraw/zinc/17/84/49/1169178449.db2.gz CFPGRJNLBCLDNF-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001569327023 1169767582 /nfs/dbraw/zinc/76/75/82/1169767582.db2.gz FIMHDSBNPXXPJP-GJZGRUSLSA-N 2 0 281.444 1.633 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001569821833 1170006299 /nfs/dbraw/zinc/00/62/99/1170006299.db2.gz SXENSCDFGOTAIW-LSDHHAIUSA-N 2 0 293.455 1.424 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001570177713 1170102953 /nfs/dbraw/zinc/10/29/53/1170102953.db2.gz QQCWCFBHNMABCQ-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001571350385 1170378717 /nfs/dbraw/zinc/37/87/17/1170378717.db2.gz CKUYELPLLGXXQF-ZIAGYGMSSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571388046 1170403462 /nfs/dbraw/zinc/40/34/62/1170403462.db2.gz IGTGGRVDOHGWRH-RRFJBIMHSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001650379055 1171002286 /nfs/dbraw/zinc/00/22/86/1171002286.db2.gz KMWIGLRUSAXETD-WCQYABFASA-N 2 0 293.798 1.936 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001661143659 1172343118 /nfs/dbraw/zinc/34/31/18/1172343118.db2.gz ZEBKEBNXEIAFQW-INIZCTEOSA-N 2 0 296.374 1.374 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001666914531 1173208155 /nfs/dbraw/zinc/20/81/55/1173208155.db2.gz VKXBKEZMGXSPOV-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC1 ZINC001673230499 1173837365 /nfs/dbraw/zinc/83/73/65/1173837365.db2.gz TVHGWZOKTTWUHK-AWEZNQCLSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001673331196 1173845935 /nfs/dbraw/zinc/84/59/35/1173845935.db2.gz BBNRPKGENQBNNL-OAHLLOKOSA-N 2 0 297.443 1.111 10 30 CDEERP CC#CC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001675354827 1174106467 /nfs/dbraw/zinc/10/64/67/1174106467.db2.gz YSBFXEHRXQCWMB-HNNXBMFYSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001675807051 1174151579 /nfs/dbraw/zinc/15/15/79/1174151579.db2.gz HDWAIGFWGZAQCI-WKILWMFISA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001677263351 1174341832 /nfs/dbraw/zinc/34/18/32/1174341832.db2.gz PNHAIEUOXDTQIN-KBPBESRZSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001690755489 1175565612 /nfs/dbraw/zinc/56/56/12/1175565612.db2.gz HKPPJHPXGNYTLO-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691797964 1175628461 /nfs/dbraw/zinc/62/84/61/1175628461.db2.gz QKCUYFMILVWCTJ-SHTZXODSSA-N 2 0 289.423 1.123 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CC2CC2)CC1 ZINC001698619206 1175874414 /nfs/dbraw/zinc/87/44/14/1175874414.db2.gz NNPJZKRXBQKEOE-INIZCTEOSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001698860444 1175967371 /nfs/dbraw/zinc/96/73/71/1175967371.db2.gz OMFCEUCXAYTSHN-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001699433509 1176394471 /nfs/dbraw/zinc/39/44/71/1176394471.db2.gz SPKCOTWEGGPPNR-AWEZNQCLSA-N 2 0 287.407 1.479 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699554858 1176473765 /nfs/dbraw/zinc/47/37/65/1176473765.db2.gz ZQUQDUAIDPPPGO-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001699683242 1176567339 /nfs/dbraw/zinc/56/73/39/1176567339.db2.gz ZOMRDRLBMSTPFJ-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001699773773 1176615231 /nfs/dbraw/zinc/61/52/31/1176615231.db2.gz FJTDLINJCNEJFT-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001700088276 1176744233 /nfs/dbraw/zinc/74/42/33/1176744233.db2.gz RXDIJANGBIJKKH-CVEARBPZSA-N 2 0 293.455 1.424 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001700124739 1176757453 /nfs/dbraw/zinc/75/74/53/1176757453.db2.gz HMZAXLAPWASFKY-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001700127182 1176759305 /nfs/dbraw/zinc/75/93/05/1176759305.db2.gz OBHZXMBSVHBHLM-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001700276317 1176828507 /nfs/dbraw/zinc/82/85/07/1176828507.db2.gz WSGOQOXRDZCZQU-KBPBESRZSA-N 2 0 277.412 1.095 10 30 CDEERP C=CCCC[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001700282394 1176831262 /nfs/dbraw/zinc/83/12/62/1176831262.db2.gz QGAGXCPCLUJMHH-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001700313358 1176843355 /nfs/dbraw/zinc/84/33/55/1176843355.db2.gz HZESIZIILXOWHB-KBPBESRZSA-N 2 0 277.412 1.073 10 30 CDEERP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001700623468 1177040807 /nfs/dbraw/zinc/04/08/07/1177040807.db2.gz IIFDOMSTZAMGBW-CALCHBBNSA-N 2 0 293.455 1.685 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001700752692 1177113387 /nfs/dbraw/zinc/11/33/87/1177113387.db2.gz PTAXOOOYIJUCJE-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001700869556 1177171649 /nfs/dbraw/zinc/17/16/49/1177171649.db2.gz VIJUFRJCCAZFKX-GDBMZVCRSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001700888926 1177180359 /nfs/dbraw/zinc/18/03/59/1177180359.db2.gz RPGLOKREWZBCNK-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001707422058 1178036351 /nfs/dbraw/zinc/03/63/51/1178036351.db2.gz JJEIRDOBUFMXER-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713175324 1178413813 /nfs/dbraw/zinc/41/38/13/1178413813.db2.gz YQZDDHMDUJIZAO-MGPQQGTHSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713754906 1178739909 /nfs/dbraw/zinc/73/99/09/1178739909.db2.gz QOCHZUZEENIPLA-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001714008813 1178924738 /nfs/dbraw/zinc/92/47/38/1178924738.db2.gz ZGQLLCRPRUETJV-HZSPNIEDSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001714040664 1178941769 /nfs/dbraw/zinc/94/17/69/1178941769.db2.gz AYMUDUXHAXJGEK-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)CCC)CCCC[C@@H]1C ZINC001714189014 1179008460 /nfs/dbraw/zinc/00/84/60/1179008460.db2.gz ZOXOYMXMLZNHDT-RDJZCZTQSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCC1 ZINC001714509120 1179177109 /nfs/dbraw/zinc/17/71/09/1179177109.db2.gz DPEYTEJROZLOAS-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001714732398 1179364297 /nfs/dbraw/zinc/36/42/97/1179364297.db2.gz XHUSPWBPIZEQEY-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001715370004 1179646172 /nfs/dbraw/zinc/64/61/72/1179646172.db2.gz PHWTYENLJJKEPP-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001715386132 1179652381 /nfs/dbraw/zinc/65/23/81/1179652381.db2.gz MEDKJEZYOVRJPC-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001715576992 1179722505 /nfs/dbraw/zinc/72/25/05/1179722505.db2.gz NOKCYNUKRNKUDS-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001715722480 1179778956 /nfs/dbraw/zinc/77/89/56/1179778956.db2.gz HTTORISSWUQXHA-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001716067084 1180028697 /nfs/dbraw/zinc/02/86/97/1180028697.db2.gz KZSUMXJBPSXTFW-JKSUJKDBSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716235894 1180113523 /nfs/dbraw/zinc/11/35/23/1180113523.db2.gz VPDPQIRSWYQDMT-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001716344153 1180162861 /nfs/dbraw/zinc/16/28/61/1180162861.db2.gz QQXANBTXGYYSGW-HJWRWDBZSA-N 2 0 279.428 1.250 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001716572158 1180289560 /nfs/dbraw/zinc/28/95/60/1180289560.db2.gz CPKNBYFHFWIITA-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001716848825 1180438088 /nfs/dbraw/zinc/43/80/88/1180438088.db2.gz LLTMSIGSTFPPCY-KRWDZBQOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717097763 1180530190 /nfs/dbraw/zinc/53/01/90/1180530190.db2.gz SPQXQZAREHIXAK-CQSZACIVSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001717478003 1180695970 /nfs/dbraw/zinc/69/59/70/1180695970.db2.gz JKMPPQBNMIIQSO-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001717811174 1180870036 /nfs/dbraw/zinc/87/00/36/1180870036.db2.gz BVKHURSRSAYIOO-KGLIPLIRSA-N 2 0 277.412 1.073 10 30 CDEERP C#CCC[NH+]1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001718003762 1180965863 /nfs/dbraw/zinc/96/58/63/1180965863.db2.gz PINWZCSVXZPLQU-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1CC ZINC001723388709 1181546300 /nfs/dbraw/zinc/54/63/00/1181546300.db2.gz GIXMRYVIYVXHMC-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001724727720 1181733943 /nfs/dbraw/zinc/73/39/43/1181733943.db2.gz PHAGGBCAHASZSM-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001724861329 1181779648 /nfs/dbraw/zinc/77/96/48/1181779648.db2.gz SPPCIWHYSGEMAP-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCCC)CC1 ZINC001725129915 1181876172 /nfs/dbraw/zinc/87/61/72/1181876172.db2.gz PNVDHYSUGHCXFU-GJZGRUSLSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001725129326 1181876280 /nfs/dbraw/zinc/87/62/80/1181876280.db2.gz OSIPVEYFDRPFON-CVEARBPZSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001725353564 1181970103 /nfs/dbraw/zinc/97/01/03/1181970103.db2.gz PIXHLNWSLBUGMC-JYJNAYRXSA-N 2 0 293.455 1.920 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001725451175 1182005695 /nfs/dbraw/zinc/00/56/95/1182005695.db2.gz CWVCBHQETQIZDC-HOTGVXAUSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001725664035 1182090763 /nfs/dbraw/zinc/09/07/63/1182090763.db2.gz UGWJMCYQNMAOGJ-GJZGRUSLSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001725687841 1182097429 /nfs/dbraw/zinc/09/74/29/1182097429.db2.gz ZZMWWISZIAASTI-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001725828840 1182143048 /nfs/dbraw/zinc/14/30/48/1182143048.db2.gz QJFCTUQEJFTELO-UHFFFAOYSA-N 2 0 279.428 1.653 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001731293644 1182298375 /nfs/dbraw/zinc/29/83/75/1182298375.db2.gz BWMRXWFMVDKDFP-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001731319305 1182315583 /nfs/dbraw/zinc/31/55/83/1182315583.db2.gz JDEMWLSUFMAFGB-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C#CCC[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001732016496 1182726139 /nfs/dbraw/zinc/72/61/39/1182726139.db2.gz QRFRYIWYWIOMRG-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001732255867 1182886146 /nfs/dbraw/zinc/88/61/46/1182886146.db2.gz GEDNZRYHRVHUFR-NVXWUHKLSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732436839 1182964777 /nfs/dbraw/zinc/96/47/77/1182964777.db2.gz JQYVFFBAUSKSJS-CZUORRHYSA-N 2 0 299.434 1.821 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC(C)C)CC1 ZINC001733067862 1183274704 /nfs/dbraw/zinc/27/47/04/1183274704.db2.gz RSTWQCVCPQGRKS-OAHLLOKOSA-N 2 0 293.455 1.424 10 30 CDEERP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001733476743 1183443129 /nfs/dbraw/zinc/44/31/29/1183443129.db2.gz KWGZKTAITOBTOK-LBPRGKRZSA-N 2 0 289.370 1.198 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001733690422 1183498165 /nfs/dbraw/zinc/49/81/65/1183498165.db2.gz QAGJGYMKKYYEGW-BZUAXINKSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001733930938 1183571459 /nfs/dbraw/zinc/57/14/59/1183571459.db2.gz ZULNISCQQPOJSI-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001734095400 1183655995 /nfs/dbraw/zinc/65/59/95/1183655995.db2.gz ZCVMBQFATLSWPN-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001734429547 1183776009 /nfs/dbraw/zinc/77/60/09/1183776009.db2.gz UDKRKIHZLRTVNC-CABCVRRESA-N 2 0 291.439 1.627 10 30 CDEERP C#CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001734439273 1183779060 /nfs/dbraw/zinc/77/90/60/1183779060.db2.gz KCVHXOPMAXHFGT-ZBFHGGJFSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001567192868 1168048304 /nfs/dbraw/zinc/04/83/04/1168048304.db2.gz IYMJZWLLTJLPPW-MRXNPFEDSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001567235677 1168633126 /nfs/dbraw/zinc/63/31/26/1168633126.db2.gz OTYWVVHVOVQRJD-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001567281571 1168657110 /nfs/dbraw/zinc/65/71/10/1168657110.db2.gz QAJHZHMZSLFYRV-CYBMUJFWSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001272543534 913404685 /nfs/dbraw/zinc/40/46/85/913404685.db2.gz FYLRKBUZOQVNPY-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266293180 894197659 /nfs/dbraw/zinc/19/76/59/894197659.db2.gz MLBGFSYJAPAABE-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480879767 895139311 /nfs/dbraw/zinc/13/93/11/895139311.db2.gz PULSWZXLXUTESI-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001266632909 895634664 /nfs/dbraw/zinc/63/46/64/895634664.db2.gz VXPBMZLGBHAZOH-ULQDDVLXSA-N 2 0 299.418 1.549 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001266793113 896057706 /nfs/dbraw/zinc/05/77/06/896057706.db2.gz HCUHOMUXRKYOKK-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001266879586 896270728 /nfs/dbraw/zinc/27/07/28/896270728.db2.gz ALHBCEJMZPNNBX-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267088419 896739305 /nfs/dbraw/zinc/73/93/05/896739305.db2.gz ZRXFALZFAKANMO-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001267130063 896881545 /nfs/dbraw/zinc/88/15/45/896881545.db2.gz CEDOTKDMHNXWSO-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001567591165 1168875368 /nfs/dbraw/zinc/87/53/68/1168875368.db2.gz ZIZGXHUOAOTSSR-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC2CCC2)CC1 ZINC001267474698 898097877 /nfs/dbraw/zinc/09/78/77/898097877.db2.gz SLGTVUHOVUKQOX-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267486206 898137104 /nfs/dbraw/zinc/13/71/04/898137104.db2.gz ZEPFNULZICVBKG-SQWLQELKSA-N 2 0 291.439 1.177 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001267596272 898651069 /nfs/dbraw/zinc/65/10/69/898651069.db2.gz LTFDKKSCXSQLMF-INIZCTEOSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)C[C@H](C)n2ccnc2)C1 ZINC001267790139 899733323 /nfs/dbraw/zinc/73/33/23/899733323.db2.gz KWPXUYXPRNTULP-GJZGRUSLSA-N 2 0 290.411 1.943 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267791105 899737061 /nfs/dbraw/zinc/73/70/61/899737061.db2.gz RRQBPBQYIJIENQ-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001267857800 899883903 /nfs/dbraw/zinc/88/39/03/899883903.db2.gz HVMWMRUBICDZGH-ZQIUZPCESA-N 2 0 291.439 1.224 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001481333793 900437143 /nfs/dbraw/zinc/43/71/43/900437143.db2.gz GKIRHRYODHLEEB-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001481488173 900903013 /nfs/dbraw/zinc/90/30/13/900903013.db2.gz PCGVSZYOJLTGAO-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268241088 901650433 /nfs/dbraw/zinc/65/04/33/901650433.db2.gz VKSCJWRZKCRQNF-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001481868411 902246980 /nfs/dbraw/zinc/24/69/80/902246980.db2.gz FTGBRGYXSCCZMG-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001481988564 902440616 /nfs/dbraw/zinc/44/06/16/902440616.db2.gz DZPBXVUTZXQURC-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001268689435 902970712 /nfs/dbraw/zinc/97/07/12/902970712.db2.gz XIIFFTANLZNVCS-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CC ZINC001269173565 903505034 /nfs/dbraw/zinc/50/50/34/903505034.db2.gz AZCIAORUXSCZRB-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001269331081 903700251 /nfs/dbraw/zinc/70/02/51/903700251.db2.gz HXWBHVZVMNIMJH-AWEZNQCLSA-N 2 0 277.412 1.239 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001269333407 903706240 /nfs/dbraw/zinc/70/62/40/903706240.db2.gz WOCYONBYACUHFP-MRXNPFEDSA-N 2 0 291.439 1.417 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001269516349 903887402 /nfs/dbraw/zinc/88/74/02/903887402.db2.gz NRTDJYIMAXDALY-MRXNPFEDSA-N 2 0 287.407 1.479 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001270166187 904411143 /nfs/dbraw/zinc/41/11/43/904411143.db2.gz TZGJWPPIDNDSNF-ZIAGYGMSSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001482684650 908279456 /nfs/dbraw/zinc/27/94/56/908279456.db2.gz QBVADBGZEVNOFU-LSDHHAIUSA-N 2 0 289.423 1.123 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001272097954 908386540 /nfs/dbraw/zinc/38/65/40/908386540.db2.gz LHQOWVUZTJFRBI-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001567961665 1169095931 /nfs/dbraw/zinc/09/59/31/1169095931.db2.gz JVEFQKHNHZKIRE-QLFBSQMISA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483056198 909184054 /nfs/dbraw/zinc/18/40/54/909184054.db2.gz GIDLONJYDIISOA-WBTMPAOCSA-N 2 0 267.417 1.411 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001483166421 909896953 /nfs/dbraw/zinc/89/69/53/909896953.db2.gz IIJFJDNJXWDWSG-GFCCVEGCSA-N 2 0 255.406 1.245 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483348080 910943757 /nfs/dbraw/zinc/94/37/57/910943757.db2.gz RYHPZRHGJADBGD-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001483384905 911039230 /nfs/dbraw/zinc/03/92/30/911039230.db2.gz SRGASQDIUIQLKX-AWEZNQCLSA-N 2 0 283.460 1.977 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001485071997 916469236 /nfs/dbraw/zinc/46/92/36/916469236.db2.gz ZUFWUSMKLOQVRK-MRXNPFEDSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]C(C)C)CC1 ZINC001485230243 916683527 /nfs/dbraw/zinc/68/35/27/916683527.db2.gz RMXHJBYHMLLKIK-KGLIPLIRSA-N 2 0 279.428 1.223 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001568207546 1169177814 /nfs/dbraw/zinc/17/78/14/1169177814.db2.gz BXBVEQRRXNLLMK-HZPDHXFCSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001485692656 917193216 /nfs/dbraw/zinc/19/32/16/917193216.db2.gz LGXAMMGLXOJLQQ-BZUAXINKSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485955443 920594906 /nfs/dbraw/zinc/59/49/06/920594906.db2.gz MJRJJKNEVDZLBV-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486084381 920685643 /nfs/dbraw/zinc/68/56/43/920685643.db2.gz JQPQBYOJWAERJC-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C(C)(C)C ZINC001486399255 920962722 /nfs/dbraw/zinc/96/27/22/920962722.db2.gz RRCFHMIVHUKYEN-AWEZNQCLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001491004022 936841042 /nfs/dbraw/zinc/84/10/42/936841042.db2.gz ZERFNPJGFMQVFL-HZSPNIEDSA-N 2 0 265.401 1.284 10 30 CDEERP C#Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000843431544 923579827 /nfs/dbraw/zinc/57/98/27/923579827.db2.gz HBCHMYAETRLXMN-UHFFFAOYSA-N 2 0 284.403 1.965 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001491116842 936860109 /nfs/dbraw/zinc/86/01/09/936860109.db2.gz BTIDPKLMQNFPNQ-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CCCF)CC1 ZINC001273766080 925418475 /nfs/dbraw/zinc/41/84/75/925418475.db2.gz WUPUZXCCQOZSTL-UHFFFAOYSA-N 2 0 297.418 1.129 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001273796007 925919679 /nfs/dbraw/zinc/91/96/79/925919679.db2.gz SPZXPGRNPDSCHE-HNNXBMFYSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001488805826 926699665 /nfs/dbraw/zinc/69/96/65/926699665.db2.gz WAQTWCHNWFRCSA-XHSDSOJGSA-N 2 0 291.439 1.224 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1CC ZINC001489140989 926811956 /nfs/dbraw/zinc/81/19/56/926811956.db2.gz NOBYLBZXQNYLAS-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001568463326 1169299584 /nfs/dbraw/zinc/29/95/84/1169299584.db2.gz ZEMBXVHMOUADTI-AWEZNQCLSA-N 2 0 281.444 1.328 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490729812 927337983 /nfs/dbraw/zinc/33/79/83/927337983.db2.gz XUWYXPCQUJLWRP-TZMCWYRMSA-N 2 0 299.846 1.565 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000852898530 927913481 /nfs/dbraw/zinc/91/34/81/927913481.db2.gz RXQZTEYLNZGVNU-JKSUJKDBSA-N 2 0 289.423 1.123 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)CN(C)Cc1ccccc1 ZINC001274631821 931526043 /nfs/dbraw/zinc/52/60/43/931526043.db2.gz MLNJNURDEWUXNQ-BQYQJAHWSA-N 2 0 285.391 1.014 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001275114976 931668702 /nfs/dbraw/zinc/66/87/02/931668702.db2.gz MMUXXERNTZRSJX-OAHLLOKOSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001493006302 931712854 /nfs/dbraw/zinc/71/28/54/931712854.db2.gz FPQAYSYPYPNCDM-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001276468903 939767538 /nfs/dbraw/zinc/76/75/38/939767538.db2.gz OCDZTHHNUZQRMC-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001281767838 942619823 /nfs/dbraw/zinc/61/98/23/942619823.db2.gz DGDPJDUARQGVOL-HNNXBMFYSA-N 2 0 279.428 1.370 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001281893377 942628250 /nfs/dbraw/zinc/62/82/50/942628250.db2.gz QTDXZNQUWGZQIH-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001281928083 942631490 /nfs/dbraw/zinc/63/14/90/942631490.db2.gz IXCQPEUHDYMRCU-LSDHHAIUSA-N 2 0 277.412 1.027 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001282140354 942668186 /nfs/dbraw/zinc/66/81/86/942668186.db2.gz ILYACMIYLITMHJ-QWHCGFSZSA-N 2 0 267.417 1.530 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001282243175 942683462 /nfs/dbraw/zinc/68/34/62/942683462.db2.gz VALWTKRZZZRHPK-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001282456000 942716491 /nfs/dbraw/zinc/71/64/91/942716491.db2.gz VMBYQYYQKGSLEH-ZIAGYGMSSA-N 2 0 269.433 1.585 10 30 CDEERP C=CC[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001283260553 942868141 /nfs/dbraw/zinc/86/81/41/942868141.db2.gz OCORGDZRRNTXSF-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001284248139 943131617 /nfs/dbraw/zinc/13/16/17/943131617.db2.gz SXPRBGQEDFMYRX-KGLIPLIRSA-N 2 0 267.417 1.387 10 30 CDEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001277684225 943331561 /nfs/dbraw/zinc/33/15/61/943331561.db2.gz FIWWLKOIYBVNMU-OAHLLOKOSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001263849871 944001992 /nfs/dbraw/zinc/00/19/92/944001992.db2.gz ZWZWRVLPXBJXSO-SOUVJXGZSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001277954343 944209270 /nfs/dbraw/zinc/20/92/70/944209270.db2.gz PBKJJTZOSISXQG-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265288271 944324503 /nfs/dbraw/zinc/32/45/03/944324503.db2.gz QJJMFBYPHBIGHI-CYBMUJFWSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001265292957 944328124 /nfs/dbraw/zinc/32/81/24/944328124.db2.gz SSCAHNIAUXRSAV-HNNXBMFYSA-N 2 0 291.439 1.772 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001265358864 944358857 /nfs/dbraw/zinc/35/88/57/944358857.db2.gz RRCYOVHARKZJHZ-AWEZNQCLSA-N 2 0 265.401 1.141 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001265491762 944407706 /nfs/dbraw/zinc/40/77/06/944407706.db2.gz BXBMLAZOZRRDTH-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265629640 944451871 /nfs/dbraw/zinc/45/18/71/944451871.db2.gz DBUAGFNVDJRORQ-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001277981651 944471328 /nfs/dbraw/zinc/47/13/28/944471328.db2.gz OBTUBKQRRHNPEA-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001278326403 946191149 /nfs/dbraw/zinc/19/11/49/946191149.db2.gz QEKQOWJUUAUWEU-UONOGXRCSA-N 2 0 267.417 1.482 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001262557123 946705568 /nfs/dbraw/zinc/70/55/68/946705568.db2.gz OWZXTMUNSHUFMP-CQSZACIVSA-N 2 0 295.427 1.041 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001278988334 948502562 /nfs/dbraw/zinc/50/25/62/948502562.db2.gz DHOUDQVIKVATBW-ZIAGYGMSSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001480109348 971579659 /nfs/dbraw/zinc/57/96/59/971579659.db2.gz BDSMLVBIWDQRBJ-JKSUJKDBSA-N 2 0 291.439 1.485 10 30 CDEERP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001325773399 954067716 /nfs/dbraw/zinc/06/77/16/954067716.db2.gz ZBFHBRHKJZTWNQ-IYBDPMFKSA-N 2 0 293.455 1.685 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001569172830 1169701982 /nfs/dbraw/zinc/70/19/82/1169701982.db2.gz ACLBSOISXBIEPF-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[N@@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CC1 ZINC001493442921 972052603 /nfs/dbraw/zinc/05/26/03/972052603.db2.gz JOVNBOXVAZAZMM-KRWDZBQOSA-N 2 0 289.423 1.076 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001491732903 955397865 /nfs/dbraw/zinc/39/78/65/955397865.db2.gz RASWTLXPZYMBML-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491882659 955490248 /nfs/dbraw/zinc/49/02/48/955490248.db2.gz PKJOOKNUIKCSFD-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491882656 955490802 /nfs/dbraw/zinc/49/08/02/955490802.db2.gz PKJOOKNUIKCSFD-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001422259901 955899815 /nfs/dbraw/zinc/89/98/15/955899815.db2.gz HRFDWAXJVNXFQZ-OLZOCXBDSA-N 2 0 287.835 1.565 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001317322780 956114740 /nfs/dbraw/zinc/11/47/40/956114740.db2.gz NGNLUCQVAVAEQH-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001330898042 956692651 /nfs/dbraw/zinc/69/26/51/956692651.db2.gz FEPPWHHHZIHRDT-JYJNAYRXSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001316874737 957083945 /nfs/dbraw/zinc/08/39/45/957083945.db2.gz CNRGKEDMRSNOLO-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001331470923 957089102 /nfs/dbraw/zinc/08/91/02/957089102.db2.gz VEOWTRBGHVEUQU-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001317008542 957198332 /nfs/dbraw/zinc/19/83/32/957198332.db2.gz YKQKLJJGHMGJJH-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317160856 957313586 /nfs/dbraw/zinc/31/35/86/957313586.db2.gz CDXITKRFCFFAOV-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317177004 957324295 /nfs/dbraw/zinc/32/42/95/957324295.db2.gz FRNNNAGMVBPEJJ-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317202074 957338402 /nfs/dbraw/zinc/33/84/02/957338402.db2.gz DUVWTUZVXQGEEM-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001317204730 957338978 /nfs/dbraw/zinc/33/89/78/957338978.db2.gz CYRGYQYCKIKBBR-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001331927505 957341694 /nfs/dbraw/zinc/34/16/94/957341694.db2.gz CFLJPOSAQFUPQD-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317331762 957426322 /nfs/dbraw/zinc/42/63/22/957426322.db2.gz UTCYGLZTLODOHE-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494606863 972267677 /nfs/dbraw/zinc/26/76/77/972267677.db2.gz NRBSAIZJCJXLJG-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001317488192 957507806 /nfs/dbraw/zinc/50/78/06/957507806.db2.gz VLPHLOZUOHCKCK-UHFFFAOYSA-N 2 0 281.444 1.426 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001317769831 957658337 /nfs/dbraw/zinc/65/83/37/957658337.db2.gz LMLNRINOKLALIY-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001317800073 957669058 /nfs/dbraw/zinc/66/90/58/957669058.db2.gz DYSPLMQEXROOJH-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001318479923 958127605 /nfs/dbraw/zinc/12/76/05/958127605.db2.gz SPZHGZBIEBJJBL-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001333313490 958239020 /nfs/dbraw/zinc/23/90/20/958239020.db2.gz ZGHQJZNOLKASDZ-INIZCTEOSA-N 2 0 291.439 1.795 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001319711846 958696235 /nfs/dbraw/zinc/69/62/35/958696235.db2.gz IBHLNVMBBAKIKT-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001319916982 958785568 /nfs/dbraw/zinc/78/55/68/958785568.db2.gz IXHYUYBXALRVEH-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]21 ZINC001320113826 958944679 /nfs/dbraw/zinc/94/46/79/958944679.db2.gz ZXSZELGFRRCRIA-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001321418247 959776255 /nfs/dbraw/zinc/77/62/55/959776255.db2.gz YDDBBJAMQHEWID-WLBISTCBSA-N 2 0 277.412 1.145 10 30 CDEERP C#CCCN1CCC([NH2+]C[C@@](O)(CC)C(F)(F)F)CC1 ZINC001335986524 960138216 /nfs/dbraw/zinc/13/82/16/960138216.db2.gz MDKUHZSKPWVPPL-ZDUSSCGKSA-N 2 0 292.345 1.767 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1CC ZINC001323165427 960490586 /nfs/dbraw/zinc/49/05/86/960490586.db2.gz ZPDPELUHCNVKOB-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001324261236 961271826 /nfs/dbraw/zinc/27/18/26/961271826.db2.gz NZEMVVWCMAIUQD-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419622814 961879160 /nfs/dbraw/zinc/87/91/60/961879160.db2.gz DZJDNEPPAIPGQN-KGLIPLIRSA-N 2 0 299.846 1.661 10 30 CDEERP C=CC[NH+]1CCC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001569466806 1169886069 /nfs/dbraw/zinc/88/60/69/1169886069.db2.gz FXUGXUFKOIWNBW-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC001540344447 967134940 /nfs/dbraw/zinc/13/49/40/967134940.db2.gz UEOLAVSYAVMUSI-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC001543420915 967297848 /nfs/dbraw/zinc/29/78/48/967297848.db2.gz HBNVLQHICZNOKJ-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(C#N)s1 ZINC001480530854 968115980 /nfs/dbraw/zinc/11/59/80/968115980.db2.gz PBKTZVCWEQMRJE-NSHDSACASA-N 2 0 294.424 1.166 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001569565916 1169926679 /nfs/dbraw/zinc/92/66/79/1169926679.db2.gz HCCJBKOKYUYFME-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496299084 972878209 /nfs/dbraw/zinc/87/82/09/972878209.db2.gz GXADBEZXUBOVRT-GJZGRUSLSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001497660323 973454603 /nfs/dbraw/zinc/45/46/03/973454603.db2.gz DNLBRJGUYRRRDB-OGZRUICASA-N 2 0 293.455 1.947 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001499858483 974316395 /nfs/dbraw/zinc/31/63/95/974316395.db2.gz WQTRKCDXPBJSFF-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001500267204 974413070 /nfs/dbraw/zinc/41/30/70/974413070.db2.gz AVTNNYMHXZMGBT-KRWDZBQOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001501070911 974526906 /nfs/dbraw/zinc/52/69/06/974526906.db2.gz JUXONCPNYCTMFR-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001501133482 974539870 /nfs/dbraw/zinc/53/98/70/974539870.db2.gz YMZTXBHPFPDLQN-LSDHHAIUSA-N 2 0 279.428 1.036 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001501638449 974615139 /nfs/dbraw/zinc/61/51/39/974615139.db2.gz WSPQLDGSPPGZOL-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001502747401 974774925 /nfs/dbraw/zinc/77/49/25/974774925.db2.gz BNDLTOKJRZZJSX-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001506613866 975190303 /nfs/dbraw/zinc/19/03/03/975190303.db2.gz HHJOQBYRMALXIX-TZMCWYRMSA-N 2 0 285.407 1.289 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001507131518 975347349 /nfs/dbraw/zinc/34/73/49/975347349.db2.gz SHLZYVLKCAGKHX-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001507150677 975356393 /nfs/dbraw/zinc/35/63/93/975356393.db2.gz ZRNOJGXONMVEFW-CHWSQXEVSA-N 2 0 255.406 1.339 10 30 CDEERP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001675139138 1174079531 /nfs/dbraw/zinc/07/95/31/1174079531.db2.gz AMIRRWHNUKNCAW-HOTGVXAUSA-N 2 0 295.471 1.977 10 30 CDEERP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001675139544 1174079795 /nfs/dbraw/zinc/07/97/95/1174079795.db2.gz FMUIXARKDDYLBU-JKSUJKDBSA-N 2 0 293.455 1.424 10 30 CDEERP C#CCC[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001675318397 1174101474 /nfs/dbraw/zinc/10/14/74/1174101474.db2.gz ZWMCZOPVFBKXNB-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001676172949 1174187246 /nfs/dbraw/zinc/18/72/46/1174187246.db2.gz ASHTYSJSLOGABP-OAHLLOKOSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001676489149 1174233396 /nfs/dbraw/zinc/23/33/96/1174233396.db2.gz YRAUASQNROSTFG-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001676667345 1174253605 /nfs/dbraw/zinc/25/36/05/1174253605.db2.gz DEIOPZDBYBMSAL-HUUCEWRRSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001570384047 1170148258 /nfs/dbraw/zinc/14/82/58/1170148258.db2.gz CDAAQYFFRAYECA-UHFFFAOYSA-N 2 0 289.423 1.076 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001570863890 1170305512 /nfs/dbraw/zinc/30/55/12/1170305512.db2.gz NTVLTCDYJBREQS-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001570902752 1170316128 /nfs/dbraw/zinc/31/61/28/1170316128.db2.gz YEDCXVVDJSDPKO-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001571398145 1170410223 /nfs/dbraw/zinc/41/02/23/1170410223.db2.gz PCWBMJZUICEYIB-HNNXBMFYSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cn2ccnc2)C1 ZINC001571666599 1170515184 /nfs/dbraw/zinc/51/51/84/1170515184.db2.gz OATRJJNPIOYOOE-WLYUNCDWSA-N 2 0 290.411 1.817 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000594427119 342897325 /nfs/dbraw/zinc/89/73/25/342897325.db2.gz SUQUWHPWIJPIKV-ZIAGYGMSSA-N 2 0 274.368 1.214 10 30 CDEERP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594428017 342897503 /nfs/dbraw/zinc/89/75/03/342897503.db2.gz YWXRSJCDAUIYOZ-VXGBXAGGSA-N 2 0 254.378 1.031 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000594437748 342905902 /nfs/dbraw/zinc/90/59/02/342905902.db2.gz DYJQCZRBWKWSRL-ZDUSSCGKSA-N 2 0 287.367 1.077 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000594438258 342906283 /nfs/dbraw/zinc/90/62/83/342906283.db2.gz SAXDOTPCWFQYPJ-NRXISQOPSA-N 2 0 292.427 1.531 10 30 CDEERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441865 342907685 /nfs/dbraw/zinc/90/76/85/342907685.db2.gz XLPSIKODBBTZBY-KGLIPLIRSA-N 2 0 280.416 1.388 10 30 CDEERP CC[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600714180 342243975 /nfs/dbraw/zinc/24/39/75/342243975.db2.gz JQDWMVDGQQABMS-ZDUSSCGKSA-N 2 0 251.374 1.115 10 30 CDEERP CC(C)[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600716541 342244261 /nfs/dbraw/zinc/24/42/61/342244261.db2.gz YPTYNJYDFUXAFP-CQSZACIVSA-N 2 0 265.401 1.504 10 30 CDEERP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C(C)(C)C ZINC000600723329 342244955 /nfs/dbraw/zinc/24/49/55/342244955.db2.gz KRAXLYKNEHSFTF-UONOGXRCSA-N 2 0 281.444 1.997 10 30 CDEERP C[NH+](C)CCOCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594943037 342979590 /nfs/dbraw/zinc/97/95/90/342979590.db2.gz CCRNKXOYMIHSFS-UHFFFAOYSA-N 2 0 287.407 1.910 10 30 CDEERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000600729627 349876995 /nfs/dbraw/zinc/87/69/95/349876995.db2.gz WGPHMSWPMWSYPW-UHFFFAOYSA-N 2 0 261.369 1.535 10 30 CDEERP N#Cc1ccc(C2([NH2+]CCOCC[NH3+])CCOCC2)cc1 ZINC000600740941 349878525 /nfs/dbraw/zinc/87/85/25/349878525.db2.gz LMHWSTDXQZYNMJ-UHFFFAOYSA-N 2 0 289.379 1.129 10 30 CDEERP C=CC[N@@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001660727524 1172266050 /nfs/dbraw/zinc/26/60/50/1172266050.db2.gz WYWGHBVDQYPJBB-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528391914 361273995 /nfs/dbraw/zinc/27/39/95/361273995.db2.gz FTWKMNYSHOZMKO-LSDHHAIUSA-N 2 0 279.428 1.705 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000626970316 367107844 /nfs/dbraw/zinc/10/78/44/367107844.db2.gz KMKDRLNAPAHUOJ-LSDHHAIUSA-N 2 0 294.443 1.467 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001661809347 1172449522 /nfs/dbraw/zinc/44/95/22/1172449522.db2.gz VMCDCMWUUQSYEU-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC(C)(CCC#N)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000174300249 379448067 /nfs/dbraw/zinc/44/80/67/379448067.db2.gz CYMYBEUKQBOEHF-CQSZACIVSA-N 2 0 267.417 1.753 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001662645483 1172575347 /nfs/dbraw/zinc/57/53/47/1172575347.db2.gz KBNBRJKFDAFJJT-OAHLLOKOSA-N 2 0 291.439 1.487 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001662649075 1172575543 /nfs/dbraw/zinc/57/55/43/1172575543.db2.gz DQLOKAJYJSKJMX-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001663400575 1172687934 /nfs/dbraw/zinc/68/79/34/1172687934.db2.gz RAOOEYSPFKMQPO-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662690859 413318378 /nfs/dbraw/zinc/31/83/78/413318378.db2.gz ONEATFQKJAEFJS-DOTOQJQBSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000662691266 413322643 /nfs/dbraw/zinc/32/26/43/413322643.db2.gz IPTGKPWKVBQEGP-NVXWUHKLSA-N 2 0 291.439 1.772 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662754965 413437293 /nfs/dbraw/zinc/43/72/93/413437293.db2.gz WLLKTMXWWMSFEN-XJKCOSOUSA-N 2 0 277.412 1.426 10 30 CDEERP [NH3+]CC#Cc1ccsc1C[N@@H+]1CCCC[C@H]1CO ZINC000043683956 175092449 /nfs/dbraw/zinc/09/24/49/175092449.db2.gz NJTVGBYPPGYWNK-ZDUSSCGKSA-N 2 0 264.394 1.405 10 30 CDEERP [NH3+]CC#Cc1csc(C[N@@H+]2CCCSCC2)c1 ZINC000043689030 175095229 /nfs/dbraw/zinc/09/52/29/175095229.db2.gz GKLWSOXCXPZYDT-UHFFFAOYSA-N 2 0 266.435 1.997 10 30 CDEERP C[NH+](C)CC1CC[NH+](CCC[C@@](C)(N)C#N)CC1 ZINC000045315753 175358351 /nfs/dbraw/zinc/35/83/51/175358351.db2.gz IOLCLWZTZWTDAX-CQSZACIVSA-N 2 0 252.406 1.281 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001667307275 1173251908 /nfs/dbraw/zinc/25/19/08/1173251908.db2.gz UAVYMJZCZXSACC-OAHLLOKOSA-N 2 0 277.412 1.076 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001668309753 1173394279 /nfs/dbraw/zinc/39/42/79/1173394279.db2.gz LWXAFBWLZWGBNJ-GFCCVEGCSA-N 2 0 273.808 1.319 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668833785 1173471949 /nfs/dbraw/zinc/47/19/49/1173471949.db2.gz KJMDYTBLXDVWDP-JLCCIEBKSA-N 2 0 293.455 1.943 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001672208948 1173752828 /nfs/dbraw/zinc/75/28/28/1173752828.db2.gz JZBMPGSMZVKHLD-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001672327408 1173766012 /nfs/dbraw/zinc/76/60/12/1173766012.db2.gz ICFIICQWMCPVHF-HOTGVXAUSA-N 2 0 293.455 1.426 10 30 CDEERP C[NH+]=C(NC1CCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262811286 330033318 /nfs/dbraw/zinc/03/33/18/330033318.db2.gz VDTDCCSBVILYTF-AWEZNQCLSA-N 2 0 264.417 1.675 10 30 CDEERP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001672531461 1159738887 /nfs/dbraw/zinc/73/88/87/1159738887.db2.gz VDEKAFLQXVYEFE-GJZGRUSLSA-N 2 0 291.439 1.580 10 30 CDEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001700448385 1176934402 /nfs/dbraw/zinc/93/44/02/1176934402.db2.gz KBHNIYSWGFZUGY-CQSZACIVSA-N 2 0 281.444 1.588 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001700550493 1177010672 /nfs/dbraw/zinc/01/06/72/1177010672.db2.gz LWJXYYKNTDHKFB-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001270066337 1160087040 /nfs/dbraw/zinc/08/70/40/1160087040.db2.gz ISYSMFZOMLWXQB-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001700888920 1177179250 /nfs/dbraw/zinc/17/92/50/1177179250.db2.gz RORYYQXXBUXZGL-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482816695 1160637064 /nfs/dbraw/zinc/63/70/64/1160637064.db2.gz JAFBEORDDFOQNV-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001671385049 1160699210 /nfs/dbraw/zinc/69/92/10/1160699210.db2.gz QYZJWGOCNRGDAK-AWEZNQCLSA-N 2 0 265.401 1.239 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001670903731 1161347134 /nfs/dbraw/zinc/34/71/34/1161347134.db2.gz QMOHIOSRLXRWCX-OAHLLOKOSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001714542024 1179198056 /nfs/dbraw/zinc/19/80/56/1179198056.db2.gz FHSRFEOHZWNHNF-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001691678166 1161559194 /nfs/dbraw/zinc/55/91/94/1161559194.db2.gz LMJOQZANYCEXLI-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)C[NH+]1CCCC1 ZINC001732810936 1183133007 /nfs/dbraw/zinc/13/30/07/1183133007.db2.gz MYHKDAXGYAUXJY-UHFFFAOYSA-N 2 0 267.417 1.487 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621150 613784558 /nfs/dbraw/zinc/78/45/58/613784558.db2.gz PDJOKEAYNBIHQF-KBPBESRZSA-N 2 0 279.428 1.483 10 30 CDEERP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902951289 625684365 /nfs/dbraw/zinc/68/43/65/625684365.db2.gz MWLBQQFNMYUISD-AWEZNQCLSA-N 2 0 290.411 1.962 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000901204327 623997912 /nfs/dbraw/zinc/99/79/12/623997912.db2.gz WSMQXKCIPVLMFY-MRXNPFEDSA-N 2 0 293.455 1.685 10 30 CDEERP N#CC1CCC(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000903454008 626001643 /nfs/dbraw/zinc/00/16/43/626001643.db2.gz RDRDJCGCZTWCCG-GPANFISMSA-N 2 0 276.428 1.296 10 30 CDEERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2 ZINC000903977243 626170063 /nfs/dbraw/zinc/17/00/63/626170063.db2.gz MLEIURUGTFRSKP-UXLLHSPISA-N 2 0 299.374 1.271 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000907960878 627927574 /nfs/dbraw/zinc/92/75/74/627927574.db2.gz YOHBCYKPWYRXPA-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000912065672 629747574 /nfs/dbraw/zinc/74/75/74/629747574.db2.gz MQEKAIZKKRSJIX-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913274372 630426848 /nfs/dbraw/zinc/42/68/48/630426848.db2.gz MNFRXWNDIMILIK-HZPDHXFCSA-N 2 0 279.428 1.295 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877151192 630623787 /nfs/dbraw/zinc/62/37/87/630623787.db2.gz HMMGFROILZMXNK-QWRGUYRKSA-N 2 0 273.808 1.351 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000876913279 677938247 /nfs/dbraw/zinc/93/82/47/677938247.db2.gz PRBIXFLNPISDBX-GHMZBOCLSA-N 2 0 259.781 1.090 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877339239 678027171 /nfs/dbraw/zinc/02/71/71/678027171.db2.gz WBVGIFKXJNFABS-KBPBESRZSA-N 2 0 293.798 1.287 10 30 CDEERP CCCCCCCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000103455102 678215905 /nfs/dbraw/zinc/21/59/05/678215905.db2.gz HZAPEUAMNCILEO-UHFFFAOYSA-N 2 0 269.433 1.711 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000907280999 678241132 /nfs/dbraw/zinc/24/11/32/678241132.db2.gz FIQAJWRNCITHBQ-ZDUSSCGKSA-N 2 0 265.401 1.261 10 30 CDEERP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000708855979 678508625 /nfs/dbraw/zinc/50/86/25/678508625.db2.gz WQMUBSCEMZBVSP-DFBGVHRSSA-N 2 0 259.353 1.118 10 30 CDEERP C=C(C)C[C@H](CO)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000925769185 678538154 /nfs/dbraw/zinc/53/81/54/678538154.db2.gz BMXATTACEHQMGM-UONOGXRCSA-N 2 0 298.427 1.225 10 30 CDEERP N#Cc1ccc(CC[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923451503 678564875 /nfs/dbraw/zinc/56/48/75/678564875.db2.gz LPFGKIRXHJFUPL-KRWDZBQOSA-N 2 0 299.418 1.931 10 30 CDEERP C#CCOc1ccc([C@@H](C)[NH2+]CCOCC[NH2+]C)cc1 ZINC000863542113 678726908 /nfs/dbraw/zinc/72/69/08/678726908.db2.gz FWKRRTULVZXJBB-CQSZACIVSA-N 2 0 276.380 1.585 10 30 CDEERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(CC#N)CC1)[NH2+]2 ZINC000925609076 678766937 /nfs/dbraw/zinc/76/69/37/678766937.db2.gz OLDZZMXNOMIQTF-FAAHXZRKSA-N 2 0 262.401 1.093 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000876883136 678855729 /nfs/dbraw/zinc/85/57/29/678855729.db2.gz ACVFOXSKCBRBPX-GRYCIOLGSA-N 2 0 271.792 1.151 10 30 CDEERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852865344 678882773 /nfs/dbraw/zinc/88/27/73/678882773.db2.gz ZTDBCEVRHYNNJP-GASCZTMLSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000876859869 678908934 /nfs/dbraw/zinc/90/89/34/678908934.db2.gz MRUIQSNKMGREFZ-MCIONIFRSA-N 2 0 299.846 1.695 10 30 CDEERP C=C(C)C[C@H](CO)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000926866468 678948376 /nfs/dbraw/zinc/94/83/76/678948376.db2.gz XAKCTTBTBIIUBN-ILXRZTDVSA-N 2 0 252.402 1.920 10 30 CDEERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000925786399 679152549 /nfs/dbraw/zinc/15/25/49/679152549.db2.gz RXOBCMKTXMGKMS-WPGHFRTFSA-N 2 0 255.365 1.991 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000876851788 679496291 /nfs/dbraw/zinc/49/62/91/679496291.db2.gz OCMNHFSUIHJBBN-IJLUTSLNSA-N 2 0 273.808 1.338 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CCC[NH2+]1 ZINC000852879592 679528385 /nfs/dbraw/zinc/52/83/85/679528385.db2.gz FROZUGLQCOWOOB-WMZOPIPTSA-N 2 0 299.418 1.688 10 30 CDEERP CCOCCCNC(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C ZINC000303887030 679641108 /nfs/dbraw/zinc/64/11/08/679641108.db2.gz KRRAPPUJWSGXDS-ZDUSSCGKSA-N 2 0 270.421 1.192 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001649466813 1158595696 /nfs/dbraw/zinc/59/56/96/1158595696.db2.gz UNPQXURZZTUVFV-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001670469712 1158613062 /nfs/dbraw/zinc/61/30/62/1158613062.db2.gz KVWIMVHESIQFPV-LSDHHAIUSA-N 2 0 279.428 1.530 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001691114778 1158916144 /nfs/dbraw/zinc/91/61/44/1158916144.db2.gz VYJMKKMYSDDKBZ-OAGGEKHMSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001691105333 1158910752 /nfs/dbraw/zinc/91/07/52/1158910752.db2.gz ACYVWWOTPXXAGE-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001725163123 1159172924 /nfs/dbraw/zinc/17/29/24/1159172924.db2.gz BGPHAEXDSQVDER-UONOGXRCSA-N 2 0 285.407 1.126 10 30 CDEERP CC#CC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001267593585 1159496277 /nfs/dbraw/zinc/49/62/77/1159496277.db2.gz NXMZGVKXHFHPRK-OAHLLOKOSA-N 2 0 279.428 1.132 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482102232 1159981308 /nfs/dbraw/zinc/98/13/08/1159981308.db2.gz RJYPKORGJUWEEZ-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001483493233 1160930256 /nfs/dbraw/zinc/93/02/56/1160930256.db2.gz VOHCPVIRCZLROS-UHFFFAOYSA-N 2 0 281.444 1.426 10 30 CDEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485811945 1161293844 /nfs/dbraw/zinc/29/38/44/1161293844.db2.gz RRYYNWBVTZWMBY-BMFZPTHFSA-N 2 0 291.439 1.177 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001670903730 1161347555 /nfs/dbraw/zinc/34/75/55/1161347555.db2.gz QMOHIOSRLXRWCX-HNNXBMFYSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000876768300 1165911338 /nfs/dbraw/zinc/91/13/38/1165911338.db2.gz HDQFOZCBXIOIHD-UTUOFQBUSA-N 2 0 273.808 1.445 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001565875665 1168063922 /nfs/dbraw/zinc/06/39/22/1168063922.db2.gz FQWMNUYMHWTCAH-WKILWMFISA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001566712761 1168397651 /nfs/dbraw/zinc/39/76/51/1168397651.db2.gz QFILHSKVWZXJLQ-FVQBIDKESA-N 2 0 293.455 1.777 10 30 CDEERP CC#CC[NH2+]C1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001566987696 1168489217 /nfs/dbraw/zinc/48/92/17/1168489217.db2.gz KOBBZJLZHRSQPB-QQFBHYJXSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001671246712 1169433219 /nfs/dbraw/zinc/43/32/19/1169433219.db2.gz WLMAOMBKYGVUIZ-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001570659062 1170225058 /nfs/dbraw/zinc/22/50/58/1170225058.db2.gz XATDGTGXRGTVPP-GPANFISMSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001570720394 1170253039 /nfs/dbraw/zinc/25/30/39/1170253039.db2.gz RBGSHRRFCJAWJL-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001571488713 1170438198 /nfs/dbraw/zinc/43/81/98/1170438198.db2.gz GZNDVTSYJBYOGY-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001571512364 1170458387 /nfs/dbraw/zinc/45/83/87/1170458387.db2.gz FOEHHVIBYDPXDP-ARFHVFGLSA-N 2 0 293.455 1.729 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001571543295 1170471276 /nfs/dbraw/zinc/47/12/76/1170471276.db2.gz ZUXBLBHNQRQLJE-ZBFHGGJFSA-N 2 0 291.439 1.226 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001671250949 1171094411 /nfs/dbraw/zinc/09/44/11/1171094411.db2.gz GXZCBKGXRJKWGF-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001656234679 1171796691 /nfs/dbraw/zinc/79/66/91/1171796691.db2.gz JACKIIMMLHNCFJ-JYJNAYRXSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001660447672 1172216731 /nfs/dbraw/zinc/21/67/31/1172216731.db2.gz RXHNJYJZNOKEIT-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001661068887 1172331634 /nfs/dbraw/zinc/33/16/34/1172331634.db2.gz PQFJFVNZNSAXDQ-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001666162288 1173115330 /nfs/dbraw/zinc/11/53/30/1173115330.db2.gz LRKDBQOMIHKRDJ-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001669207353 1173517572 /nfs/dbraw/zinc/51/75/72/1173517572.db2.gz LYKDYVWOSNAVIF-MWWKQMNYSA-N 2 0 293.455 1.945 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001689877934 1175291882 /nfs/dbraw/zinc/29/18/82/1175291882.db2.gz QPOPQLDZEZBNLX-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001690390288 1175457979 /nfs/dbraw/zinc/45/79/79/1175457979.db2.gz MUOCMINSQIQBMP-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001690459728 1175476194 /nfs/dbraw/zinc/47/61/94/1175476194.db2.gz SBLUXCDQSCVELZ-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001692332617 1175739871 /nfs/dbraw/zinc/73/98/71/1175739871.db2.gz AOUGSPSSTCCLSB-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001698597381 1175863872 /nfs/dbraw/zinc/86/38/72/1175863872.db2.gz QCSGPIGHLPGMGV-GJZGRUSLSA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001698855573 1175965145 /nfs/dbraw/zinc/96/51/45/1175965145.db2.gz HDDIAHSYZHJNRB-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698947519 1175992797 /nfs/dbraw/zinc/99/27/97/1175992797.db2.gz AQYQBQWCTWSNLA-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@H]21 ZINC001699013897 1176040953 /nfs/dbraw/zinc/04/09/53/1176040953.db2.gz AYANYOYMRGCRFR-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699182055 1176130581 /nfs/dbraw/zinc/13/05/81/1176130581.db2.gz ZUAJWDDUFJWTBX-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001699485081 1176440864 /nfs/dbraw/zinc/44/08/64/1176440864.db2.gz CDTABGPIIKUFNS-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001699651200 1176547742 /nfs/dbraw/zinc/54/77/42/1176547742.db2.gz MSWFZBXUEQLOFA-AWEZNQCLSA-N 2 0 277.412 1.143 10 30 CDEERP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001699683058 1176566259 /nfs/dbraw/zinc/56/62/59/1176566259.db2.gz WAIWFQPNHIIAGZ-CABCVRRESA-N 2 0 277.412 1.027 10 30 CDEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001699877264 1176665314 /nfs/dbraw/zinc/66/53/14/1176665314.db2.gz UNYZYYDPCMLIAC-INIZCTEOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001700106428 1176747898 /nfs/dbraw/zinc/74/78/98/1176747898.db2.gz YIIVYKWRWPVWFY-JYJNAYRXSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001700105055 1176748277 /nfs/dbraw/zinc/74/82/77/1176748277.db2.gz KREOUMBDYWBGJW-JYJNAYRXSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001700109536 1176749222 /nfs/dbraw/zinc/74/92/22/1176749222.db2.gz OMALWTJUGVAKRL-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001700139302 1176766728 /nfs/dbraw/zinc/76/67/28/1176766728.db2.gz WTPAFTGCUUTITH-GJZGRUSLSA-N 2 0 289.423 1.265 10 30 CDEERP C#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001700293051 1176834694 /nfs/dbraw/zinc/83/46/94/1176834694.db2.gz PCPMZZPDGGLIRA-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001700574966 1177024070 /nfs/dbraw/zinc/02/40/70/1177024070.db2.gz CRIAKLDHYUKYOA-CQSZACIVSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(Cl)CN(C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001712967034 1178273255 /nfs/dbraw/zinc/27/32/55/1178273255.db2.gz AOOUVYBHFMYMLY-UHFFFAOYSA-N 2 0 287.835 1.519 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713083988 1178355982 /nfs/dbraw/zinc/35/59/82/1178355982.db2.gz FGIOPXOOQZRIOA-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001713339475 1178508690 /nfs/dbraw/zinc/50/86/90/1178508690.db2.gz JRAZUKFDZDVVJH-HNNXBMFYSA-N 2 0 279.428 1.370 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713755383 1178740289 /nfs/dbraw/zinc/74/02/89/1178740289.db2.gz BTXKUAPRTPAAFD-OAHLLOKOSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001713866293 1178800801 /nfs/dbraw/zinc/80/08/01/1178800801.db2.gz MZDQZTYWSBLXHM-BPLDGKMQSA-N 2 0 279.428 1.387 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713897295 1178829632 /nfs/dbraw/zinc/82/96/32/1178829632.db2.gz JUSHIGLLPZSQIS-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001714049814 1178946578 /nfs/dbraw/zinc/94/65/78/1178946578.db2.gz LDRDKFWNHLFGPJ-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001714080123 1178964156 /nfs/dbraw/zinc/96/41/56/1178964156.db2.gz SVACSBPGPKURCS-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001714246476 1179044673 /nfs/dbraw/zinc/04/46/73/1179044673.db2.gz FRFJJBYUUSXTEB-GHMZBOCLSA-N 2 0 261.797 1.173 10 30 CDEERP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001714307829 1179077355 /nfs/dbraw/zinc/07/73/55/1179077355.db2.gz SSRYOQVXPDSIPJ-JYJNAYRXSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001714445072 1179141924 /nfs/dbraw/zinc/14/19/24/1179141924.db2.gz DWYWOCYDHNPOAM-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CCCC1 ZINC001714509834 1179176775 /nfs/dbraw/zinc/17/67/75/1179176775.db2.gz OMBMCZGFAHABPN-UHFFFAOYSA-N 2 0 281.444 1.923 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001714623150 1179273916 /nfs/dbraw/zinc/27/39/16/1179273916.db2.gz VXOAIHDGIYPJSD-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001714732393 1179364671 /nfs/dbraw/zinc/36/46/71/1179364671.db2.gz XHUSPWBPIZEQEY-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001714812776 1179406480 /nfs/dbraw/zinc/40/64/80/1179406480.db2.gz NQEKDZDNHRXWDJ-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](CC)CC)CCCC1 ZINC001715101231 1179551349 /nfs/dbraw/zinc/55/13/49/1179551349.db2.gz ZCCNBQFBQKNDHK-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001715432679 1179666964 /nfs/dbraw/zinc/66/69/64/1179666964.db2.gz APYXCDVCQBLYAA-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001715469620 1179675553 /nfs/dbraw/zinc/67/55/53/1179675553.db2.gz FXEMKSYPOLAXQT-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715528336 1179701424 /nfs/dbraw/zinc/70/14/24/1179701424.db2.gz BBZQNGXYDYRWQA-GJZGRUSLSA-N 2 0 279.428 1.130 10 30 CDEERP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001715727386 1179781009 /nfs/dbraw/zinc/78/10/09/1179781009.db2.gz HAHHUOCPTQSNTR-CABCVRRESA-N 2 0 281.444 1.635 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001715740012 1179786141 /nfs/dbraw/zinc/78/61/41/1179786141.db2.gz MADSKUXRJGBNIT-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001716030229 1180005825 /nfs/dbraw/zinc/00/58/25/1180005825.db2.gz NVXRJMHSPCRYOA-GJZGRUSLSA-N 2 0 279.428 1.319 10 30 CDEERP C=CCC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]21 ZINC001716051053 1180021920 /nfs/dbraw/zinc/02/19/20/1180021920.db2.gz LRJIPPHZJPCLFV-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001716050830 1180022066 /nfs/dbraw/zinc/02/20/66/1180022066.db2.gz KAOZGVYALJLUTI-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001716465736 1180225572 /nfs/dbraw/zinc/22/55/72/1180225572.db2.gz IOHBTMODKWURHV-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001716520325 1180263926 /nfs/dbraw/zinc/26/39/26/1180263926.db2.gz KUVNNLMHZIBHIO-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716540486 1180277020 /nfs/dbraw/zinc/27/70/20/1180277020.db2.gz HNIXNZIREZGDHA-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001716623101 1180311971 /nfs/dbraw/zinc/31/19/71/1180311971.db2.gz BODBGRCOPKFVDH-GDBMZVCRSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001716685308 1180367900 /nfs/dbraw/zinc/36/79/00/1180367900.db2.gz XBIPMYPIZUJFNY-CYBMUJFWSA-N 2 0 265.401 1.285 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001716701812 1180379417 /nfs/dbraw/zinc/37/94/17/1180379417.db2.gz CWPSWHPOFTUBKQ-UHFFFAOYSA-N 2 0 277.412 1.124 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001717499789 1180713484 /nfs/dbraw/zinc/71/34/84/1180713484.db2.gz LQFNJNUIDWSEBK-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001717564382 1180741561 /nfs/dbraw/zinc/74/15/61/1180741561.db2.gz GLDNORSXRUIHEH-ZDUSSCGKSA-N 2 0 267.417 1.339 10 30 CDEERP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001717623848 1180763321 /nfs/dbraw/zinc/76/33/21/1180763321.db2.gz NUTNQDPYMHVMDV-ZNMIVQPWSA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001717719910 1180806498 /nfs/dbraw/zinc/80/64/98/1180806498.db2.gz RXZGVLVFJRCESO-HZPDHXFCSA-N 2 0 293.455 1.635 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001717744580 1180824028 /nfs/dbraw/zinc/82/40/28/1180824028.db2.gz DXOXJDBIZAVTOZ-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001717843184 1180888092 /nfs/dbraw/zinc/88/80/92/1180888092.db2.gz WHOPXAFJRGGZHG-WBVHZDCISA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC001717895290 1180918010 /nfs/dbraw/zinc/91/80/10/1180918010.db2.gz ISVCJSDPGHGLBF-OAHLLOKOSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001725116427 1181870017 /nfs/dbraw/zinc/87/00/17/1181870017.db2.gz LLYJQGWMDMWBEZ-ZIAGYGMSSA-N 2 0 297.443 1.156 10 30 CDEERP C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001725410090 1181990984 /nfs/dbraw/zinc/99/09/84/1181990984.db2.gz LYEGGCXKXYTOLK-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001725650711 1182086777 /nfs/dbraw/zinc/08/67/77/1182086777.db2.gz DCDHELRSOLDEHN-CVEARBPZSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)Cc2ncc[nH]2)CC1(C)C ZINC001725681577 1182095570 /nfs/dbraw/zinc/09/55/70/1182095570.db2.gz SHAKGLORSFJJGQ-ZDUSSCGKSA-N 2 0 290.411 1.745 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001731394123 1182357295 /nfs/dbraw/zinc/35/72/95/1182357295.db2.gz WPVZHXFXWBJUSU-KGLIPLIRSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001731773444 1182561815 /nfs/dbraw/zinc/56/18/15/1182561815.db2.gz XOBYEVMSZZSKBV-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C#CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001731791869 1182582917 /nfs/dbraw/zinc/58/29/17/1182582917.db2.gz MOSBNKUBBWFITK-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001731883115 1182650720 /nfs/dbraw/zinc/65/07/20/1182650720.db2.gz AMFXZRMECGOGIV-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001731960499 1182701124 /nfs/dbraw/zinc/70/11/24/1182701124.db2.gz BHYFDDHXJBMNRX-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001732208131 1182858812 /nfs/dbraw/zinc/85/88/12/1182858812.db2.gz FGDWZZXVTYZGLD-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001732533456 1182999144 /nfs/dbraw/zinc/99/91/44/1182999144.db2.gz SDKCESBQSSZXAY-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)CCC ZINC001732631217 1183056572 /nfs/dbraw/zinc/05/65/72/1183056572.db2.gz RCEDBXMIMULQKI-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001733027333 1183245849 /nfs/dbraw/zinc/24/58/49/1183245849.db2.gz LNYSQJKEUBQAIW-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001733538197 1183458607 /nfs/dbraw/zinc/45/86/07/1183458607.db2.gz MYJSKXYFBRMHNV-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001733931907 1183574275 /nfs/dbraw/zinc/57/42/75/1183574275.db2.gz KBPPODUTNJKDDI-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001734131723 1183670118 /nfs/dbraw/zinc/67/01/18/1183670118.db2.gz UOWABQSVVAPQBL-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001566714260 1168033595 /nfs/dbraw/zinc/03/35/95/1168033595.db2.gz JGNDZOQRKWVAED-HUUCEWRRSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001565781095 1168169404 /nfs/dbraw/zinc/16/94/04/1168169404.db2.gz GQVOQFQLGOCLAU-AWEZNQCLSA-N 2 0 265.401 1.191 10 30 CDEERP C=C(C)C[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001566611982 1168355763 /nfs/dbraw/zinc/35/57/63/1168355763.db2.gz WIAHBFXMAGZSBX-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001567337511 1168689822 /nfs/dbraw/zinc/68/98/22/1168689822.db2.gz NCXYIMAPLJZTKY-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001272543282 913403307 /nfs/dbraw/zinc/40/33/07/913403307.db2.gz DKDOKZFHMPCJHD-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001266304226 894304802 /nfs/dbraw/zinc/30/48/02/894304802.db2.gz NUTZKVLHUUYZDE-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266361310 894564954 /nfs/dbraw/zinc/56/49/54/894564954.db2.gz KTLONAPZUSIRHK-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP CC#CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001266609315 895546765 /nfs/dbraw/zinc/54/67/65/895546765.db2.gz JNMUDXVMELOBNP-OAHLLOKOSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001266674044 895782732 /nfs/dbraw/zinc/78/27/32/895782732.db2.gz KOKYILMJYSTSHD-MJBXVCDLSA-N 2 0 265.401 1.284 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001266948476 896412685 /nfs/dbraw/zinc/41/26/85/896412685.db2.gz JBEOVKXQUHMTEU-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001266949770 896419859 /nfs/dbraw/zinc/41/98/59/896419859.db2.gz FTGGJBFOFIGSMC-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267039158 896617085 /nfs/dbraw/zinc/61/70/85/896617085.db2.gz MXFBXPNYDWIHLD-CABCVRRESA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267600163 898692868 /nfs/dbraw/zinc/69/28/68/898692868.db2.gz CIIZFKKBIAEOEJ-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267600162 898693341 /nfs/dbraw/zinc/69/33/41/898693341.db2.gz CIIZFKKBIAEOEJ-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001481071246 898727850 /nfs/dbraw/zinc/72/78/50/898727850.db2.gz OWUKMAPYJYONGC-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001481072522 898729476 /nfs/dbraw/zinc/72/94/76/898729476.db2.gz YJUWESJVOLLASI-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267620064 899033018 /nfs/dbraw/zinc/03/30/18/899033018.db2.gz RMEKAPFKROIPJD-OAHLLOKOSA-N 2 0 291.439 1.629 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001267918071 899971346 /nfs/dbraw/zinc/97/13/46/899971346.db2.gz ZQMZXFONXNCKEB-MRXNPFEDSA-N 2 0 293.455 1.424 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001267966295 900103765 /nfs/dbraw/zinc/10/37/65/900103765.db2.gz LCGXDBBWHRYOFU-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000195522481 900207829 /nfs/dbraw/zinc/20/78/29/900207829.db2.gz NVDKIEFMMKQURZ-GJZGRUSLSA-N 2 0 296.459 1.582 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268073368 901100214 /nfs/dbraw/zinc/10/02/14/901100214.db2.gz ZYTQFGGNUUKUCG-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001268115967 901330309 /nfs/dbraw/zinc/33/03/09/901330309.db2.gz ZBMFYKWETDCLNM-OAHLLOKOSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001268136950 901380439 /nfs/dbraw/zinc/38/04/39/901380439.db2.gz XFHRVJHTFKOPOL-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001268175101 901527830 /nfs/dbraw/zinc/52/78/30/901527830.db2.gz DITRYHQGJQWQKI-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001567752541 1168951971 /nfs/dbraw/zinc/95/19/71/1168951971.db2.gz XCZWTBVNDXMQQY-OAHLLOKOSA-N 2 0 279.428 1.295 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001567766448 1168957396 /nfs/dbraw/zinc/95/73/96/1168957396.db2.gz GSYVFGZSGOYPOR-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001481740999 901986627 /nfs/dbraw/zinc/98/66/27/901986627.db2.gz HKSPZWQFFGVDBC-HOTGVXAUSA-N 2 0 293.455 1.663 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C[N@H+](C)C(C)C ZINC001481879959 902257827 /nfs/dbraw/zinc/25/78/27/902257827.db2.gz BABXLNMBSGURCL-ZDUSSCGKSA-N 2 0 255.406 1.387 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001482068352 902602858 /nfs/dbraw/zinc/60/28/58/902602858.db2.gz KGCFGNLUYAKAET-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001268630940 902845649 /nfs/dbraw/zinc/84/56/49/902845649.db2.gz SZXPBKTVFIKJCF-AATRIKPKSA-N 2 0 277.412 1.148 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001268796846 903138928 /nfs/dbraw/zinc/13/89/28/903138928.db2.gz YNRRNCXOWJZREJ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001269199571 903535310 /nfs/dbraw/zinc/53/53/10/903535310.db2.gz KYZZIVOQYXTAKD-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001269268253 903631186 /nfs/dbraw/zinc/63/11/86/903631186.db2.gz JZPKLRPTDDQRFF-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001269516348 903887386 /nfs/dbraw/zinc/88/73/86/903887386.db2.gz NRTDJYIMAXDALY-INIZCTEOSA-N 2 0 287.407 1.479 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001269971818 904240676 /nfs/dbraw/zinc/24/06/76/904240676.db2.gz JMPDSGMHRIHTDJ-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001270070862 904324292 /nfs/dbraw/zinc/32/42/92/904324292.db2.gz FVRZBPJOOBTPGJ-UHFFFAOYSA-N 2 0 299.418 1.367 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001270122319 904379525 /nfs/dbraw/zinc/37/95/25/904379525.db2.gz YNDGOHYUISVYFZ-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001270254385 904481050 /nfs/dbraw/zinc/48/10/50/904481050.db2.gz MUJLIBUICYNQDP-HRCADAONSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001270605166 904784047 /nfs/dbraw/zinc/78/40/47/904784047.db2.gz VZLMAIPATCFIOZ-OAHLLOKOSA-N 2 0 279.428 1.228 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001270866931 905234637 /nfs/dbraw/zinc/23/46/37/905234637.db2.gz KCBDOUMQNLYLQS-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001270992149 905527875 /nfs/dbraw/zinc/52/78/75/905527875.db2.gz SFHRHYWYKGJTRN-OAHLLOKOSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001271154706 905876227 /nfs/dbraw/zinc/87/62/27/905876227.db2.gz JPUFPBIHGNYKKA-AWEZNQCLSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001271521675 906497681 /nfs/dbraw/zinc/49/76/81/906497681.db2.gz QWIKDIGMZLQNNL-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001271550148 906517337 /nfs/dbraw/zinc/51/73/37/906517337.db2.gz NEDIUQPIUNECDB-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483037820 908766786 /nfs/dbraw/zinc/76/67/86/908766786.db2.gz QUYSZTNTSUCILX-CMDGGOBGSA-N 2 0 293.455 1.947 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001483420473 911093670 /nfs/dbraw/zinc/09/36/70/911093670.db2.gz LNPHZWYCJINZCU-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483488287 911185853 /nfs/dbraw/zinc/18/58/53/911185853.db2.gz XFZFZGKJKDVARK-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484126474 915448016 /nfs/dbraw/zinc/44/80/16/915448016.db2.gz WPPCWKOFUUIMCD-UKRRQHHQSA-N 2 0 299.846 1.519 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001484716649 916072994 /nfs/dbraw/zinc/07/29/94/916072994.db2.gz OYIMVFYIGQMTQH-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001484725447 916087020 /nfs/dbraw/zinc/08/70/20/916087020.db2.gz ADHGBMVWNZTQOD-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001568192442 1169171105 /nfs/dbraw/zinc/17/11/05/1169171105.db2.gz WPHJLXWTFHHIIV-GJZGRUSLSA-N 2 0 279.428 1.084 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001568206307 1169178370 /nfs/dbraw/zinc/17/83/70/1169178370.db2.gz UKXWIRJCQCCCIQ-CHWSQXEVSA-N 2 0 255.406 1.101 10 30 CDEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001485827202 918944495 /nfs/dbraw/zinc/94/44/95/918944495.db2.gz ONYZRTJBQCIZNE-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272866287 919927088 /nfs/dbraw/zinc/92/70/88/919927088.db2.gz USEAGOXKVYCTFB-QWHCGFSZSA-N 2 0 287.835 1.708 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001486183861 920789755 /nfs/dbraw/zinc/78/97/55/920789755.db2.gz NDXACYPUHOLQDD-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH+]1CC=C(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001486516077 921090408 /nfs/dbraw/zinc/09/04/08/921090408.db2.gz YOYDNXWSMHFQES-HNNXBMFYSA-N 2 0 291.439 1.653 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001491504098 936926207 /nfs/dbraw/zinc/92/62/07/936926207.db2.gz ISAJUPQTJPMMFO-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001490770651 927337751 /nfs/dbraw/zinc/33/77/51/927337751.db2.gz DQEIOIWXBWVAFG-GJZGRUSLSA-N 2 0 279.428 1.130 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+]1CCCC ZINC001136464945 931072043 /nfs/dbraw/zinc/07/20/43/931072043.db2.gz ADOREEKEXBRCMN-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001275177899 931690996 /nfs/dbraw/zinc/69/09/96/931690996.db2.gz XUVGAYFMGCAPMR-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001275458766 931805256 /nfs/dbraw/zinc/80/52/56/931805256.db2.gz HQUGWIPWLFJFST-KBPBESRZSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001275729070 931982816 /nfs/dbraw/zinc/98/28/16/931982816.db2.gz JRHXMOQMQCMOLI-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001275919739 932133322 /nfs/dbraw/zinc/13/33/22/932133322.db2.gz FNWFQRMTBLIOBB-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C[NH+]1CCCC1 ZINC001568551852 1169364564 /nfs/dbraw/zinc/36/45/64/1169364564.db2.gz VZISGNMBICMUMB-UHFFFAOYSA-N 2 0 253.390 1.049 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001276219100 932660799 /nfs/dbraw/zinc/66/07/99/932660799.db2.gz PGQBGTPILLQVPC-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001276262546 932696831 /nfs/dbraw/zinc/69/68/31/932696831.db2.gz ZCVMBQFATLSWPN-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001276839860 941635175 /nfs/dbraw/zinc/63/51/75/941635175.db2.gz MGPXHWXLTOZMBQ-XHSDSOJGSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001276947237 941720484 /nfs/dbraw/zinc/72/04/84/941720484.db2.gz POLSQQZYXGIFRJ-KKUMJFAQSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](C)CC)CC1 ZINC001277079664 941922491 /nfs/dbraw/zinc/92/24/91/941922491.db2.gz JGBVKSLUYDOHJM-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001277092298 941942015 /nfs/dbraw/zinc/94/20/15/941942015.db2.gz AHTOQEWQUIIISW-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001277093807 941943355 /nfs/dbraw/zinc/94/33/55/941943355.db2.gz AKMRGOCJZIZZMC-CABCVRRESA-N 2 0 289.423 1.265 10 30 CDEERP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001277282496 942284992 /nfs/dbraw/zinc/28/49/92/942284992.db2.gz BZIMUHGHXXEZAK-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001280485040 942452685 /nfs/dbraw/zinc/45/26/85/942452685.db2.gz AIJKHLGSAOHGOV-UHFFFAOYSA-N 2 0 279.428 1.675 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001281500476 942585681 /nfs/dbraw/zinc/58/56/81/942585681.db2.gz XFBKTHRDAWXMRU-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001284291846 943138510 /nfs/dbraw/zinc/13/85/10/943138510.db2.gz MEPVWJMQLSUDQE-CQSZACIVSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284961037 943303126 /nfs/dbraw/zinc/30/31/26/943303126.db2.gz ZIYGIOPHMGVLDS-UHFFFAOYSA-N 2 0 265.401 1.263 10 30 CDEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CCC ZINC001264006597 944060738 /nfs/dbraw/zinc/06/07/38/944060738.db2.gz CZVGPORUKQZMCZ-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001264438257 944136814 /nfs/dbraw/zinc/13/68/14/944136814.db2.gz SEWLJDAWPIOVEA-SHTZXODSSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001265092796 944228013 /nfs/dbraw/zinc/22/80/13/944228013.db2.gz VCLIPHZPTAHJHO-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001265359170 944359017 /nfs/dbraw/zinc/35/90/17/944359017.db2.gz YSFBZQDVFFYVCH-HUUCEWRRSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001265403250 944375709 /nfs/dbraw/zinc/37/57/09/944375709.db2.gz BPIHGHGQGPDTKL-XHSDSOJGSA-N 2 0 291.439 1.722 10 30 CDEERP C#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001265708310 944475866 /nfs/dbraw/zinc/47/58/66/944475866.db2.gz MKXKGUPVTFMWOE-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001265711689 944478284 /nfs/dbraw/zinc/47/82/84/944478284.db2.gz NQBIDJNFUVWDEQ-OWYFMNJBSA-N 2 0 291.439 1.482 10 30 CDEERP C=CC[N@@H+](C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001265946704 944590584 /nfs/dbraw/zinc/59/05/84/944590584.db2.gz KLKOMQXZMKYZLJ-UHFFFAOYSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001266006032 944626158 /nfs/dbraw/zinc/62/61/58/944626158.db2.gz GZQWQXNOIUZXPB-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001266149543 944714975 /nfs/dbraw/zinc/71/49/75/944714975.db2.gz YNJDLKPABWBTRK-LBPRGKRZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266154837 944721048 /nfs/dbraw/zinc/72/10/48/944721048.db2.gz HEDIUFLLGNSCDS-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001568867024 1169524715 /nfs/dbraw/zinc/52/47/15/1169524715.db2.gz ZSEYOQRKLJEDQT-FWWRYZNZSA-N 2 0 287.835 1.587 10 30 CDEERP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001278419992 947837318 /nfs/dbraw/zinc/83/73/18/947837318.db2.gz JLNZWOXGICJQIJ-AWEZNQCLSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001278421511 947855594 /nfs/dbraw/zinc/85/55/94/947855594.db2.gz VJYMPDZGPYEXIW-OAHLLOKOSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001479908834 971482014 /nfs/dbraw/zinc/48/20/14/971482014.db2.gz SIFFJBRBWZGXQE-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001569038617 1169606950 /nfs/dbraw/zinc/60/69/50/1169606950.db2.gz OJKSPBXPJNEVLG-CYBMUJFWSA-N 2 0 253.390 1.143 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001278535359 949792749 /nfs/dbraw/zinc/79/27/49/949792749.db2.gz HDJAFZIPRBBQFI-YQQAZPJKSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001480223322 971636186 /nfs/dbraw/zinc/63/61/86/971636186.db2.gz ACFCARKQTJRAGV-MCIONIFRSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278572715 950215670 /nfs/dbraw/zinc/21/56/70/950215670.db2.gz QKKMQQMLGJRRJL-ZBFHGGJFSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001480462852 971741692 /nfs/dbraw/zinc/74/16/92/971741692.db2.gz YXJNEQKYGORRED-CABCVRRESA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001493028427 971927449 /nfs/dbraw/zinc/92/74/49/971927449.db2.gz BMHVFXGRRKSJOJ-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001493150517 971962481 /nfs/dbraw/zinc/96/24/81/971962481.db2.gz DNSDYXLVNHBVHO-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001325700346 954035160 /nfs/dbraw/zinc/03/51/60/954035160.db2.gz DGJAYSKPALSWHX-UHFFFAOYSA-N 2 0 287.407 1.190 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001491858207 955471779 /nfs/dbraw/zinc/47/17/79/955471779.db2.gz CSSGVOFEBBHSPT-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001421822732 955542700 /nfs/dbraw/zinc/54/27/00/955542700.db2.gz IJGVBMBCUYQGDM-CYBMUJFWSA-N 2 0 287.835 1.661 10 30 CDEERP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317377465 956238117 /nfs/dbraw/zinc/23/81/17/956238117.db2.gz CNQHLLBQTMNTDK-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001422989515 956496069 /nfs/dbraw/zinc/49/60/69/956496069.db2.gz BMTIDDXKJGDZLO-AWEZNQCLSA-N 2 0 299.846 1.661 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480680852 956506235 /nfs/dbraw/zinc/50/62/35/956506235.db2.gz QIBWOKDHCHCSMB-HOTGVXAUSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001494171923 972193673 /nfs/dbraw/zinc/19/36/73/972193673.db2.gz KZBZEHUOQGFOLH-HOTGVXAUSA-N 2 0 293.455 1.685 10 30 CDEERP C=CC[NH2+][C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001331213900 956892887 /nfs/dbraw/zinc/89/28/87/956892887.db2.gz GYQOEJXFLASUEX-HUUCEWRRSA-N 2 0 281.444 1.635 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001494387853 972223822 /nfs/dbraw/zinc/22/38/22/972223822.db2.gz SVUXMPUEBKLYDY-VNQPRFMTSA-N 2 0 293.455 1.872 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001331458699 957076204 /nfs/dbraw/zinc/07/62/04/957076204.db2.gz LWOLNPYJVBZTAE-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001316956150 957154670 /nfs/dbraw/zinc/15/46/70/957154670.db2.gz NKWDLDSNFAQKNX-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001317000491 957194943 /nfs/dbraw/zinc/19/49/43/957194943.db2.gz GOZCMMXPBXETSV-HUUCEWRRSA-N 2 0 293.455 1.729 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001317023809 957209369 /nfs/dbraw/zinc/20/93/69/957209369.db2.gz FQTIVEMKZWTXQL-CVEARBPZSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317043756 957223036 /nfs/dbraw/zinc/22/30/36/957223036.db2.gz PEWVZJBDLCPCBV-HNNXBMFYSA-N 2 0 293.455 1.685 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317075791 957249146 /nfs/dbraw/zinc/24/91/46/957249146.db2.gz FTLYKNSUHQWDNW-SHTZXODSSA-N 2 0 291.439 1.511 10 30 CDEERP C#CC[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001317381798 957443054 /nfs/dbraw/zinc/44/30/54/957443054.db2.gz RFOLOMKNRIZDQV-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317382669 957444322 /nfs/dbraw/zinc/44/43/22/957444322.db2.gz ZSTBJKDXTKPTLC-HNNXBMFYSA-N 2 0 277.412 1.028 10 30 CDEERP C=CCC[N@@H+](C)CC1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001317881037 957708337 /nfs/dbraw/zinc/70/83/37/957708337.db2.gz CRTDHMIWCMKPTP-UHFFFAOYSA-N 2 0 290.411 1.699 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH2+]C ZINC001333237855 958179300 /nfs/dbraw/zinc/17/93/00/958179300.db2.gz SOGBUOPRLYXQNO-GHMZBOCLSA-N 2 0 259.781 1.057 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)CC[NH+]1CCCCC1 ZINC001318608874 958196842 /nfs/dbraw/zinc/19/68/42/958196842.db2.gz ZDKNGSQWKFGKHR-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001318606618 958197249 /nfs/dbraw/zinc/19/72/49/958197249.db2.gz MEZUYVGOMMKQMT-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1 ZINC001318700799 958237466 /nfs/dbraw/zinc/23/74/66/958237466.db2.gz GCPNDQXIOVXMFU-IOASZLSFSA-N 2 0 286.379 1.021 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001368109199 958643016 /nfs/dbraw/zinc/64/30/16/958643016.db2.gz LGLCVCYOJIDJPL-LBPRGKRZSA-N 2 0 273.808 1.271 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001319697774 958691376 /nfs/dbraw/zinc/69/13/76/958691376.db2.gz WBIISTIXZJRLFF-GOEBONIOSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001368888011 959227738 /nfs/dbraw/zinc/22/77/38/959227738.db2.gz AEFUQSSTTBGEFI-NWDGAFQWSA-N 2 0 275.824 1.562 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001321056995 959564946 /nfs/dbraw/zinc/56/49/46/959564946.db2.gz LQVQEYSVIVSBQP-LQYUOIDQSA-N 2 0 277.412 1.145 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001322042912 960065879 /nfs/dbraw/zinc/06/58/79/960065879.db2.gz ZKRXCAMJJKXXDQ-GOEBONIOSA-N 2 0 287.407 1.407 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001495395219 972487738 /nfs/dbraw/zinc/48/77/38/972487738.db2.gz DESNWWGFUDFFMI-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001322580385 960266323 /nfs/dbraw/zinc/26/63/23/960266323.db2.gz HLXVSBNUISIEQI-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CC ZINC001323166573 960492038 /nfs/dbraw/zinc/49/20/38/960492038.db2.gz DEYDESXTTUUBGR-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001323516475 960785531 /nfs/dbraw/zinc/78/55/31/960785531.db2.gz PNZRMWSNSBLHMC-CYBMUJFWSA-N 2 0 265.401 1.285 10 30 CDEERP C#CC[NH2+]CC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001341580459 963470836 /nfs/dbraw/zinc/47/08/36/963470836.db2.gz WLUPTMAUVKOWTK-GOEBONIOSA-N 2 0 291.439 1.355 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001569381481 1169828343 /nfs/dbraw/zinc/82/83/43/1169828343.db2.gz QVHXFHVHUNPMHM-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H]2CCCCC[NH2+]2)CCC[NH2+]1 ZINC001342203992 963671547 /nfs/dbraw/zinc/67/15/47/963671547.db2.gz GBCQIVWHYYHKDJ-ZFWWWQNUSA-N 2 0 265.401 1.333 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC001344400644 964297733 /nfs/dbraw/zinc/29/77/33/964297733.db2.gz SULZGHMYLXWNRD-INIZCTEOSA-N 2 0 287.407 1.632 10 30 CDEERP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001569466807 1169886824 /nfs/dbraw/zinc/88/68/24/1169886824.db2.gz FXUGXUFKOIWNBW-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001480120430 967124936 /nfs/dbraw/zinc/12/49/36/967124936.db2.gz NBYSHHYYUSISGW-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C#CCC[NH+]1CCC(NC(=O)CC[N@H+]2CC[C@H](F)C2)CC1 ZINC001465396996 969869633 /nfs/dbraw/zinc/86/96/33/969869633.db2.gz WSUYXCSHIIBVDR-AWEZNQCLSA-N 2 0 295.402 1.024 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001496642276 973006805 /nfs/dbraw/zinc/00/68/05/973006805.db2.gz NLABPKCWYHMRNC-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001496916535 973143401 /nfs/dbraw/zinc/14/34/01/973143401.db2.gz ITEPMDPAPXYVOE-HZPDHXFCSA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001569683989 1169965839 /nfs/dbraw/zinc/96/58/39/1169965839.db2.gz VQACYJQXZDBDRG-RDJZCZTQSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001499264312 974225516 /nfs/dbraw/zinc/22/55/16/974225516.db2.gz VWFYKJNOXWRFGE-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001499855873 974316459 /nfs/dbraw/zinc/31/64/59/974316459.db2.gz YQILOFKJIHTDIP-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001500007493 974350510 /nfs/dbraw/zinc/35/05/10/974350510.db2.gz SKYCFNOIOJBJIY-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001500007497 974350780 /nfs/dbraw/zinc/35/07/80/974350780.db2.gz SKYCFNOIOJBJIY-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001500347193 974426511 /nfs/dbraw/zinc/42/65/11/974426511.db2.gz BGOPETRGKZHOTA-INMHGKMJSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500402775 974432312 /nfs/dbraw/zinc/43/23/12/974432312.db2.gz ZPUCBQCZXMPWNE-DOTOQJQBSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001502745053 974775329 /nfs/dbraw/zinc/77/53/29/974775329.db2.gz ORVTZISULIWZNW-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001505444216 974880665 /nfs/dbraw/zinc/88/06/65/974880665.db2.gz ZVQXGJFEIKAWPQ-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001507960952 975571671 /nfs/dbraw/zinc/57/16/71/975571671.db2.gz FLQMPSHHTPJPNM-GJZGRUSLSA-N 2 0 295.471 1.716 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001508021142 975579611 /nfs/dbraw/zinc/57/96/11/975579611.db2.gz GWFVIFKLFDEIIX-KBPBESRZSA-N 2 0 279.428 1.082 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001508146381 975621838 /nfs/dbraw/zinc/62/18/38/975621838.db2.gz ZKWFQPUKZWFBGT-NRXISQOPSA-N 2 0 279.428 1.175 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001405645519 975803923 /nfs/dbraw/zinc/80/39/23/975803923.db2.gz NVFIEQYSULAXDB-RISCZKNCSA-N 2 0 299.846 1.423 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001390535967 976358372 /nfs/dbraw/zinc/35/83/72/976358372.db2.gz GNUDFMFBYRNZRW-OLZOCXBDSA-N 2 0 287.835 1.708 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001492975069 976962778 /nfs/dbraw/zinc/96/27/78/976962778.db2.gz YTQXVKPPPZEGAN-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001674407737 1173939844 /nfs/dbraw/zinc/93/98/44/1173939844.db2.gz XLRKRQWQTQHXEY-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001674491110 1173953466 /nfs/dbraw/zinc/95/34/66/1173953466.db2.gz KUAZRSLBFLIWRR-HNNXBMFYSA-N 2 0 289.423 1.028 10 30 CDEERP C=CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001675263221 1174090164 /nfs/dbraw/zinc/09/01/64/1174090164.db2.gz NRBHYFMVCNJFNY-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001676854444 1174280578 /nfs/dbraw/zinc/28/05/78/1174280578.db2.gz UBQZOVNTANJVLK-OWCLPIDISA-N 2 0 291.439 1.177 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001569968494 1170049737 /nfs/dbraw/zinc/04/97/37/1170049737.db2.gz JXYIVHMQOKFBDS-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001570359705 1170137930 /nfs/dbraw/zinc/13/79/30/1170137930.db2.gz ZVMIIOMOBQLUFN-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001570908355 1170317147 /nfs/dbraw/zinc/31/71/47/1170317147.db2.gz ZMGWLQXZXCDQHL-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001571257622 1170355895 /nfs/dbraw/zinc/35/58/95/1170355895.db2.gz QFDSZTGSGNTAIM-GOEBONIOSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001571348741 1170378117 /nfs/dbraw/zinc/37/81/17/1170378117.db2.gz NTBWZAIQFAWPLN-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001656830985 1171884675 /nfs/dbraw/zinc/88/46/75/1171884675.db2.gz QUBVULCOUDJFJN-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C=CC[C@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000351580225 361773458 /nfs/dbraw/zinc/77/34/58/361773458.db2.gz LAGMLMGBWMEPOY-CQSZACIVSA-N 2 0 272.352 1.602 10 30 CDEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)C(C)C ZINC000121233841 342088211 /nfs/dbraw/zinc/08/82/11/342088211.db2.gz BLKNXWJHMMXBPU-RDJZCZTQSA-N 2 0 293.455 1.943 10 30 CDEERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441672 342907468 /nfs/dbraw/zinc/90/74/68/342907468.db2.gz UMANQRIGPZVIHA-KGLIPLIRSA-N 2 0 280.416 1.388 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000594450355 342909896 /nfs/dbraw/zinc/90/98/96/342909896.db2.gz ZEKUHZWDWFSUHV-OLZOCXBDSA-N 2 0 278.400 1.189 10 30 CDEERP C[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)C[NH+]1CCCC1 ZINC000600717260 342244379 /nfs/dbraw/zinc/24/43/79/342244379.db2.gz PRSJHSATCZAQQN-UONOGXRCSA-N 2 0 265.401 1.363 10 30 CDEERP CC[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600715127 342246442 /nfs/dbraw/zinc/24/64/42/342246442.db2.gz RPWXIDAYJGFNHX-HNNXBMFYSA-N 2 0 295.427 1.132 10 30 CDEERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000594616291 342928492 /nfs/dbraw/zinc/92/84/92/342928492.db2.gz VWTOFEGTIPPEBS-VDISTLRHSA-N 2 0 284.367 1.031 10 30 CDEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000595060961 343000911 /nfs/dbraw/zinc/00/09/11/343000911.db2.gz JEQLUKBOJFHBNH-HRCADAONSA-N 2 0 280.460 1.930 10 30 CDEERP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000600768887 349879486 /nfs/dbraw/zinc/87/94/86/349879486.db2.gz HOSVVIAPLNOAJY-HEHGZKQESA-N 2 0 289.379 1.870 10 30 CDEERP CC#CCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000157153776 360770884 /nfs/dbraw/zinc/77/08/84/360770884.db2.gz ZBBFMTJXAQOKNI-SJPCQFCGSA-N 2 0 275.440 1.643 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626970712 367107952 /nfs/dbraw/zinc/10/79/52/367107952.db2.gz QLQJBPVEZKDGKZ-DZGCQCFKSA-N 2 0 294.443 1.467 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001661193259 1172350816 /nfs/dbraw/zinc/35/08/16/1172350816.db2.gz UPRMAYMZTVQVPH-HOTGVXAUSA-N 2 0 291.439 1.224 10 30 CDEERP N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000528394103 367822786 /nfs/dbraw/zinc/82/27/86/367822786.db2.gz XNTZKYPEVGDUON-CVEARBPZSA-N 2 0 291.439 1.849 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529308433 368071970 /nfs/dbraw/zinc/07/19/70/368071970.db2.gz QZGHBYYJCPGGPJ-CQSZACIVSA-N 2 0 292.427 1.221 10 30 CDEERP CC[NH+](CC#CC[N@@H+](CC)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000361597553 368926909 /nfs/dbraw/zinc/92/69/09/368926909.db2.gz ZDZRYHPWFRSFJD-HZPDHXFCSA-N 2 0 280.412 1.211 10 30 CDEERP C#CC[NH+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001661723866 1172435699 /nfs/dbraw/zinc/43/56/99/1172435699.db2.gz RHQYSUIKDXCYGD-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001661747579 1172437453 /nfs/dbraw/zinc/43/74/53/1172437453.db2.gz BTIDPKLMQNFPNQ-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001662718312 1172585699 /nfs/dbraw/zinc/58/56/99/1172585699.db2.gz RIZIRKCMGXQBIK-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001663547161 1172720603 /nfs/dbraw/zinc/72/06/03/1172720603.db2.gz AMPKREHEEVAWRY-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001664760503 1172904838 /nfs/dbraw/zinc/90/48/38/1172904838.db2.gz UHTCFDCLDBIIFU-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000662729796 413391686 /nfs/dbraw/zinc/39/16/86/413391686.db2.gz XNKISAWNGCNFPD-WBVHZDCISA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)CCC[NH2+]1 ZINC000662748545 413426891 /nfs/dbraw/zinc/42/68/91/413426891.db2.gz AVFTZSCGUMMSBQ-ZBFHGGJFSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCN1CCC([NH2+]C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000038042036 174044212 /nfs/dbraw/zinc/04/42/12/174044212.db2.gz SJCRRXVARBAWNN-INIZCTEOSA-N 2 0 277.456 1.796 10 30 CDEERP C[N@H+](Cc1cc(C#CC[NH3+])cs1)C1CCOCC1 ZINC000043688934 175095647 /nfs/dbraw/zinc/09/56/47/175095647.db2.gz DHJYKOPNDWODEG-UHFFFAOYSA-N 2 0 264.394 1.669 10 30 CDEERP C#CC[NH+]1CCC(NCC[N@@H+](C)C2CCCC2)CC1 ZINC000071376995 176142158 /nfs/dbraw/zinc/14/21/58/176142158.db2.gz LKPNWVWVLZKTBX-UHFFFAOYSA-N 2 0 263.429 1.548 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001666903560 1173204639 /nfs/dbraw/zinc/20/46/39/1173204639.db2.gz UQZLVZURRDJRMM-OAHLLOKOSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[N@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662679667 424299602 /nfs/dbraw/zinc/29/96/02/424299602.db2.gz ATIZIHDANCNQBD-ZBFHGGJFSA-N 2 0 279.428 1.675 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668215206 1173382928 /nfs/dbraw/zinc/38/29/28/1173382928.db2.gz YFSBCOKQKUWHEF-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCCCC1)C1CC1 ZINC000104175745 276817462 /nfs/dbraw/zinc/81/74/62/276817462.db2.gz CLBCSTITDAVNRE-ZDUSSCGKSA-N 2 0 252.406 1.564 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001669572254 1173571206 /nfs/dbraw/zinc/57/12/06/1173571206.db2.gz SWAIZMIBIICTLP-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001669967363 1173637993 /nfs/dbraw/zinc/63/79/93/1173637993.db2.gz KNSDCKQUXIGXDR-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001672909454 1173808986 /nfs/dbraw/zinc/80/89/86/1173808986.db2.gz GOUBSMAPNFOPAS-HNNXBMFYSA-N 2 0 279.428 1.487 10 30 CDEERP C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCCC[N@@H+]2C2CC2)CCO1 ZINC000262440439 330013035 /nfs/dbraw/zinc/01/30/35/330013035.db2.gz HMGVJYXYXCIKIK-TZMCWYRMSA-N 2 0 280.416 1.039 10 30 CDEERP C[C@H]1CN(C(=[NH2+])NC[C@@H]2CCCC[N@@H+]2C2CC2)CCO1 ZINC000262440437 330013106 /nfs/dbraw/zinc/01/31/06/330013106.db2.gz HMGVJYXYXCIKIK-JSGCOSHPSA-N 2 0 280.416 1.039 10 30 CDEERP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NCC(C)(C)SC ZINC000262451520 330013978 /nfs/dbraw/zinc/01/39/78/330013978.db2.gz DUBFCEPIRWTHAV-LLVKDONJSA-N 2 0 272.462 1.387 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001691482735 1159380185 /nfs/dbraw/zinc/38/01/85/1159380185.db2.gz SPXNUWUCJPENPQ-ZNMIVQPWSA-N 2 0 281.444 1.728 10 30 CDEERP C=CCC[N@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481115315 1159531437 /nfs/dbraw/zinc/53/14/37/1159531437.db2.gz WLORIMZXDZKEJH-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001481137217 1159541076 /nfs/dbraw/zinc/54/10/76/1159541076.db2.gz GPNPFWGSELZKLP-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001672537490 1159751998 /nfs/dbraw/zinc/75/19/98/1159751998.db2.gz IKVGGUYIOQHMBL-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001270128537 1160091871 /nfs/dbraw/zinc/09/18/71/1160091871.db2.gz IHILOZKHHPVPFL-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001700712709 1177087118 /nfs/dbraw/zinc/08/71/18/1177087118.db2.gz KHZGTBPPFNSXRZ-CQSZACIVSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001483400695 1160914762 /nfs/dbraw/zinc/91/47/62/1160914762.db2.gz MYQONHHIUYYTET-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001670903779 1161347212 /nfs/dbraw/zinc/34/72/12/1161347212.db2.gz RUEXKYLPHGCSNO-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[NH+](C)CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001715539850 1179709058 /nfs/dbraw/zinc/70/90/58/1179709058.db2.gz OTFQPYQABKOAIM-GASCZTMLSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001725004071 1181822271 /nfs/dbraw/zinc/82/22/71/1181822271.db2.gz VFKHPHQHEFGKHV-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000909432310 619257960 /nfs/dbraw/zinc/25/79/60/619257960.db2.gz URJUAIMZSMJZTO-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000909436408 619262469 /nfs/dbraw/zinc/26/24/69/619262469.db2.gz MPWYXTXVTLLIPO-CQSZACIVSA-N 2 0 267.417 1.435 10 30 CDEERP C#CC1(O)CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000895380400 619618804 /nfs/dbraw/zinc/61/88/04/619618804.db2.gz PZKYPGKHQDVDMY-UHFFFAOYSA-N 2 0 281.359 1.832 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000901134342 623893029 /nfs/dbraw/zinc/89/30/29/623893029.db2.gz GOSRCYDNZWMJTL-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C[N@H+](CCN1CC[NH2+]CC1)CC1CCC(C#N)CC1 ZINC000903423377 625993854 /nfs/dbraw/zinc/99/38/54/625993854.db2.gz TUVYGXCCVMLPCE-UHFFFAOYSA-N 2 0 264.417 1.153 10 30 CDEERP C=CCCC[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491960 626010955 /nfs/dbraw/zinc/01/09/55/626010955.db2.gz HONOEGOGYVJEPH-SCRDCRAPSA-N 2 0 252.358 1.165 10 30 CDEERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H]2CC[C@H](C#N)C2)cnn1C ZINC000903929434 626150227 /nfs/dbraw/zinc/15/02/27/626150227.db2.gz FPZIHGZPHILTJB-KCQAQPDRSA-N 2 0 275.400 1.128 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000908357760 628175244 /nfs/dbraw/zinc/17/52/44/628175244.db2.gz JBHGSCHZQUINHL-CQSZACIVSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000911580047 629337953 /nfs/dbraw/zinc/33/79/53/629337953.db2.gz QHSBCZAJNWDGAY-OLZOCXBDSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913393590 630469587 /nfs/dbraw/zinc/46/95/87/630469587.db2.gz UBVMNPHUNZCQDV-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP C=CCCC[N@@H+](CC)[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000934649052 682745185 /nfs/dbraw/zinc/74/51/85/682745185.db2.gz IKZFCHDEYFMUAE-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000924376946 684222001 /nfs/dbraw/zinc/22/20/01/684222001.db2.gz HTKYEFINQRYDRJ-UHFFFAOYSA-N 2 0 279.428 1.581 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000877192653 679761628 /nfs/dbraw/zinc/76/16/28/679761628.db2.gz RKXFJCUCHLXWPV-ZDUSSCGKSA-N 2 0 299.846 1.791 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000876884674 679802304 /nfs/dbraw/zinc/80/23/04/679802304.db2.gz RNHHCHOSBJMAFE-WXRRBKDZSA-N 2 0 285.819 1.589 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CCC[NH2+]1 ZINC000852879589 679833150 /nfs/dbraw/zinc/83/31/50/679833150.db2.gz FROZUGLQCOWOOB-FUHWJXTLSA-N 2 0 299.418 1.688 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000876973314 679834006 /nfs/dbraw/zinc/83/40/06/679834006.db2.gz DCXJPJSZWSAVKP-MNOVXSKESA-N 2 0 259.781 1.057 10 30 CDEERP C#C[C@H]([NH2+]C1CC[NH+](CCC)CC1)C1CCOCC1 ZINC000827564753 679849819 /nfs/dbraw/zinc/84/98/19/679849819.db2.gz FZEKNVOBZWHNQY-INIZCTEOSA-N 2 0 264.413 1.879 10 30 CDEERP C[C@@H]1CNC(NN=C2CC[N@H+](Cc3ccccc3)C[C@H]2C)=[NH+]1 ZINC000779802573 679865163 /nfs/dbraw/zinc/86/51/63/679865163.db2.gz ITWQIZRNGLPIJB-ZIAGYGMSSA-N 2 0 299.422 1.822 10 30 CDEERP C#CCN(C)CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723665594 681534153 /nfs/dbraw/zinc/53/41/53/681534153.db2.gz ZGVOAPBTSKRCJS-OWCLPIDISA-N 2 0 264.413 1.736 10 30 CDEERP CCC[NH+]1CCC(CNC(=[NH2+])NCC(C)C)CC1 ZINC000303871633 681768835 /nfs/dbraw/zinc/76/88/35/681768835.db2.gz FZDHIJCPCIZKRC-UHFFFAOYSA-N 2 0 254.422 1.669 10 30 CDEERP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000867963371 681835233 /nfs/dbraw/zinc/83/52/33/681835233.db2.gz FXRCHNMLIUQKHF-ZBFHGGJFSA-N 2 0 298.390 1.085 10 30 CDEERP Cc1cc(C#N)cc(C)c1C[NH2+]CCOCC[NH+](C)C ZINC000922010179 682329805 /nfs/dbraw/zinc/32/98/05/682329805.db2.gz WIQXQVAVPJSSMF-UHFFFAOYSA-N 2 0 275.396 1.843 10 30 CDEERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852910606 682566753 /nfs/dbraw/zinc/56/67/53/682566753.db2.gz WSPVDWOPQSCVIA-OAHLLOKOSA-N 2 0 291.439 1.226 10 30 CDEERP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])N1CCCCC1 ZINC000104168205 682719363 /nfs/dbraw/zinc/71/93/63/682719363.db2.gz AKIAJAONGKWVGR-ZDUSSCGKSA-N 2 0 252.406 1.661 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000876526135 682821497 /nfs/dbraw/zinc/82/14/97/682821497.db2.gz SUAILNUHLAAHJB-MNOVXSKESA-N 2 0 259.781 1.057 10 30 CDEERP C#Cc1cccnc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866011273 683092449 /nfs/dbraw/zinc/09/24/49/683092449.db2.gz XZKZFABJJNXYBF-HZPDHXFCSA-N 2 0 286.423 1.239 10 30 CDEERP CCC[NH+]1CCC(CNC(=[NH2+])N(CC)CC)CC1 ZINC000303882843 683326968 /nfs/dbraw/zinc/32/69/68/683326968.db2.gz LWZXTYDMWTXFQG-UHFFFAOYSA-N 2 0 254.422 1.765 10 30 CDEERP C(CCNC1=[NH+]CCCCN1)CC[NH+]1CCCC1 ZINC000849217048 683537433 /nfs/dbraw/zinc/53/74/33/683537433.db2.gz WKQCIFIBPMBLKP-UHFFFAOYSA-N 2 0 252.406 1.582 10 30 CDEERP C=CCNC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923503027 684101783 /nfs/dbraw/zinc/10/17/83/684101783.db2.gz DRVPQJZZWWEFOQ-CQSZACIVSA-N 2 0 279.428 1.390 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001691043679 1158689295 /nfs/dbraw/zinc/68/92/95/1158689295.db2.gz VIEMMCJSVWHYBA-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001691105389 1158910512 /nfs/dbraw/zinc/91/05/12/1158910512.db2.gz BCIGUACTUUUVKF-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001267143259 1159136418 /nfs/dbraw/zinc/13/64/18/1159136418.db2.gz MBHHAKDGJNMFOS-NSHDSACASA-N 2 0 261.797 1.175 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001731372340 1159292989 /nfs/dbraw/zinc/29/29/89/1159292989.db2.gz LGAGFUGNWOOTSZ-STQMWFEESA-N 2 0 271.380 1.043 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001672531462 1159739296 /nfs/dbraw/zinc/73/92/96/1159739296.db2.gz VDEKAFLQXVYEFE-HUUCEWRRSA-N 2 0 291.439 1.580 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001270137105 1160093220 /nfs/dbraw/zinc/09/32/20/1160093220.db2.gz USNPXQKYZKSZAF-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCC1 ZINC001270813914 1160155345 /nfs/dbraw/zinc/15/53/45/1160155345.db2.gz ZFPNYDNRAIUAFC-HNNXBMFYSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691623345 1160721576 /nfs/dbraw/zinc/72/15/76/1160721576.db2.gz TWEQAZFYYMEITR-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001566912771 1168465037 /nfs/dbraw/zinc/46/50/37/1168465037.db2.gz HVIAGVRRWHDMKV-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001567713069 1168927733 /nfs/dbraw/zinc/92/77/33/1168927733.db2.gz VJHPPUMXJSUNIP-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001569066203 1169627108 /nfs/dbraw/zinc/62/71/08/1169627108.db2.gz MXWXIXPITHEAAP-ZDUSSCGKSA-N 2 0 281.444 1.920 10 30 CDEERP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001661077658 1172331439 /nfs/dbraw/zinc/33/14/39/1172331439.db2.gz FXUXJNGKSJOJPS-OAHLLOKOSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001661554595 1172405072 /nfs/dbraw/zinc/40/50/72/1172405072.db2.gz DAVSPIBIVSQAEW-JKSUJKDBSA-N 2 0 293.455 1.826 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001661792990 1172447810 /nfs/dbraw/zinc/44/78/10/1172447810.db2.gz JYOYVNXPBUMCOD-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001663397031 1172685751 /nfs/dbraw/zinc/68/57/51/1172685751.db2.gz RHJFWYZJQCUQFA-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001663393508 1172686251 /nfs/dbraw/zinc/68/62/51/1172686251.db2.gz SVLCHDCRYYAICU-VXGBXAGGSA-N 2 0 262.357 1.137 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001667058911 1173228023 /nfs/dbraw/zinc/22/80/23/1173228023.db2.gz LGYASJKTZCDDKF-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001676813612 1174277415 /nfs/dbraw/zinc/27/74/15/1174277415.db2.gz BAFXJEYANWIIMD-OFQRWUPVSA-N 2 0 277.412 1.073 10 30 CDEERP C#CCC[N@@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001691760138 1174688234 /nfs/dbraw/zinc/68/82/34/1174688234.db2.gz LHJJCKYWAMAYOQ-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC(C)(C)C1 ZINC001689366191 1175154198 /nfs/dbraw/zinc/15/41/98/1175154198.db2.gz YPWBPAMHYHEDDY-OAHLLOKOSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690788732 1175571831 /nfs/dbraw/zinc/57/18/31/1175571831.db2.gz VJJANIPFTIRPCA-CVEARBPZSA-N 2 0 291.439 1.513 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001690818238 1175580312 /nfs/dbraw/zinc/58/03/12/1175580312.db2.gz CIPOPRYHQIBSRC-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001690906849 1175607694 /nfs/dbraw/zinc/60/76/94/1175607694.db2.gz DABWODYZSRSLEU-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001698678211 1175893733 /nfs/dbraw/zinc/89/37/33/1175893733.db2.gz UPBWILCRKWXHOX-INIZCTEOSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001698766635 1175924061 /nfs/dbraw/zinc/92/40/61/1175924061.db2.gz PBGQMAPLWNJLLX-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCC1 ZINC001698797231 1175938195 /nfs/dbraw/zinc/93/81/95/1175938195.db2.gz LWQNSZGVRWTZKT-UHFFFAOYSA-N 2 0 291.439 1.513 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001698941401 1175990566 /nfs/dbraw/zinc/99/05/66/1175990566.db2.gz WTWSLHAUZQBMLX-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001699032422 1176050164 /nfs/dbraw/zinc/05/01/64/1176050164.db2.gz LVDARJOSFBKKOF-HOTGVXAUSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001699128360 1176105614 /nfs/dbraw/zinc/10/56/14/1176105614.db2.gz SYZIQQGLWXQPAZ-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699302985 1176210922 /nfs/dbraw/zinc/21/09/22/1176210922.db2.gz ROPPLKIZJUUMII-CTXXGXLOSA-N 2 0 299.846 1.731 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001699528506 1176464460 /nfs/dbraw/zinc/46/44/60/1176464460.db2.gz QXTBXPVUJAXFDU-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1 ZINC001700132798 1176763807 /nfs/dbraw/zinc/76/38/07/1176763807.db2.gz IHLILOQSBVKTQV-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+]C1(CC)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001700221584 1176803669 /nfs/dbraw/zinc/80/36/69/1176803669.db2.gz XUESNNKZFWPKTR-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001700885481 1177177428 /nfs/dbraw/zinc/17/74/28/1177177428.db2.gz POWQNHNDXISFMJ-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001700888916 1177179034 /nfs/dbraw/zinc/17/90/34/1177179034.db2.gz RORYYQXXBUXZGL-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001701024484 1177243786 /nfs/dbraw/zinc/24/37/86/1177243786.db2.gz RWKLTJGCBSLSOY-UHFFFAOYSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001707157947 1177958853 /nfs/dbraw/zinc/95/88/53/1177958853.db2.gz QALUJLJAEYMCDG-LVQVYYBASA-N 2 0 291.439 1.177 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001707255332 1177982525 /nfs/dbraw/zinc/98/25/25/1177982525.db2.gz LZZGSZDVCJTJFB-HIFRSBDPSA-N 2 0 279.428 1.626 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC=C(C)C ZINC001707383206 1178006453 /nfs/dbraw/zinc/00/64/53/1178006453.db2.gz NXQLTUUFUVLFFR-INIZCTEOSA-N 2 0 291.439 1.488 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)Cc1cnccc1OC ZINC001707457993 1178057477 /nfs/dbraw/zinc/05/74/77/1178057477.db2.gz PPJYOOSGQIXSJC-UHFFFAOYSA-N 2 0 289.379 1.094 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001714054552 1178949190 /nfs/dbraw/zinc/94/91/90/1178949190.db2.gz XAMBREVXCJQZNY-CQSZACIVSA-N 2 0 265.401 1.191 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001714073673 1178961356 /nfs/dbraw/zinc/96/13/56/1178961356.db2.gz DRSNGUCKYXSVMO-SOUVJXGZSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001714201489 1179012836 /nfs/dbraw/zinc/01/28/36/1179012836.db2.gz RCZPWDHOBGMLQO-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001714408624 1179126860 /nfs/dbraw/zinc/12/68/60/1179126860.db2.gz VIQUVWOLCKHBNY-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001714491262 1179169334 /nfs/dbraw/zinc/16/93/34/1179169334.db2.gz XUHHKNCVONGSKU-CVEARBPZSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)CC[N@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001714660493 1179306569 /nfs/dbraw/zinc/30/65/69/1179306569.db2.gz ULNGPAFFRQNWRH-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)C[NH+](C)C1CCC1)C(C)C ZINC001714823165 1179411221 /nfs/dbraw/zinc/41/12/21/1179411221.db2.gz AARCUHSJNQHKMY-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001714857174 1179423635 /nfs/dbraw/zinc/42/36/35/1179423635.db2.gz RFOSOLWGFIECQT-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)CCC[NH+](C)C)C1 ZINC001714870088 1179430032 /nfs/dbraw/zinc/43/00/32/1179430032.db2.gz NJCSPISRZMWFHI-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001715215342 1179579507 /nfs/dbraw/zinc/57/95/07/1179579507.db2.gz NDNVIMYDQXITDN-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001715258224 1179599532 /nfs/dbraw/zinc/59/95/32/1179599532.db2.gz ZZOCBZXSMGUSJB-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001715522651 1179698392 /nfs/dbraw/zinc/69/83/92/1179698392.db2.gz NYYYDLOOYRXACC-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001715665347 1179756901 /nfs/dbraw/zinc/75/69/01/1179756901.db2.gz YHBSWMHAMHECEV-OAHLLOKOSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001715836754 1179857948 /nfs/dbraw/zinc/85/79/48/1179857948.db2.gz ZNRHGCCUKPPDQS-SGFLJFKBSA-N 2 0 291.439 1.841 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC2CC2)CC1 ZINC001716377914 1180173519 /nfs/dbraw/zinc/17/35/19/1180173519.db2.gz CKJINSKHLKGYCL-ARJAWSKDSA-N 2 0 289.423 1.004 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001716667169 1180351661 /nfs/dbraw/zinc/35/16/61/1180351661.db2.gz VQEXOXXVPXUXBX-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001716824590 1180426068 /nfs/dbraw/zinc/42/60/68/1180426068.db2.gz GUTAONWABSPGMS-INIZCTEOSA-N 2 0 293.455 1.923 10 30 CDEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001717118107 1180534187 /nfs/dbraw/zinc/53/41/87/1180534187.db2.gz MAKOFZGPKKDGRH-HNNXBMFYSA-N 2 0 299.418 1.682 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001717309851 1180614743 /nfs/dbraw/zinc/61/47/43/1180614743.db2.gz VJAOXAZCYBGBGE-CQSZACIVSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001717338641 1180622604 /nfs/dbraw/zinc/62/26/04/1180622604.db2.gz XTHAHRYXZVJFBN-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001717472308 1180693410 /nfs/dbraw/zinc/69/34/10/1180693410.db2.gz KZRSCXRGDOIKSI-CABCVRRESA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001717638013 1180767059 /nfs/dbraw/zinc/76/70/59/1180767059.db2.gz SOEXMGQXZMGENJ-MGPQQGTHSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1ccnc1 ZINC001723483138 1181574690 /nfs/dbraw/zinc/57/46/90/1181574690.db2.gz GIPWAKOXNBMDJH-CYBMUJFWSA-N 2 0 262.357 1.040 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001723949023 1181625049 /nfs/dbraw/zinc/62/50/49/1181625049.db2.gz FSVRAPZYWXZEMB-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001724564032 1181694962 /nfs/dbraw/zinc/69/49/62/1181694962.db2.gz PTNVYFPJQLDYCW-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001724710473 1181731960 /nfs/dbraw/zinc/73/19/60/1181731960.db2.gz AIABVYOMTGVDTK-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[N@@H+](CC)CC1CCN(C(=O)Cn2ccnc2)CC1 ZINC001725025328 1181825022 /nfs/dbraw/zinc/82/50/22/1181825022.db2.gz FSAIENUINCXWBP-UHFFFAOYSA-N 2 0 288.395 1.077 10 30 CDEERP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001725237418 1181933522 /nfs/dbraw/zinc/93/35/22/1181933522.db2.gz BULMADKWBGACBV-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001725636353 1182079848 /nfs/dbraw/zinc/07/98/48/1182079848.db2.gz QWQBQAFNOKFEMX-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001731395135 1182357728 /nfs/dbraw/zinc/35/77/28/1182357728.db2.gz HXIWDDQLENUJHQ-HZPDHXFCSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001731478388 1182410175 /nfs/dbraw/zinc/41/01/75/1182410175.db2.gz BFFSCPPUXYIXSE-BETUJISGSA-N 2 0 265.401 1.284 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001731504962 1182423469 /nfs/dbraw/zinc/42/34/69/1182423469.db2.gz ISRHDLUETMFKPR-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001731531725 1182437399 /nfs/dbraw/zinc/43/73/99/1182437399.db2.gz QRORPEJHNLWNRU-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC(=C)C ZINC001731805333 1182596474 /nfs/dbraw/zinc/59/64/74/1182596474.db2.gz XLNGUZFKYXFOMO-HNNXBMFYSA-N 2 0 277.412 1.098 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001732234661 1182873560 /nfs/dbraw/zinc/87/35/60/1182873560.db2.gz PRTKCWKYXGRWLM-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001732490323 1182988588 /nfs/dbraw/zinc/98/85/88/1182988588.db2.gz WOFJDUJTSWPODM-HOCLYGCPSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001733200419 1183327111 /nfs/dbraw/zinc/32/71/11/1183327111.db2.gz QXRBDVQVBFIPLF-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001734020984 1183616560 /nfs/dbraw/zinc/61/65/60/1183616560.db2.gz WBHXCRZOOKUGTK-UHFFFAOYSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001734346092 1183742201 /nfs/dbraw/zinc/74/22/01/1183742201.db2.gz JKYRJMXCUQDHJQ-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001734421506 1183773482 /nfs/dbraw/zinc/77/34/82/1183773482.db2.gz GYVNIFJDQNLPPU-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001734601634 1183841152 /nfs/dbraw/zinc/84/11/52/1183841152.db2.gz SOTBXZZDLOJHNQ-UHFFFAOYSA-N 2 0 277.412 1.237 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001618273083 1165627207 /nfs/dbraw/zinc/62/72/07/1165627207.db2.gz HONOFPJJFILVQA-CHWSQXEVSA-N 2 0 253.390 1.045 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001566703876 1168033856 /nfs/dbraw/zinc/03/38/56/1168033856.db2.gz DAVOQDRNCVIOSU-ZIAGYGMSSA-N 2 0 265.401 1.141 10 30 CDEERP C#CC[N@H+]1CCC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001566878793 1168039562 /nfs/dbraw/zinc/03/95/62/1168039562.db2.gz HAUWLJLUVXLIRU-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001567432695 1168755071 /nfs/dbraw/zinc/75/50/71/1168755071.db2.gz KXOQPIWQRYUNOY-INIZCTEOSA-N 2 0 279.428 1.487 10 30 CDEERP C=C(C)CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001567449264 1168770197 /nfs/dbraw/zinc/77/01/97/1168770197.db2.gz RXYCGKFSSVDGJN-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266632615 895631647 /nfs/dbraw/zinc/63/16/47/895631647.db2.gz LCETWAMCWFRDKQ-HDJSIYSDSA-N 2 0 277.412 1.285 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001266865379 896231603 /nfs/dbraw/zinc/23/16/03/896231603.db2.gz UCBJKUSEGJBELI-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001266880154 896269191 /nfs/dbraw/zinc/26/91/91/896269191.db2.gz HICPIBPQTCCYIX-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001266939444 896398572 /nfs/dbraw/zinc/39/85/72/896398572.db2.gz IDSYYEWERYQFOE-QLFBSQMISA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001266976564 896476034 /nfs/dbraw/zinc/47/60/34/896476034.db2.gz XQRDJXLXWVBWDA-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001266983995 896497511 /nfs/dbraw/zinc/49/75/11/896497511.db2.gz QIAFOEQVPFUZQB-CQSZACIVSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267157236 896949030 /nfs/dbraw/zinc/94/90/30/896949030.db2.gz KHTALAOCTOMKLM-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001272616722 914181236 /nfs/dbraw/zinc/18/12/36/914181236.db2.gz OHHBOQMICVCNGE-AWEZNQCLSA-N 2 0 277.412 1.096 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001267457348 897937951 /nfs/dbraw/zinc/93/79/51/897937951.db2.gz XGIHKCKGUGFMDD-NSHDSACASA-N 2 0 261.797 1.127 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001480951392 898113440 /nfs/dbraw/zinc/11/34/40/898113440.db2.gz ZQOAODQFLROREJ-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001267571553 898442645 /nfs/dbraw/zinc/44/26/45/898442645.db2.gz NSZKZUIMTAOKIH-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001481041595 898660849 /nfs/dbraw/zinc/66/08/49/898660849.db2.gz IJYDJCVANPEWFF-CABCVRRESA-N 2 0 299.434 1.823 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001481229309 899513295 /nfs/dbraw/zinc/51/32/95/899513295.db2.gz RFINVDHZHFPOGX-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001267830697 899832966 /nfs/dbraw/zinc/83/29/66/899832966.db2.gz GHVNYMDCDTUPHM-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001267926733 899989979 /nfs/dbraw/zinc/98/99/79/899989979.db2.gz WLCKSDVYWMWBDW-HDJSIYSDSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567714560 1168932364 /nfs/dbraw/zinc/93/23/64/1168932364.db2.gz OFOSRUWPRXHBHM-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001481488174 900903246 /nfs/dbraw/zinc/90/32/46/900903246.db2.gz PCGVSZYOJLTGAO-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268106409 901304866 /nfs/dbraw/zinc/30/48/66/901304866.db2.gz UEWWKYFSELLORE-HOTGVXAUSA-N 2 0 293.455 1.613 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001481988397 902440468 /nfs/dbraw/zinc/44/04/68/902440468.db2.gz QICWZFFTOSARKS-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001268810962 903146235 /nfs/dbraw/zinc/14/62/35/903146235.db2.gz QYJWSLCGZQBPDT-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001270420256 904624305 /nfs/dbraw/zinc/62/43/05/904624305.db2.gz RHLWENAHNNRCFA-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001482297176 904730442 /nfs/dbraw/zinc/73/04/42/904730442.db2.gz BTGHXSXNQAVPTH-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001270623662 904825271 /nfs/dbraw/zinc/82/52/71/904825271.db2.gz JFZGSGORQFTMMW-MRXNPFEDSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](CC)[NH+](C)C ZINC001482393896 905291434 /nfs/dbraw/zinc/29/14/34/905291434.db2.gz SKPFSEYALDISRT-CABCVRRESA-N 2 0 281.444 1.470 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001271059126 905598508 /nfs/dbraw/zinc/59/85/08/905598508.db2.gz HITRSZXTCVYKKF-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001482499402 906675932 /nfs/dbraw/zinc/67/59/32/906675932.db2.gz QAXRBZVGTQGLSG-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001482666528 908161461 /nfs/dbraw/zinc/16/14/61/908161461.db2.gz PRZHZUWBZIANGT-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001568000344 1169113062 /nfs/dbraw/zinc/11/30/62/1169113062.db2.gz OUSHFLUCTXCASP-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001483448657 911133588 /nfs/dbraw/zinc/13/35/88/911133588.db2.gz XJXHNMGYEMFZLU-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)CC[NH+](C)C ZINC001272675052 914972750 /nfs/dbraw/zinc/97/27/50/914972750.db2.gz FKYVNJAWVYQZTE-UHFFFAOYSA-N 2 0 289.423 1.872 10 30 CDEERP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001483846308 915106288 /nfs/dbraw/zinc/10/62/88/915106288.db2.gz GHRGEUHCSVZDNG-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001483936756 915211520 /nfs/dbraw/zinc/21/15/20/915211520.db2.gz UMFXFKOKJSDKCW-HNNXBMFYSA-N 2 0 291.439 1.772 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001483946845 915225285 /nfs/dbraw/zinc/22/52/85/915225285.db2.gz LAIKKYNMFUOZSN-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001485157395 916610611 /nfs/dbraw/zinc/61/06/11/916610611.db2.gz KZKIWJHZTCPDKZ-NWDGAFQWSA-N 2 0 287.835 1.706 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001485340973 916856775 /nfs/dbraw/zinc/85/67/75/916856775.db2.gz AJJHWCAHCXRIQQ-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001485821425 918077350 /nfs/dbraw/zinc/07/73/50/918077350.db2.gz ZYQFRAWQXXJGRU-CABCVRRESA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001273523713 920102948 /nfs/dbraw/zinc/10/29/48/920102948.db2.gz CZYFNIVCEYGMML-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001486086314 920686487 /nfs/dbraw/zinc/68/64/87/920686487.db2.gz VYCRLLVOIHWJNK-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001568321249 1169243573 /nfs/dbraw/zinc/24/35/73/1169243573.db2.gz XLTOGMBDNWRINU-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001568325835 1169247165 /nfs/dbraw/zinc/24/71/65/1169247165.db2.gz QTWVAIGCVXJDGC-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001491238133 936881002 /nfs/dbraw/zinc/88/10/02/936881002.db2.gz YZIOFVWNOAOHID-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH+](CCCNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001490377115 927140664 /nfs/dbraw/zinc/14/06/64/927140664.db2.gz UKMOZRGVXGBUQE-UHFFFAOYSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001274278786 931487290 /nfs/dbraw/zinc/48/72/90/931487290.db2.gz BRQJMWJAYDNMPB-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274888554 931599714 /nfs/dbraw/zinc/59/97/14/931599714.db2.gz OORDQQUXHANDIP-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001274943947 931614253 /nfs/dbraw/zinc/61/42/53/931614253.db2.gz KDPOERVNBZKWKN-CABCVRRESA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001568630485 1169406614 /nfs/dbraw/zinc/40/66/14/1169406614.db2.gz DSMBTPVCCWAZKR-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001122108324 937905911 /nfs/dbraw/zinc/90/59/11/937905911.db2.gz NYJKVERQOFALPM-UONOGXRCSA-N 2 0 267.417 1.469 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001122494946 937937142 /nfs/dbraw/zinc/93/71/42/937937142.db2.gz MJVZDVLWYMPDMO-OLZOCXBDSA-N 2 0 253.390 1.176 10 30 CDEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001276422311 939706106 /nfs/dbraw/zinc/70/61/06/939706106.db2.gz QHAMPSLFZLSOCO-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[N@@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001280832593 940438275 /nfs/dbraw/zinc/43/82/75/940438275.db2.gz NNNFVBDLEFNGBH-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001276717569 940855283 /nfs/dbraw/zinc/85/52/83/940855283.db2.gz PXMZKAZNVYPOHV-XQLPTFJDSA-N 2 0 279.428 1.197 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001276867779 941661392 /nfs/dbraw/zinc/66/13/92/941661392.db2.gz UFNYMDYIYVKUGY-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](C)CC)CC1 ZINC001277079663 941922006 /nfs/dbraw/zinc/92/20/06/941922006.db2.gz JGBVKSLUYDOHJM-CABCVRRESA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001281663259 942604847 /nfs/dbraw/zinc/60/48/47/942604847.db2.gz BRMYCSIZJHKYMR-ZIAGYGMSSA-N 2 0 279.428 1.626 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001316623001 942769686 /nfs/dbraw/zinc/76/96/86/942769686.db2.gz RXBOHBFOVWYGHW-ZNMIVQPWSA-N 2 0 279.428 1.080 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283556432 942932115 /nfs/dbraw/zinc/93/21/15/942932115.db2.gz LWRYHDLSKZHSFO-HUUCEWRRSA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001277576067 943025971 /nfs/dbraw/zinc/02/59/71/943025971.db2.gz DJEUCGHVYZEUDW-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001277598372 943090259 /nfs/dbraw/zinc/09/02/59/943090259.db2.gz QGCKCQPCIBGSPM-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001284950067 943298103 /nfs/dbraw/zinc/29/81/03/943298103.db2.gz ZEJGZVGLXMLMFB-UHFFFAOYSA-N 2 0 289.423 1.100 10 30 CDEERP C=CCC[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001265590560 944440816 /nfs/dbraw/zinc/44/08/16/944440816.db2.gz CHXOQZUBPGORDB-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001265822984 944525600 /nfs/dbraw/zinc/52/56/00/944525600.db2.gz BNMZDDSMARVGIA-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001266110594 944686424 /nfs/dbraw/zinc/68/64/24/944686424.db2.gz LBMBWEGSWKAQMH-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001266117471 944694059 /nfs/dbraw/zinc/69/40/59/944694059.db2.gz UEYNKKMWFFLNHM-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001266149487 944715107 /nfs/dbraw/zinc/71/51/07/944715107.db2.gz XJVAVUZCEJSFIB-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001266195805 944745777 /nfs/dbraw/zinc/74/57/77/944745777.db2.gz ZVRLOJCWTBBTQC-AWEZNQCLSA-N 2 0 267.417 1.435 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001279329397 944794070 /nfs/dbraw/zinc/79/40/70/944794070.db2.gz UTJUWWMKMCVCQQ-UHFFFAOYSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001278995296 948538988 /nfs/dbraw/zinc/53/89/88/948538988.db2.gz DZCYGBVAGOIJDC-ZDUSSCGKSA-N 2 0 269.433 1.635 10 30 CDEERP C[NH+](C)CC#CC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724024455 948564240 /nfs/dbraw/zinc/56/42/40/948564240.db2.gz RBSOMZZNXFOETF-SECBINFHSA-N 2 0 288.260 1.090 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001480050301 971555528 /nfs/dbraw/zinc/55/55/28/971555528.db2.gz IJUQYZMIODAYHZ-MRXNPFEDSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CCC=C)CC1 ZINC001480813837 971890724 /nfs/dbraw/zinc/89/07/24/971890724.db2.gz MNXLIRUIDYXISB-OAHLLOKOSA-N 2 0 291.439 1.392 10 30 CDEERP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001324648081 953494921 /nfs/dbraw/zinc/49/49/21/953494921.db2.gz SJWHXBHZSOGBHB-GOEBONIOSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001324826932 953595284 /nfs/dbraw/zinc/59/52/84/953595284.db2.gz TZOWJEXEXGUCSC-GDBMZVCRSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001493231574 971990444 /nfs/dbraw/zinc/99/04/44/971990444.db2.gz XQEIAQROGVNSCC-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001326285160 954302660 /nfs/dbraw/zinc/30/26/60/954302660.db2.gz AXNHJBQYXBDTRQ-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)CCCC[NH+]2CCCC2)CCC1 ZINC001326937032 954627223 /nfs/dbraw/zinc/62/72/23/954627223.db2.gz FYTBMQGNSFZBKS-UHFFFAOYSA-N 2 0 291.439 1.514 10 30 CDEERP C#CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001493375457 972035827 /nfs/dbraw/zinc/03/58/27/972035827.db2.gz IFNWXGWZBJXHBA-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001297373053 955017372 /nfs/dbraw/zinc/01/73/72/955017372.db2.gz MCSYSCVUQFSSSP-UHFFFAOYSA-N 2 0 265.401 1.049 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001327969430 955137339 /nfs/dbraw/zinc/13/73/39/955137339.db2.gz HYXQQUIDDSOPBI-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001328005105 955157461 /nfs/dbraw/zinc/15/74/61/955157461.db2.gz XYEOEGXPPQOLHU-UHFFFAOYSA-N 2 0 291.439 1.772 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001329110426 955691352 /nfs/dbraw/zinc/69/13/52/955691352.db2.gz OMDASVMJOCUBHU-OLZOCXBDSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001492423215 955882201 /nfs/dbraw/zinc/88/22/01/955882201.db2.gz NIOHUPWBIZCYIY-MRXNPFEDSA-N 2 0 297.418 1.270 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001494021973 972164147 /nfs/dbraw/zinc/16/41/47/972164147.db2.gz QCHGMUNUGGPBHS-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001422989521 956494754 /nfs/dbraw/zinc/49/47/54/956494754.db2.gz BMTIDDXKJGDZLO-CQSZACIVSA-N 2 0 299.846 1.661 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001340165502 956703169 /nfs/dbraw/zinc/70/31/69/956703169.db2.gz VJGXNXJNWUIZKY-ZFWWWQNUSA-N 2 0 265.401 1.272 10 30 CDEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316775037 957008320 /nfs/dbraw/zinc/00/83/20/957008320.db2.gz PGNSPBADJUDELY-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001316992294 957187064 /nfs/dbraw/zinc/18/70/64/957187064.db2.gz YXUVIBJBCHMGBB-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317062898 957238303 /nfs/dbraw/zinc/23/83/03/957238303.db2.gz UPTBUSZBEZAXHZ-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317078999 957254365 /nfs/dbraw/zinc/25/43/65/957254365.db2.gz URVWWYLURBIDTD-BZUAXINKSA-N 2 0 291.439 1.531 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317304009 957413546 /nfs/dbraw/zinc/41/35/46/957413546.db2.gz MBBWMOYKDTUUSW-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317339977 957428891 /nfs/dbraw/zinc/42/88/91/957428891.db2.gz PNOPLIMSAVZZER-OAHLLOKOSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001317533716 957533435 /nfs/dbraw/zinc/53/34/35/957533435.db2.gz WWLFOHYLTZUVHL-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[N@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317540257 957537250 /nfs/dbraw/zinc/53/72/50/957537250.db2.gz HLLHSRWUFOZFQE-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001317811967 957676121 /nfs/dbraw/zinc/67/61/21/957676121.db2.gz SVEVUZPARNNVBL-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)C[NH+](CC)CC ZINC001318201445 957975712 /nfs/dbraw/zinc/97/57/12/957975712.db2.gz ODDNLWGOQYNZJN-SOUVJXGZSA-N 2 0 297.418 1.528 10 30 CDEERP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001318727797 958246154 /nfs/dbraw/zinc/24/61/54/958246154.db2.gz MZMYIAMLAZCRKM-XJKSGUPXSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[N@H+]1CC=C(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001333459067 958354700 /nfs/dbraw/zinc/35/47/00/958354700.db2.gz WTDYPKYAAHMZFV-UHFFFAOYSA-N 2 0 289.423 1.244 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001319642865 958669364 /nfs/dbraw/zinc/66/93/64/958669364.db2.gz KYJJBNHQZKZSJS-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001319789713 958726603 /nfs/dbraw/zinc/72/66/03/958726603.db2.gz AVNYTNGVZWAFLJ-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001495236694 972455001 /nfs/dbraw/zinc/45/50/01/972455001.db2.gz YHPYUCLGPDRBAH-NVXWUHKLSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001321878953 960000618 /nfs/dbraw/zinc/00/06/18/960000618.db2.gz VXEZLMBURROSBJ-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001322281774 960165827 /nfs/dbraw/zinc/16/58/27/960165827.db2.gz RECVSEQCXHRUOI-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C[N@@H+]1CCC[C@H]1CNC(NC(C)(C)C)=[NH+]C[C@@H]1CCOC1 ZINC001336670076 960455156 /nfs/dbraw/zinc/45/51/56/960455156.db2.gz VDXPKIQGJYBUIC-KBPBESRZSA-N 2 0 296.459 1.451 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001495536074 972531868 /nfs/dbraw/zinc/53/18/68/972531868.db2.gz ORTPVCMWMZVCGO-MRXNPFEDSA-N 2 0 293.455 1.424 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001324005250 961102979 /nfs/dbraw/zinc/10/29/79/961102979.db2.gz HULWYHWHYBTOGH-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001419568632 961825782 /nfs/dbraw/zinc/82/57/82/961825782.db2.gz OXUPORNRORAVNS-ZIAGYGMSSA-N 2 0 299.846 1.519 10 30 CDEERP C#CC[NH2+]CC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001341580457 963470440 /nfs/dbraw/zinc/47/04/40/963470440.db2.gz WLUPTMAUVKOWTK-GDBMZVCRSA-N 2 0 291.439 1.355 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001569401849 1169860143 /nfs/dbraw/zinc/86/01/43/1169860143.db2.gz HRLVSKYZRFMMDJ-CYBMUJFWSA-N 2 0 265.401 1.285 10 30 CDEERP C#CCN1CCC[C@@H](NC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001558328634 965267733 /nfs/dbraw/zinc/26/77/33/965267733.db2.gz CLGGTHGBLCMQGP-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001522262961 970415505 /nfs/dbraw/zinc/41/55/05/970415505.db2.gz DCSOHPGNSWRSNU-CHWSQXEVSA-N 2 0 253.390 1.400 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001497660319 973454296 /nfs/dbraw/zinc/45/42/96/973454296.db2.gz DNLBRJGUYRRRDB-JFDDCEBESA-N 2 0 293.455 1.947 10 30 CDEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500520115 974447433 /nfs/dbraw/zinc/44/74/33/974447433.db2.gz YYBYPYSSXABKHS-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001501968330 974665857 /nfs/dbraw/zinc/66/58/57/974665857.db2.gz LVLWUSUFHJSANV-ZDUSSCGKSA-N 2 0 265.401 1.285 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001502968533 974806092 /nfs/dbraw/zinc/80/60/92/974806092.db2.gz MMZFKSLDMOQNOI-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001505455496 974885552 /nfs/dbraw/zinc/88/55/52/974885552.db2.gz BQSZKYYBZVRAPE-HUUCEWRRSA-N 2 0 281.444 1.826 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCCF)CC1 ZINC001505760788 974985166 /nfs/dbraw/zinc/98/51/66/974985166.db2.gz OZUAKIPYDPYURK-UONOGXRCSA-N 2 0 297.418 1.174 10 30 CDEERP C#CCC[NH+]1CC([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001506666466 975200236 /nfs/dbraw/zinc/20/02/36/975200236.db2.gz QAJRLBPQUAMEJZ-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001506751472 975216640 /nfs/dbraw/zinc/21/66/40/975216640.db2.gz VFYPFANMYORFNX-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390718804 976452817 /nfs/dbraw/zinc/45/28/17/976452817.db2.gz KYMAERBFIRRIDX-NWDGAFQWSA-N 2 0 273.808 1.175 10 30 CDEERP C=C(Cl)CN1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001399929246 976753308 /nfs/dbraw/zinc/75/33/08/976753308.db2.gz HGJSLWYKKGPUMN-GXTWGEPZSA-N 2 0 299.846 1.519 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001392014654 977182169 /nfs/dbraw/zinc/18/21/69/977182169.db2.gz SCZPOPHWQJFQKG-UHFFFAOYSA-N 2 0 287.835 1.709 10 30 CDEERP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001674157003 1173920755 /nfs/dbraw/zinc/92/07/55/1173920755.db2.gz YQEFRQYHJLXYAF-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001674674500 1173985663 /nfs/dbraw/zinc/98/56/63/1173985663.db2.gz SXLCPFDYBAGZDD-KBPBESRZSA-N 2 0 281.444 1.920 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001675504057 1174121186 /nfs/dbraw/zinc/12/11/86/1174121186.db2.gz IWTLHQGTXZSSAZ-JONQDZQNSA-N 2 0 291.439 1.341 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001676695756 1174256599 /nfs/dbraw/zinc/25/65/99/1174256599.db2.gz YRZDCLYXQJQUHX-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001571486360 1170450818 /nfs/dbraw/zinc/45/08/18/1170450818.db2.gz CWJQBNFILUAHDI-UONOGXRCSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001656150789 1171780273 /nfs/dbraw/zinc/78/02/73/1171780273.db2.gz UTYBZVGRUYEZSM-GASCZTMLSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001656957476 1171904947 /nfs/dbraw/zinc/90/49/47/1171904947.db2.gz RDLMKDOYWAPADA-ILXRZTDVSA-N 2 0 297.418 1.269 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000592504166 342706449 /nfs/dbraw/zinc/70/64/49/342706449.db2.gz NSDOUKCFDNSTRZ-CQSZACIVSA-N 2 0 280.416 1.030 10 30 CDEERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437667 342906055 /nfs/dbraw/zinc/90/60/55/342906055.db2.gz KKQYZAZONYWSMF-OLZOCXBDSA-N 2 0 268.405 1.244 10 30 CDEERP C[NH2+]Cc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594444601 342908388 /nfs/dbraw/zinc/90/83/88/342908388.db2.gz VGDWHPCNKPOOIN-AWEZNQCLSA-N 2 0 274.368 1.756 10 30 CDEERP C[NH+]1CCC(CC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600724489 342244971 /nfs/dbraw/zinc/24/49/71/342244971.db2.gz URQPNVQBNHIZSF-CQSZACIVSA-N 2 0 265.401 1.363 10 30 CDEERP N#CCN1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000594927081 342973890 /nfs/dbraw/zinc/97/38/90/342973890.db2.gz UETNBEHLMKXXAM-UHFFFAOYSA-N 2 0 296.378 1.345 10 30 CDEERP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000598727864 343886770 /nfs/dbraw/zinc/88/67/70/343886770.db2.gz KNNZQGKGMXABGO-AWEZNQCLSA-N 2 0 272.352 1.725 10 30 CDEERP C[NH+](C)CC1CC[NH+](C[C@@]2(C=O)CCCOC2)CC1 ZINC000104323079 185968835 /nfs/dbraw/zinc/96/88/35/185968835.db2.gz BRCLYZVFXDNGAN-OAHLLOKOSA-N 2 0 268.401 1.256 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001660447669 1172217032 /nfs/dbraw/zinc/21/70/32/1172217032.db2.gz RXHNJYJZNOKEIT-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001661136472 1172341779 /nfs/dbraw/zinc/34/17/79/1172341779.db2.gz KDJWFGYKKCXDAO-HNNXBMFYSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001661231466 1172357111 /nfs/dbraw/zinc/35/71/11/1172357111.db2.gz LNTMLOBNRKTIHO-OAHLLOKOSA-N 2 0 291.439 1.439 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001661748040 1172439535 /nfs/dbraw/zinc/43/95/35/1172439535.db2.gz LERIXYLPKUWBAE-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001662099859 1172484553 /nfs/dbraw/zinc/48/45/53/1172484553.db2.gz SWGRZNFGNMIIQN-YMAMQOFZSA-N 2 0 277.412 1.121 10 30 CDEERP CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123571681 375845885 /nfs/dbraw/zinc/84/58/85/375845885.db2.gz AOKZQNIXUKJQHW-FMKPAKJESA-N 2 0 294.443 1.455 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001662639351 1172573793 /nfs/dbraw/zinc/57/37/93/1172573793.db2.gz AFUIOPNQNDQYJC-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001662675081 1172579832 /nfs/dbraw/zinc/57/98/32/1172579832.db2.gz FNYMUCHVKAARLH-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#Cc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000289281881 197283799 /nfs/dbraw/zinc/28/37/99/197283799.db2.gz OSKWTUAZTIIMMS-UHFFFAOYSA-N 2 0 272.392 1.870 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H](C[NH3+])CCCC)CCC[NH2+]1 ZINC000662431924 413012530 /nfs/dbraw/zinc/01/25/30/413012530.db2.gz NNEFENVMGAXTLU-JSGCOSHPSA-N 2 0 253.390 1.318 10 30 CDEERP N#CCCOCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000339139108 391257079 /nfs/dbraw/zinc/25/70/79/391257079.db2.gz AOKLCWNQDXPNJB-HDICACEKSA-N 2 0 299.418 1.980 10 30 CDEERP C#CCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000375840371 391201191 /nfs/dbraw/zinc/20/11/91/391201191.db2.gz PCCDEKRQWAPDJO-BFHYXJOUSA-N 2 0 252.427 1.815 10 30 CDEERP C=C(C)C[N@H+](CCC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001663665079 1172744762 /nfs/dbraw/zinc/74/47/62/1172744762.db2.gz YHRAALQJTCCGMJ-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[C@@]1(C(=O)NC2CC[NH+](C3CC3)CC2)CCC[NH2+]1 ZINC000662671737 413286377 /nfs/dbraw/zinc/28/63/77/413286377.db2.gz RHDFGNLMMSKASR-INIZCTEOSA-N 2 0 277.412 1.428 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000662700342 413339464 /nfs/dbraw/zinc/33/94/64/413339464.db2.gz HLXZIXQZMJZBPK-ZFWWWQNUSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[C@]1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662720211 413380037 /nfs/dbraw/zinc/38/00/37/413380037.db2.gz WBZVCGJHEPEVBI-GOEBONIOSA-N 2 0 277.412 1.380 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001665720625 1173047170 /nfs/dbraw/zinc/04/71/70/1173047170.db2.gz LDRDKFWNHLFGPJ-HUUCEWRRSA-N 2 0 281.444 1.826 10 30 CDEERP N#Cc1ccc(OCC[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044530067 175194828 /nfs/dbraw/zinc/19/48/28/175194828.db2.gz UCTFWTMAHSWHAE-CQSZACIVSA-N 2 0 259.353 1.608 10 30 CDEERP C(#Cc1ccccc1)C[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001665826100 1173069304 /nfs/dbraw/zinc/06/93/04/1173069304.db2.gz AWRSISZXMVDFFH-QGZVFWFLSA-N 2 0 254.377 1.970 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001666486663 1173139009 /nfs/dbraw/zinc/13/90/09/1173139009.db2.gz RRMDTJCMMLJBRO-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662682236 424311010 /nfs/dbraw/zinc/31/10/10/424311010.db2.gz OXSRYXBJNPTEFX-CZUORRHYSA-N 2 0 277.412 1.285 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001667566425 1173292034 /nfs/dbraw/zinc/29/20/34/1173292034.db2.gz QZNCRMZOTVLVOQ-OAHLLOKOSA-N 2 0 279.428 1.295 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001668059161 1173363175 /nfs/dbraw/zinc/36/31/75/1173363175.db2.gz AXTLUINKYXSJSA-HOCLYGCPSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001670042144 1173648799 /nfs/dbraw/zinc/64/87/99/1173648799.db2.gz TYYVOVXLODRFHX-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001671915970 1173722768 /nfs/dbraw/zinc/72/27/68/1173722768.db2.gz CFBCYGUMPHWQRL-NVXWUHKLSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414718557 328216673 /nfs/dbraw/zinc/21/66/73/328216673.db2.gz ZIRPLISXLTXVTJ-CYBMUJFWSA-N 2 0 253.390 1.082 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414718559 328216739 /nfs/dbraw/zinc/21/67/39/328216739.db2.gz ZIRPLISXLTXVTJ-ZDUSSCGKSA-N 2 0 253.390 1.082 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001673306415 1173843641 /nfs/dbraw/zinc/84/36/41/1173843641.db2.gz WGBWKYSYAUWPIN-HNNXBMFYSA-N 2 0 297.443 1.111 10 30 CDEERP CC#CC[NH2+]C1(CC)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001673609886 1173872137 /nfs/dbraw/zinc/87/21/37/1173872137.db2.gz JYWVVFJQRXCMCN-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000171721735 329079241 /nfs/dbraw/zinc/07/92/41/329079241.db2.gz GKXHDBOXVQQKHB-OAHLLOKOSA-N 2 0 294.443 1.420 10 30 CDEERP [NH2+]=C(NCC1([NH+]2CCSCC2)CCCCC1)NC1CC1 ZINC000262345217 330007169 /nfs/dbraw/zinc/00/71/69/330007169.db2.gz ZSHFJDYIQSVGAB-UHFFFAOYSA-N 2 0 296.484 1.805 10 30 CDEERP C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000262427182 330009808 /nfs/dbraw/zinc/00/98/08/330009808.db2.gz CZCACYIHYOONCJ-MGPQQGTHSA-N 2 0 282.432 1.285 10 30 CDEERP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262476440 330016089 /nfs/dbraw/zinc/01/60/89/330016089.db2.gz QHKZFGCMXDBSFP-HUUCEWRRSA-N 2 0 296.459 1.532 10 30 CDEERP C[C@@H]1CN(C(=[NH2+])NC2CC([NH+]3CCCCC3)C2)CCO1 ZINC000262475567 330016150 /nfs/dbraw/zinc/01/61/50/330016150.db2.gz PXYGHOGXUXLNFO-IYXRBSQSSA-N 2 0 280.416 1.039 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001691691725 1161571145 /nfs/dbraw/zinc/57/11/45/1161571145.db2.gz CXGZLCBYKNZVEI-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001717862050 1180900989 /nfs/dbraw/zinc/90/09/89/1180900989.db2.gz DZMQHDSEVLHSAH-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001733009800 1183235942 /nfs/dbraw/zinc/23/59/42/1183235942.db2.gz OFVCXLHMPPJICW-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001733469236 1183441809 /nfs/dbraw/zinc/44/18/09/1183441809.db2.gz VRHXPRVNUDGXIB-MRXNPFEDSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001734305894 1183721120 /nfs/dbraw/zinc/72/11/20/1183721120.db2.gz XUZGBHUEOQSSLW-AWEZNQCLSA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001689808203 1175263996 /nfs/dbraw/zinc/26/39/96/1175263996.db2.gz YZMCIWLXPBMKNY-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941158742 613259779 /nfs/dbraw/zinc/25/97/79/613259779.db2.gz UZLNINXMTNSIKC-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941031514 613742340 /nfs/dbraw/zinc/74/23/40/613742340.db2.gz AFBZPIWXCVVVMP-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000925609504 617553835 /nfs/dbraw/zinc/55/38/35/617553835.db2.gz UWMAFHXJGLKIFI-GXTWGEPZSA-N 2 0 264.417 1.470 10 30 CDEERP C[N@@H+]1C[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@]2(C)C1 ZINC000933740904 617604125 /nfs/dbraw/zinc/60/41/25/617604125.db2.gz PEUIPHDXKHXEQA-WBVHZDCISA-N 2 0 285.391 1.972 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000900589002 623264592 /nfs/dbraw/zinc/26/45/92/623264592.db2.gz UQUOGJJMGGUHQB-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000900832707 623548932 /nfs/dbraw/zinc/54/89/32/623548932.db2.gz UUOXCHOPCSLCJX-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000901104593 623887014 /nfs/dbraw/zinc/88/70/14/623887014.db2.gz NCLBMEFKAWIARU-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000912400983 629987001 /nfs/dbraw/zinc/98/70/01/629987001.db2.gz PZKJAMPIWPNABR-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C[N@@H+]1CCC[C@H]1CNC(NC[C@H]1CCCO1)=[NH+]C(C)(C)C ZINC000912509239 630049560 /nfs/dbraw/zinc/04/95/60/630049560.db2.gz YFUPLFKUQVANAF-UONOGXRCSA-N 2 0 296.459 1.593 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)C[NH+](C)C1CCC1 ZINC001691023567 1158538792 /nfs/dbraw/zinc/53/87/92/1158538792.db2.gz JSTGMJKJFYHKRR-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261941707 684550510 /nfs/dbraw/zinc/55/05/10/684550510.db2.gz DRDOTZBYDKVKBI-LJISPDSOSA-N 2 0 280.460 1.926 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000928654129 684642616 /nfs/dbraw/zinc/64/26/16/684642616.db2.gz OKJMRJVAFVPWID-CYBMUJFWSA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863032175 684759301 /nfs/dbraw/zinc/75/93/01/684759301.db2.gz MQEDKEPLJDTLHZ-AWEZNQCLSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)[C@@H](CO)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286621 684814431 /nfs/dbraw/zinc/81/44/31/684814431.db2.gz LOEVGCUKNHZERC-OAHLLOKOSA-N 2 0 268.401 1.110 10 30 CDEERP N#CCc1cccc2c1CC[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923412560 684843666 /nfs/dbraw/zinc/84/36/66/684843666.db2.gz ZWDKBQXEKWIZNQ-INIZCTEOSA-N 2 0 297.402 1.489 10 30 CDEERP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000852358146 684862497 /nfs/dbraw/zinc/86/24/97/684862497.db2.gz NRCLOELMUYBDKE-CQSZACIVSA-N 2 0 294.443 1.114 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1c1ccccc1 ZINC000303792256 684880581 /nfs/dbraw/zinc/88/05/81/684880581.db2.gz YIPZTCBNKZGBCY-OAGGEKHMSA-N 2 0 286.423 1.931 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C2CCC2)CC1 ZINC000876765622 685065498 /nfs/dbraw/zinc/06/54/98/685065498.db2.gz URIFMZWADTXDJS-GFCCVEGCSA-N 2 0 271.792 1.153 10 30 CDEERP C[NH+]=C(NCC(F)F)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000262012720 685851595 /nfs/dbraw/zinc/85/15/95/685851595.db2.gz XBJNTMNQXZRILF-NXEZZACHSA-N 2 0 262.348 1.145 10 30 CDEERP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925654890 685905463 /nfs/dbraw/zinc/90/54/63/685905463.db2.gz HIRNSALCEFOCDF-MCIONIFRSA-N 2 0 250.386 1.842 10 30 CDEERP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000198930389 686538281 /nfs/dbraw/zinc/53/82/81/686538281.db2.gz XVELLNWIAHWXMM-LBPRGKRZSA-N 2 0 252.406 1.565 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000837857696 686730528 /nfs/dbraw/zinc/73/05/28/686730528.db2.gz VZCGIGKMFMIMLE-UHFFFAOYSA-N 2 0 258.325 1.068 10 30 CDEERP C[C@@H](C#N)OCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000394105572 686827356 /nfs/dbraw/zinc/82/73/56/686827356.db2.gz XSVAMKYQURMNFZ-AWEZNQCLSA-N 2 0 265.401 1.723 10 30 CDEERP CCNC(NCC[N@H+]1[C@H](C)CCC[C@@H]1C)=[NH+]CC ZINC000849214561 686857221 /nfs/dbraw/zinc/85/72/21/686857221.db2.gz QRLBTMDLZTVYTP-BETUJISGSA-N 2 0 254.422 1.824 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000829583386 686882208 /nfs/dbraw/zinc/88/22/08/686882208.db2.gz BUJCBKZCWGTJQW-UHFFFAOYSA-N 2 0 295.471 1.931 10 30 CDEERP C#CCOCC[N@@H+](C)[C@H]1CCC[NH+](CCOCC#C)CC1 ZINC000851866678 687019976 /nfs/dbraw/zinc/01/99/76/687019976.db2.gz QDMQXIDJOAROON-KRWDZBQOSA-N 2 0 292.423 1.072 10 30 CDEERP C#C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)C1CCOCC1 ZINC000827555653 687376367 /nfs/dbraw/zinc/37/63/67/687376367.db2.gz YPEQGMATWGJKPA-SJORKVTESA-N 2 0 292.423 1.258 10 30 CDEERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCc1ccc(C#N)cc1)C2 ZINC000872154461 687502453 /nfs/dbraw/zinc/50/24/53/687502453.db2.gz QKAQLVVUUJKWDK-JKSUJKDBSA-N 2 0 255.365 1.642 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000877010242 687730311 /nfs/dbraw/zinc/73/03/11/687730311.db2.gz QRWYDFXDTOJXER-MELADBBJSA-N 2 0 293.798 1.328 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000877425536 688168702 /nfs/dbraw/zinc/16/87/02/688168702.db2.gz CTDQMDDSWOQEIR-YPMHNXCESA-N 2 0 293.798 1.936 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001690338071 1175443612 /nfs/dbraw/zinc/44/36/12/1175443612.db2.gz KPGGGKOVKQADQC-YIYPIFLZSA-N 2 0 265.401 1.140 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001266619796 1158700157 /nfs/dbraw/zinc/70/01/57/1158700157.db2.gz AXIDLCUWIOIXSM-RBSFLKMASA-N 2 0 281.444 1.920 10 30 CDEERP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001690821371 1158778267 /nfs/dbraw/zinc/77/82/67/1158778267.db2.gz VEVCEGUDFYOJGW-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001267390961 1159368994 /nfs/dbraw/zinc/36/89/94/1159368994.db2.gz XGIHKCKGUGFMDD-LLVKDONJSA-N 2 0 261.797 1.127 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC001621505659 1165695937 /nfs/dbraw/zinc/69/59/37/1165695937.db2.gz DHJHLPFLXJWRED-UHFFFAOYSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC001624929290 1165875436 /nfs/dbraw/zinc/87/54/36/1165875436.db2.gz QCECKMUUUNBWAK-UHFFFAOYSA-N 2 0 267.417 1.435 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001263275044 1167442405 /nfs/dbraw/zinc/44/24/05/1167442405.db2.gz UESFOAOYEHSZDR-MNOVXSKESA-N 2 0 259.781 1.057 10 30 CDEERP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001566923572 1168468135 /nfs/dbraw/zinc/46/81/35/1168468135.db2.gz VLLDICPCSCOKSF-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001568536780 1169354667 /nfs/dbraw/zinc/35/46/67/1169354667.db2.gz MFMRVLQVUBFTPJ-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568753571 1169462321 /nfs/dbraw/zinc/46/23/21/1169462321.db2.gz GXEDWCGPURXQKQ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001569840710 1170014210 /nfs/dbraw/zinc/01/42/10/1170014210.db2.gz FZJNZOWSKSNHLK-GJZGRUSLSA-N 2 0 291.439 1.485 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001570399636 1170151355 /nfs/dbraw/zinc/15/13/55/1170151355.db2.gz HDCKNUPHGDDGFK-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001571664887 1170515060 /nfs/dbraw/zinc/51/50/60/1170515060.db2.gz ZMOGCBXIEFHPAE-NFOMZHRRSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001661152446 1172344965 /nfs/dbraw/zinc/34/49/65/1172344965.db2.gz QLMZJZPPIZOHSO-OAHLLOKOSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001662239579 1172515103 /nfs/dbraw/zinc/51/51/03/1172515103.db2.gz SQEIQUDDVUOYFM-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001662646243 1172575500 /nfs/dbraw/zinc/57/55/00/1172575500.db2.gz PFQKAQMAALVGFE-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001662779431 1172593131 /nfs/dbraw/zinc/59/31/31/1172593131.db2.gz NICIPDHIPJPLDW-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001662801082 1172596466 /nfs/dbraw/zinc/59/64/66/1172596466.db2.gz CHIMHXJRPAHSAH-KRWDZBQOSA-N 2 0 299.418 1.162 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001664806666 1172913596 /nfs/dbraw/zinc/91/35/96/1172913596.db2.gz ISOCDQAOBFTYCL-HOCLYGCPSA-N 2 0 291.439 1.295 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1CC1 ZINC001666563265 1173151754 /nfs/dbraw/zinc/15/17/54/1173151754.db2.gz KTDIHCJQTNZAFE-HOCLYGCPSA-N 2 0 291.439 1.226 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001669838304 1173616811 /nfs/dbraw/zinc/61/68/11/1173616811.db2.gz KTWDHRIVSBBGCB-ZDUSSCGKSA-N 2 0 298.390 1.716 10 30 CDEERP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001672562981 1173783631 /nfs/dbraw/zinc/78/36/31/1173783631.db2.gz OWMFUJJUPQYISC-LSDHHAIUSA-N 2 0 291.439 1.437 10 30 CDEERP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001673622002 1173874743 /nfs/dbraw/zinc/87/47/43/1173874743.db2.gz XHMOVWJAUHNUBD-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001690392355 1175459208 /nfs/dbraw/zinc/45/92/08/1175459208.db2.gz VRHSAVGGRNIOOQ-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001692352398 1175747986 /nfs/dbraw/zinc/74/79/86/1175747986.db2.gz XPYMBKXDUYHAQK-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001698585453 1175857518 /nfs/dbraw/zinc/85/75/18/1175857518.db2.gz DUSLLGXCDDSAEH-INIZCTEOSA-N 2 0 291.439 1.418 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)CC1CC[NH+](C)CC1 ZINC001698619960 1175874666 /nfs/dbraw/zinc/87/46/66/1175874666.db2.gz FKSCZJTVTSIBAF-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699098446 1176092687 /nfs/dbraw/zinc/09/26/87/1176092687.db2.gz DJBMTUKJSVVOEX-LSDHHAIUSA-N 2 0 281.444 1.920 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699345819 1176274169 /nfs/dbraw/zinc/27/41/69/1176274169.db2.gz QNZVYUSFHYXXAZ-WLMCBFPDSA-N 2 0 291.439 1.392 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001699423611 1176388052 /nfs/dbraw/zinc/38/80/52/1176388052.db2.gz YCCZCNLXNAVQMK-GJZGRUSLSA-N 2 0 281.444 1.920 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCC1 ZINC001700143422 1176769818 /nfs/dbraw/zinc/76/98/18/1176769818.db2.gz TXMBHWPSYXHEBQ-UHFFFAOYSA-N 2 0 291.439 1.514 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)Cc1cncn1C ZINC001700194188 1176792555 /nfs/dbraw/zinc/79/25/55/1176792555.db2.gz LKKFSIJLCFFUSQ-UHFFFAOYSA-N 2 0 278.400 1.319 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001701030004 1177245415 /nfs/dbraw/zinc/24/54/15/1177245415.db2.gz ZNDOSPORNOQSJV-UHFFFAOYSA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001712977210 1178280733 /nfs/dbraw/zinc/28/07/33/1178280733.db2.gz QMXAXZOXOCXUNR-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001713096940 1178364714 /nfs/dbraw/zinc/36/47/14/1178364714.db2.gz JMMVLHWLDKRMME-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001713110864 1178374352 /nfs/dbraw/zinc/37/43/52/1178374352.db2.gz CYHNMUQANZDZRA-HNNXBMFYSA-N 2 0 291.439 1.533 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001713457716 1178577474 /nfs/dbraw/zinc/57/74/74/1178577474.db2.gz LIAITSGIOXGGNH-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001713866294 1178801537 /nfs/dbraw/zinc/80/15/37/1178801537.db2.gz MZDQZTYWSBLXHM-YUELXQCFSA-N 2 0 279.428 1.387 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001714049577 1178945668 /nfs/dbraw/zinc/94/56/68/1178945668.db2.gz KMLLKEWAVUUFIN-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001715033663 1179519020 /nfs/dbraw/zinc/51/90/20/1179519020.db2.gz YGYCSSLWGCBVMO-INIZCTEOSA-N 2 0 291.439 1.418 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001715098763 1179551271 /nfs/dbraw/zinc/55/12/71/1179551271.db2.gz PVTUNHOHNSNLLV-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001715115375 1179556482 /nfs/dbraw/zinc/55/64/82/1179556482.db2.gz SJBITOUTPWOWKV-KRWDZBQOSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715155382 1179565441 /nfs/dbraw/zinc/56/54/41/1179565441.db2.gz SBIAFCCPNWFGFM-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001715186494 1179572057 /nfs/dbraw/zinc/57/20/57/1179572057.db2.gz FDAYPACWLUQOBJ-SHTZXODSSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001715196851 1179574669 /nfs/dbraw/zinc/57/46/69/1179574669.db2.gz OBXKZTCGLRIBSA-UHFFFAOYSA-N 2 0 299.418 1.367 10 30 CDEERP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001715290166 1179612063 /nfs/dbraw/zinc/61/20/63/1179612063.db2.gz FKKOXBDHRKKUHR-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001715535526 1179707064 /nfs/dbraw/zinc/70/70/64/1179707064.db2.gz VDPXPJOGNWQCLN-UHFFFAOYSA-N 2 0 293.455 1.520 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001715544053 1179709995 /nfs/dbraw/zinc/70/99/95/1179709995.db2.gz IXFQCCHSUGPNSD-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001715591425 1179727583 /nfs/dbraw/zinc/72/75/83/1179727583.db2.gz AYBKLMHTSYJLRF-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715827726 1179853003 /nfs/dbraw/zinc/85/30/03/1179853003.db2.gz LGUWAFWSMYFLLM-MRXNPFEDSA-N 2 0 293.455 1.685 10 30 CDEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001716008202 1179979400 /nfs/dbraw/zinc/97/94/00/1179979400.db2.gz GWZTURKYCPPTPX-INIZCTEOSA-N 2 0 299.418 1.228 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001716041884 1180017289 /nfs/dbraw/zinc/01/72/89/1180017289.db2.gz VWTSLLZWUBLRCX-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001716071365 1180032012 /nfs/dbraw/zinc/03/20/12/1180032012.db2.gz MOFAAHFTKVHZQB-HOTGVXAUSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001716685309 1180368136 /nfs/dbraw/zinc/36/81/36/1180368136.db2.gz XBIPMYPIZUJFNY-ZDUSSCGKSA-N 2 0 265.401 1.285 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001717514461 1180720047 /nfs/dbraw/zinc/72/00/47/1180720047.db2.gz QSQBJPGRSOOZEX-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001717606479 1180756021 /nfs/dbraw/zinc/75/60/21/1180756021.db2.gz UCBNXSVGABRQEN-YHUYYLMFSA-N 2 0 291.439 1.198 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001717755817 1180831846 /nfs/dbraw/zinc/83/18/46/1180831846.db2.gz IDCSXQOOABRGMN-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001717901290 1180919926 /nfs/dbraw/zinc/91/99/26/1180919926.db2.gz XTHXTCDMEBHLDB-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001717994210 1180961813 /nfs/dbraw/zinc/96/18/13/1180961813.db2.gz WCDPHDUKTZLXBL-NRXISQOPSA-N 2 0 277.412 1.073 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001722916970 1181494205 /nfs/dbraw/zinc/49/42/05/1181494205.db2.gz QCKSUFQNLUUGRG-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001723176381 1181524988 /nfs/dbraw/zinc/52/49/88/1181524988.db2.gz NBKZBUFXFVFDDH-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001723357045 1181542986 /nfs/dbraw/zinc/54/29/86/1181542986.db2.gz USRYSDPNULQQHR-MRXNPFEDSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001723699100 1181594934 /nfs/dbraw/zinc/59/49/34/1181594934.db2.gz DFCLCSGWYMXGEB-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001724221664 1181656386 /nfs/dbraw/zinc/65/63/86/1181656386.db2.gz AWRSKIMAFCKJHZ-KRWDZBQOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001724704578 1181729427 /nfs/dbraw/zinc/72/94/27/1181729427.db2.gz BVNBPEBVEHDMRM-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001725063616 1181841373 /nfs/dbraw/zinc/84/13/73/1181841373.db2.gz CNIIEBTVHUQDJY-YMAMQOFZSA-N 2 0 279.428 1.530 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001725183590 1181911093 /nfs/dbraw/zinc/91/10/93/1181911093.db2.gz WCGXNMLDRQQPBQ-AWEZNQCLSA-N 2 0 283.460 1.977 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001731269526 1182285816 /nfs/dbraw/zinc/28/58/16/1182285816.db2.gz DRIPXRANAOQTJS-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001731296243 1182300316 /nfs/dbraw/zinc/30/03/16/1182300316.db2.gz KFTKVAUPFPSERI-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001731542242 1182442230 /nfs/dbraw/zinc/44/22/30/1182442230.db2.gz MNPDIMCHGLHJCM-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001731604768 1182474452 /nfs/dbraw/zinc/47/44/52/1182474452.db2.gz WNMWQQPARXTLRF-LBPRGKRZSA-N 2 0 284.363 1.374 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001731867948 1182638780 /nfs/dbraw/zinc/63/87/80/1182638780.db2.gz BXOBPOFAEQLYOM-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001731917277 1182678567 /nfs/dbraw/zinc/67/85/67/1182678567.db2.gz KNOMRVBUJKNIKK-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001732183834 1182837929 /nfs/dbraw/zinc/83/79/29/1182837929.db2.gz ALWCJNHSZFVNCB-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001732455025 1182974863 /nfs/dbraw/zinc/97/48/63/1182974863.db2.gz RIWLGRYNWJKASM-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001732592143 1183035404 /nfs/dbraw/zinc/03/54/04/1183035404.db2.gz YYORMBAVMSZQJE-UHFFFAOYSA-N 2 0 255.406 1.295 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001733352135 1183406561 /nfs/dbraw/zinc/40/65/61/1183406561.db2.gz KYDMUIYRUBMRDJ-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001733353595 1183408199 /nfs/dbraw/zinc/40/81/99/1183408199.db2.gz KGCFGNLUYAKAET-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CC)C2)CC1 ZINC001733445396 1183434955 /nfs/dbraw/zinc/43/49/55/1183434955.db2.gz MFMGLTGJEOQAFG-KRWDZBQOSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001734041051 1183631316 /nfs/dbraw/zinc/63/13/16/1183631316.db2.gz SLRHQIKKLWHXJH-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001734045384 1183633251 /nfs/dbraw/zinc/63/32/51/1183633251.db2.gz SKVVYEJVOOXTRF-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001734093267 1183654975 /nfs/dbraw/zinc/65/49/75/1183654975.db2.gz IOUOUIGDKPXRTR-CVEARBPZSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001734503645 1183801811 /nfs/dbraw/zinc/80/18/11/1183801811.db2.gz FPEYOEYLZPLLRA-CQSZACIVSA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001734551075 1183822103 /nfs/dbraw/zinc/82/21/03/1183822103.db2.gz AHVVPGZAGYBZJB-HOTGVXAUSA-N 2 0 293.455 1.519 10 30 CDEERP C=C(C)C[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001734631342 1183853081 /nfs/dbraw/zinc/85/30/81/1183853081.db2.gz MICWMQORPFXMNW-UHFFFAOYSA-N 2 0 265.401 1.263 10 30 CDEERP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001671089954 1164415119 /nfs/dbraw/zinc/41/51/19/1164415119.db2.gz DYWQDEZPYDCXJY-KRWDZBQOSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001566049920 1168221390 /nfs/dbraw/zinc/22/13/90/1168221390.db2.gz VNFREWKAQNIAAC-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001566844860 1168442367 /nfs/dbraw/zinc/44/23/67/1168442367.db2.gz WUAYIOUKPGBKKV-XUWVNRHRSA-N 2 0 291.439 1.816 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001567096770 1168561012 /nfs/dbraw/zinc/56/10/12/1168561012.db2.gz QWTIEMDFPQTIHS-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001266417441 894772915 /nfs/dbraw/zinc/77/29/15/894772915.db2.gz DZIBSMUUDCBUSR-OAHLLOKOSA-N 2 0 291.439 1.675 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266690762 895839722 /nfs/dbraw/zinc/83/97/22/895839722.db2.gz PBIRCDLFLRWJRC-OKILXGFUSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001266948475 896413003 /nfs/dbraw/zinc/41/30/03/896413003.db2.gz JBEOVKXQUHMTEU-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001266976563 896476610 /nfs/dbraw/zinc/47/66/10/896476610.db2.gz XQRDJXLXWVBWDA-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001481044711 898679455 /nfs/dbraw/zinc/67/94/55/898679455.db2.gz SDGHYEHLWDFJHE-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001267603450 898755021 /nfs/dbraw/zinc/75/50/21/898755021.db2.gz RVACOXCPJNJFCM-MRXNPFEDSA-N 2 0 295.471 1.929 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267653784 899176643 /nfs/dbraw/zinc/17/66/43/899176643.db2.gz YSPRPOBKVLUHCP-HUUCEWRRSA-N 2 0 297.418 1.080 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001267775926 899694231 /nfs/dbraw/zinc/69/42/31/899694231.db2.gz AGPOGBBTYXVQMX-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001267775927 899694990 /nfs/dbraw/zinc/69/49/90/899694990.db2.gz AGPOGBBTYXVQMX-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001481353524 900480587 /nfs/dbraw/zinc/48/05/87/900480587.db2.gz KIORSAZBNNNYNO-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481407425 900574070 /nfs/dbraw/zinc/57/40/70/900574070.db2.gz DAIVYINDIVCMJZ-CABCVRRESA-N 2 0 281.444 1.826 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CCC)C1 ZINC001481410874 900581298 /nfs/dbraw/zinc/58/12/98/900581298.db2.gz PHIHMVNJUAUUHI-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001268375850 901959034 /nfs/dbraw/zinc/95/90/34/901959034.db2.gz SAHHIYWLWFAGEA-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)COC1CC[NH+](C)CC1 ZINC001481862775 902231495 /nfs/dbraw/zinc/23/14/95/902231495.db2.gz AFBVDZIBEYRCPL-CQSZACIVSA-N 2 0 297.443 1.158 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001481880476 902258002 /nfs/dbraw/zinc/25/80/02/902258002.db2.gz FLPOWJDAQWHYRM-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001481936293 902369674 /nfs/dbraw/zinc/36/96/74/902369674.db2.gz BDSZQSKHVKWTBJ-RDJZCZTQSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001482003029 902460231 /nfs/dbraw/zinc/46/02/31/902460231.db2.gz GBSFSBIUFUTWQN-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CCCF)CC1 ZINC001482171105 902799537 /nfs/dbraw/zinc/79/95/37/902799537.db2.gz BNXWXDYZCYXHPN-AWEZNQCLSA-N 2 0 297.418 1.033 10 30 CDEERP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268625665 902839150 /nfs/dbraw/zinc/83/91/50/902839150.db2.gz IUTHTWPTJMFDCQ-KXLSMFKISA-N 2 0 279.428 1.555 10 30 CDEERP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001268732384 903049124 /nfs/dbraw/zinc/04/91/24/903049124.db2.gz JCINQBSQHWXKHR-KGLIPLIRSA-N 2 0 285.407 1.126 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001268959678 903276763 /nfs/dbraw/zinc/27/67/63/903276763.db2.gz DPXVTQCPCGXMSX-SOUVJXGZSA-N 2 0 277.412 1.332 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001269310846 903683908 /nfs/dbraw/zinc/68/39/08/903683908.db2.gz NWKVNZMVIMDTEH-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001269350425 903726998 /nfs/dbraw/zinc/72/69/98/903726998.db2.gz IHWVAFIOLGOSOI-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001269427904 903799631 /nfs/dbraw/zinc/79/96/31/903799631.db2.gz CXZKFRRDGPPLLG-UHFFFAOYSA-N 2 0 265.401 1.285 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001269443212 903812839 /nfs/dbraw/zinc/81/28/39/903812839.db2.gz SRPAKJFOMFVELE-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001270081460 904335932 /nfs/dbraw/zinc/33/59/32/904335932.db2.gz CZRRFYPQNOJZBY-MRXNPFEDSA-N 2 0 289.423 1.919 10 30 CDEERP C#CCN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CC)CC1 ZINC001270358338 904559060 /nfs/dbraw/zinc/55/90/60/904559060.db2.gz GERNPENADGFHSQ-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482291115 904663077 /nfs/dbraw/zinc/66/30/77/904663077.db2.gz CVIRSUWHJDZXFJ-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001270624021 904828877 /nfs/dbraw/zinc/82/88/77/904828877.db2.gz MLEXOBQUJCCWMX-GDBMZVCRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001270696897 904955039 /nfs/dbraw/zinc/95/50/39/904955039.db2.gz CWHROHRJLHLABE-WBVHZDCISA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001271181994 906150095 /nfs/dbraw/zinc/15/00/95/906150095.db2.gz PNOFYVFFKOKHEM-ZIAGYGMSSA-N 2 0 267.417 1.032 10 30 CDEERP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001482500196 906679176 /nfs/dbraw/zinc/67/91/76/906679176.db2.gz STXNXGPUUBHXOU-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001482534434 906893953 /nfs/dbraw/zinc/89/39/53/906893953.db2.gz RXXMEBYGUFXXGS-OAHLLOKOSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001494207107 921354336 /nfs/dbraw/zinc/35/43/36/921354336.db2.gz VTUADQMRZPYAJF-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP CC#CC[N@H+](C)CCN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001482654211 908119995 /nfs/dbraw/zinc/11/99/95/908119995.db2.gz ASBURAQCAQOLRR-UHFFFAOYSA-N 2 0 293.455 1.666 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001482900819 908466657 /nfs/dbraw/zinc/46/66/57/908466657.db2.gz KTTVJARPWJCEPR-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483392556 911044220 /nfs/dbraw/zinc/04/42/20/911044220.db2.gz ABDLPZFJWHKJIJ-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001483848608 915111705 /nfs/dbraw/zinc/11/17/05/915111705.db2.gz WHICZWOCUWWJRZ-MRXNPFEDSA-N 2 0 279.428 1.439 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484547637 915874737 /nfs/dbraw/zinc/87/47/37/915874737.db2.gz AHZPGNOKGUPGBP-JKSUJKDBSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001484921007 916274986 /nfs/dbraw/zinc/27/49/86/916274986.db2.gz NEDGPMIKAQZNAS-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001485323840 916840531 /nfs/dbraw/zinc/84/05/31/916840531.db2.gz VBZBYMPNDMPPGF-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001485582229 917106777 /nfs/dbraw/zinc/10/67/77/917106777.db2.gz NBFWKZQBQKMGLN-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001485874272 920540250 /nfs/dbraw/zinc/54/02/50/920540250.db2.gz VRLVYZQRVREZBY-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001494119296 920641352 /nfs/dbraw/zinc/64/13/52/920641352.db2.gz JEQHJJWQHBFXGQ-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001122132894 937907808 /nfs/dbraw/zinc/90/78/08/937907808.db2.gz ZTKOQQSRGFAKOY-XQQFMLRXSA-N 2 0 253.390 1.126 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001491017786 936842749 /nfs/dbraw/zinc/84/27/49/936842749.db2.gz AOOGJFWYDAHQIX-LJISPDSOSA-N 2 0 279.428 1.530 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001491334573 936895216 /nfs/dbraw/zinc/89/52/16/936895216.db2.gz QKXALZRLDLTIMG-SUJAAXHWSA-N 2 0 291.439 1.339 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001491455722 936919468 /nfs/dbraw/zinc/91/94/68/936919468.db2.gz IXHIQPYXYAJMIA-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC001141746611 936933065 /nfs/dbraw/zinc/93/30/65/936933065.db2.gz YLHMEJJIGWXADO-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001568397505 1169271258 /nfs/dbraw/zinc/27/12/58/1169271258.db2.gz ZYCYUUQPNKPTAQ-OAHLLOKOSA-N 2 0 289.423 1.076 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001490573524 927235038 /nfs/dbraw/zinc/23/50/38/927235038.db2.gz QSSJAGABINWNGX-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001490566344 927237335 /nfs/dbraw/zinc/23/73/35/927237335.db2.gz KDEXAUFVXREXRY-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001274368454 931494231 /nfs/dbraw/zinc/49/42/31/931494231.db2.gz LMQJAEMKBSJORE-RGDDUWESSA-N 2 0 279.428 1.556 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001568678587 1169426764 /nfs/dbraw/zinc/42/67/64/1169426764.db2.gz VJLQSCPKFJHGEU-CQSZACIVSA-N 2 0 281.444 1.472 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)CC[N@@H+](C)CC)C1CCCC1 ZINC001278283045 945251710 /nfs/dbraw/zinc/25/17/10/945251710.db2.gz SFNZIXNJXBOFMX-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001329471802 939796667 /nfs/dbraw/zinc/79/66/67/939796667.db2.gz MMOAXGNJQJJKRY-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001276970462 941751803 /nfs/dbraw/zinc/75/18/03/941751803.db2.gz RAGQNMAVVQBWMS-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001277329610 942377575 /nfs/dbraw/zinc/37/75/75/942377575.db2.gz UQGIZRDXIQPAOM-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001282262661 942684158 /nfs/dbraw/zinc/68/41/58/942684158.db2.gz BYSQWEBDRRMAHB-UYSNPLJNSA-N 2 0 293.455 1.709 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001283898703 943022479 /nfs/dbraw/zinc/02/24/79/943022479.db2.gz KXUFMJDXLNLHAS-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001284067109 943068125 /nfs/dbraw/zinc/06/81/25/943068125.db2.gz KOGBTEJFLMIDRA-ZMSDIMECSA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CCC)CCC[C@H]12 ZINC001284071012 943069562 /nfs/dbraw/zinc/06/95/62/943069562.db2.gz LBZRWACLHFZVOL-DOTOQJQBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[N@H+]1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001284976965 943306573 /nfs/dbraw/zinc/30/65/73/943306573.db2.gz OVJRLOJORXLEPO-UHFFFAOYSA-N 2 0 277.412 1.100 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001277937974 944127326 /nfs/dbraw/zinc/12/73/26/944127326.db2.gz MADSDLJFHCNVNU-XJKSGUPXSA-N 2 0 297.418 1.269 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001265093280 944227702 /nfs/dbraw/zinc/22/77/02/944227702.db2.gz YIERNQDVTVGJLH-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265595231 944441172 /nfs/dbraw/zinc/44/11/72/944441172.db2.gz VDUDIHZMIRGGME-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001265654388 944458418 /nfs/dbraw/zinc/45/84/18/944458418.db2.gz TUMFEILDWAACCK-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001265794565 944510646 /nfs/dbraw/zinc/51/06/46/944510646.db2.gz QXYLFZJGDIGVHS-KBPBESRZSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266054116 944657657 /nfs/dbraw/zinc/65/76/57/944657657.db2.gz IONXWXTZSNIWMV-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001266094696 944677556 /nfs/dbraw/zinc/67/75/56/944677556.db2.gz YMICSEUCOGRYGW-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001479295638 971291631 /nfs/dbraw/zinc/29/16/31/971291631.db2.gz RLTXTODIPPKHKT-XHSDSOJGSA-N 2 0 293.455 1.920 10 30 CDEERP C#CCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001278459719 948382774 /nfs/dbraw/zinc/38/27/74/948382774.db2.gz NNCLCOHYUIVYHY-HOCLYGCPSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001480006966 971533060 /nfs/dbraw/zinc/53/30/60/971533060.db2.gz CVGZZQXIFUITNN-CABCVRRESA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480386667 971696503 /nfs/dbraw/zinc/69/65/03/971696503.db2.gz LEFMRIGUWDWRGP-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001480394848 971703076 /nfs/dbraw/zinc/70/30/76/971703076.db2.gz POCQIRXLFOCVOT-ARKGTOAJSA-N 2 0 293.455 1.728 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001480813472 971890194 /nfs/dbraw/zinc/89/01/94/971890194.db2.gz HFQXRMONQFOFGD-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001493058122 971934195 /nfs/dbraw/zinc/93/41/95/971934195.db2.gz FIALWJJMGXYCNA-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001493058123 971935087 /nfs/dbraw/zinc/93/50/87/971935087.db2.gz FIALWJJMGXYCNA-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001326602621 954450125 /nfs/dbraw/zinc/45/01/25/954450125.db2.gz DNQCEIVZBJBITB-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001493385087 972037273 /nfs/dbraw/zinc/03/72/73/972037273.db2.gz BDDWJLGLUHMXFM-MRXNPFEDSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001491804837 955444689 /nfs/dbraw/zinc/44/46/89/955444689.db2.gz LFVRLKKXGWFQFI-RBSFLKMASA-N 2 0 279.428 1.341 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001493696193 972102923 /nfs/dbraw/zinc/10/29/23/972102923.db2.gz QEKAJYBLRBBWBQ-UHFFFAOYSA-N 2 0 269.433 1.588 10 30 CDEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001491960599 955546863 /nfs/dbraw/zinc/54/68/63/955546863.db2.gz WKYYSIWHGLDHDA-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001491965334 955550476 /nfs/dbraw/zinc/55/04/76/955550476.db2.gz JYPAVMUGEKGFTP-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492024585 955614166 /nfs/dbraw/zinc/61/41/66/955614166.db2.gz SQDGSMDSTOVHIU-GDBMZVCRSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329102804 955686419 /nfs/dbraw/zinc/68/64/19/955686419.db2.gz HKWVKUCDJGGDKJ-KGLIPLIRSA-N 2 0 279.428 1.367 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001329197912 955751197 /nfs/dbraw/zinc/75/11/97/955751197.db2.gz WRIMZUHNHCBBAN-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001316853417 956314490 /nfs/dbraw/zinc/31/44/90/956314490.db2.gz FIQCDWQSSAJQFY-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001317011971 956923876 /nfs/dbraw/zinc/92/38/76/956923876.db2.gz FSSOKVGEQPLEHI-HOTGVXAUSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001317034564 957218961 /nfs/dbraw/zinc/21/89/61/957218961.db2.gz NRCIHQAJSKIEEI-CQSZACIVSA-N 2 0 265.401 1.143 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317083307 957257997 /nfs/dbraw/zinc/25/79/97/957257997.db2.gz UVNCQXIXAAZXCO-SHTZXODSSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001331928125 957341767 /nfs/dbraw/zinc/34/17/67/957341767.db2.gz KVKCWHLMMGDORG-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001317414958 957461160 /nfs/dbraw/zinc/46/11/60/957461160.db2.gz GEXZYSSSBCGCCW-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317534302 957534427 /nfs/dbraw/zinc/53/44/27/957534427.db2.gz AOJKROVAOVMTDG-HNNXBMFYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001494739257 972299459 /nfs/dbraw/zinc/29/94/59/972299459.db2.gz OVOWKDSOHMEWIT-ZDUSSCGKSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001332837540 957875420 /nfs/dbraw/zinc/87/54/20/957875420.db2.gz LKRZSTMLOSACTC-ZIAGYGMSSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367411263 957997626 /nfs/dbraw/zinc/99/76/26/957997626.db2.gz XXJKYAHAMNTVDE-NWDGAFQWSA-N 2 0 273.808 1.127 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001318275886 958011268 /nfs/dbraw/zinc/01/12/68/958011268.db2.gz FKZNEYKLPLRRAP-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001318300332 958020511 /nfs/dbraw/zinc/02/05/11/958020511.db2.gz ZIKZFMLVMWHJBE-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001318527986 958156048 /nfs/dbraw/zinc/15/60/48/958156048.db2.gz GXFUVOUHQHUXTD-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001319210279 958436192 /nfs/dbraw/zinc/43/61/92/958436192.db2.gz VNVBGARTIBAAST-AWEZNQCLSA-N 2 0 279.428 1.390 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001319912706 958785354 /nfs/dbraw/zinc/78/53/54/958785354.db2.gz YDFCHVAHHPUOFK-CABCVRRESA-N 2 0 281.444 1.776 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001319936452 958800780 /nfs/dbraw/zinc/80/07/80/958800780.db2.gz PCOJHPGWZYSIEM-HRCADAONSA-N 2 0 293.455 1.470 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001320048925 958903560 /nfs/dbraw/zinc/90/35/60/958903560.db2.gz WAGCJGOTWMSKAO-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C#CC[N@@H+](C)CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001320061746 958914177 /nfs/dbraw/zinc/91/41/77/958914177.db2.gz OILOURDOKMUVFG-UHFFFAOYSA-N 2 0 287.407 1.385 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320922645 959459884 /nfs/dbraw/zinc/45/98/84/959459884.db2.gz VKVJZAUDUPUSOF-GFCCVEGCSA-N 2 0 273.808 1.129 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001322274656 960163716 /nfs/dbraw/zinc/16/37/16/960163716.db2.gz PIDINBLVGDBEJA-CQSZACIVSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001322844205 960342197 /nfs/dbraw/zinc/34/21/97/960342197.db2.gz QKVLDYGBIRURCY-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH+]1CCC(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001495534591 972531841 /nfs/dbraw/zinc/53/18/41/972531841.db2.gz FCDYNPJWKFHCKO-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001324176272 961217911 /nfs/dbraw/zinc/21/79/11/961217911.db2.gz SNPFDCAFDNOASU-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001340365564 962909864 /nfs/dbraw/zinc/90/98/64/962909864.db2.gz SBNXFUZQDWSCBV-GFCCVEGCSA-N 2 0 251.374 1.025 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001341695700 963514964 /nfs/dbraw/zinc/51/49/64/963514964.db2.gz ICECBVIWKDKIHP-VWYCJHECSA-N 2 0 293.333 1.408 10 30 CDEERP C=CC[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001479690422 964215822 /nfs/dbraw/zinc/21/58/22/964215822.db2.gz ORJNTVFNPJVASX-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(C#N)s1 ZINC001480530853 968116188 /nfs/dbraw/zinc/11/61/88/968116188.db2.gz PBKTZVCWEQMRJE-LLVKDONJSA-N 2 0 294.424 1.166 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001569541780 1169916861 /nfs/dbraw/zinc/91/68/61/1169916861.db2.gz XCJSZTLDHCYJSB-JKSUJKDBSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001358204660 969708393 /nfs/dbraw/zinc/70/83/93/969708393.db2.gz YOYGBSCRRRCREB-UMVBOHGHSA-N 2 0 265.401 1.318 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480612848 970078158 /nfs/dbraw/zinc/07/81/58/970078158.db2.gz VBRPNTDMNOKBMC-UONOGXRCSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH2+]C ZINC001522669768 970533412 /nfs/dbraw/zinc/53/34/12/970533412.db2.gz ZAYBRQRBMMIGHU-QWHCGFSZSA-N 2 0 253.390 1.271 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001495728211 972611771 /nfs/dbraw/zinc/61/17/71/972611771.db2.gz BSZTYLYALWJOSD-CYBMUJFWSA-N 2 0 267.417 1.246 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001497329900 973288971 /nfs/dbraw/zinc/28/89/71/973288971.db2.gz FIUFKMNYNKTTDE-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497586678 973422593 /nfs/dbraw/zinc/42/25/93/973422593.db2.gz XKTBGGWWYZXXSF-DIABFLQPSA-N 2 0 285.819 1.341 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001498380277 973872848 /nfs/dbraw/zinc/87/28/48/973872848.db2.gz GIKZVUNSXJBHAZ-ZDUSSCGKSA-N 2 0 269.433 1.587 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001498499010 973950828 /nfs/dbraw/zinc/95/08/28/973950828.db2.gz SOZMTAYDYLEQCB-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001569716514 1169975123 /nfs/dbraw/zinc/97/51/23/1169975123.db2.gz SRQDICIPYAYKFY-WBVHZDCISA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001500106462 974374764 /nfs/dbraw/zinc/37/47/64/974374764.db2.gz GARDFASFZOHSLP-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001500357912 974427828 /nfs/dbraw/zinc/42/78/28/974427828.db2.gz IENSWJTVZJRNES-DOTOQJQBSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001502341816 974722807 /nfs/dbraw/zinc/72/28/07/974722807.db2.gz FFGXCHPPYOSMOE-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001502968537 974805829 /nfs/dbraw/zinc/80/58/29/974805829.db2.gz MMZFKSLDMOQNOI-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001505733264 974976890 /nfs/dbraw/zinc/97/68/90/974976890.db2.gz QSXJLDIXWQWTAN-ZIAGYGMSSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001507398296 975451879 /nfs/dbraw/zinc/45/18/79/975451879.db2.gz ISOVOJGKZPEEPE-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001507427194 975465844 /nfs/dbraw/zinc/46/58/44/975465844.db2.gz IXHWPDDCDXEEOI-ZIAGYGMSSA-N 2 0 299.846 1.709 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001402792689 976483873 /nfs/dbraw/zinc/48/38/73/976483873.db2.gz OLFWCHPBKYEKDG-PWSUYJOCSA-N 2 0 273.808 1.127 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001569840709 1170014739 /nfs/dbraw/zinc/01/47/39/1170014739.db2.gz FZJNZOWSKSNHLK-CABCVRRESA-N 2 0 291.439 1.485 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001674574091 1173964334 /nfs/dbraw/zinc/96/43/34/1173964334.db2.gz VZWLGAQDFCUCDF-UHFFFAOYSA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001674774660 1174008312 /nfs/dbraw/zinc/00/83/12/1174008312.db2.gz RHFIABLAFKQBTI-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[N@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001675677384 1174136714 /nfs/dbraw/zinc/13/67/14/1174136714.db2.gz DMXJHOHLOSPGLV-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001675904681 1174162771 /nfs/dbraw/zinc/16/27/71/1174162771.db2.gz XPIGMNVWPCALBD-MGPQQGTHSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001570115132 1170085159 /nfs/dbraw/zinc/08/51/59/1170085159.db2.gz GIAQYDKONKZRTN-KBPBESRZSA-N 2 0 279.428 1.531 10 30 CDEERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437814 342905956 /nfs/dbraw/zinc/90/59/56/342905956.db2.gz XAPTWPLTPJIUTI-ZFWWWQNUSA-N 2 0 294.443 1.586 10 30 CDEERP CC[NH+]1CCC(CCNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594438649 342906339 /nfs/dbraw/zinc/90/63/39/342906339.db2.gz PFKLJELXLLRXLI-HNNXBMFYSA-N 2 0 294.443 1.636 10 30 CDEERP C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C(C)(C)C[NH+](C)C ZINC000594439458 342906727 /nfs/dbraw/zinc/90/67/27/342906727.db2.gz QRGDDYMJYUZOIA-OLZOCXBDSA-N 2 0 282.432 1.490 10 30 CDEERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594439636 342906781 /nfs/dbraw/zinc/90/67/81/342906781.db2.gz TUWJICFFSSRSDZ-UONOGXRCSA-N 2 0 280.416 1.198 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000594442030 342907712 /nfs/dbraw/zinc/90/77/12/342907712.db2.gz ZSMGOFSBMHEIJG-HUUCEWRRSA-N 2 0 292.427 1.484 10 30 CDEERP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)CC[N@@H+]1C ZINC000600723792 342245052 /nfs/dbraw/zinc/24/50/52/342245052.db2.gz LZLYLDCRIPYMGM-UPJWGTAASA-N 2 0 251.374 1.113 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000594457218 342911804 /nfs/dbraw/zinc/91/18/04/342911804.db2.gz WPLCWZJTVLJDLV-ILXRZTDVSA-N 2 0 292.427 1.388 10 30 CDEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccc(C#N)c1 ZINC000594963278 342988645 /nfs/dbraw/zinc/98/86/45/342988645.db2.gz ILSXZMXNQLRDSP-HNNXBMFYSA-N 2 0 288.439 1.920 10 30 CDEERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000600775431 349880284 /nfs/dbraw/zinc/88/02/84/349880284.db2.gz NWCAZIQOIHNFTP-UHFFFAOYSA-N 2 0 277.368 1.235 10 30 CDEERP C=CCC[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001660321350 1172194772 /nfs/dbraw/zinc/19/47/72/1172194772.db2.gz GVUIOZRLHBLMOF-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000195045935 375979881 /nfs/dbraw/zinc/97/98/81/375979881.db2.gz KISXXORKOZCTDG-INIZCTEOSA-N 2 0 289.423 1.028 10 30 CDEERP C[N@@H+](Cc1ccc(C#N)cc1)CC1CC[NH+](CCO)CC1 ZINC000069741537 378690616 /nfs/dbraw/zinc/69/06/16/378690616.db2.gz CURNMOWUSFPCLW-UHFFFAOYSA-N 2 0 287.407 1.694 10 30 CDEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001662871988 1172605891 /nfs/dbraw/zinc/60/58/91/1172605891.db2.gz CEHKWAUPVLKKAF-HNNXBMFYSA-N 2 0 279.428 1.581 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001663396210 1172686120 /nfs/dbraw/zinc/68/61/20/1172686120.db2.gz HHJKEUYCHJLIQM-UHFFFAOYSA-N 2 0 291.439 1.324 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001663522983 1172715638 /nfs/dbraw/zinc/71/56/38/1172715638.db2.gz FXTBAIUBPUAQHL-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001663768427 1172759110 /nfs/dbraw/zinc/75/91/10/1172759110.db2.gz DSWKFKHQTIXSGT-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCC[NH2+]1 ZINC000662759197 413447180 /nfs/dbraw/zinc/44/71/80/413447180.db2.gz BIDPRXQBTTYYPW-BFYDXBDKSA-N 2 0 291.439 1.675 10 30 CDEERP NC(=O)C[N@H+](Cc1cc(C#CC[NH3+])cs1)C1CCCC1 ZINC000043689083 175095488 /nfs/dbraw/zinc/09/54/88/175095488.db2.gz KWVFVXWIEUZOKH-UHFFFAOYSA-N 2 0 291.420 1.288 10 30 CDEERP [NH3+]CC#Cc1csc(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000043689011 175095859 /nfs/dbraw/zinc/09/58/59/175095859.db2.gz WHFIHVJLGBIJDA-GFCCVEGCSA-N 2 0 250.367 1.015 10 30 CDEERP CN[C@](C)(C#N)CCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315810 175358390 /nfs/dbraw/zinc/35/83/90/175358390.db2.gz LMNPBYBTTPZVAS-INIZCTEOSA-N 2 0 280.460 1.932 10 30 CDEERP CCN[C@@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190781 176068181 /nfs/dbraw/zinc/06/81/81/176068181.db2.gz URKCNYGKRIEZAJ-JKSUJKDBSA-N 2 0 280.460 1.932 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001667059277 1173227740 /nfs/dbraw/zinc/22/77/40/1173227740.db2.gz OLVHFHVOVBQFDG-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001667751633 1173320025 /nfs/dbraw/zinc/32/00/25/1173320025.db2.gz LXCWUWRUKIGRQL-CABCVRRESA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001668326706 1173397387 /nfs/dbraw/zinc/39/73/87/1173397387.db2.gz UQNWBRIFLCBWTH-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]2C1 ZINC001672442843 1173773841 /nfs/dbraw/zinc/77/38/41/1173773841.db2.gz PKKQLNFDCBCBJS-GASCZTMLSA-N 2 0 279.428 1.295 10 30 CDEERP [NH2+]=C(NCc1cccnc1-n1ccnc1)Nc1ccccn1 ZINC000170912400 329072480 /nfs/dbraw/zinc/07/24/80/329072480.db2.gz JZXRDBLJVNZMIG-UHFFFAOYSA-N 2 0 293.334 1.589 10 30 CDEERP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001691860114 1175638563 /nfs/dbraw/zinc/63/85/63/1175638563.db2.gz CWKUGZZDPKBKDN-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001725196465 1159231867 /nfs/dbraw/zinc/23/18/67/1159231867.db2.gz QVPVMXACEICDSL-AWEZNQCLSA-N 2 0 269.433 1.729 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001725778009 1159279185 /nfs/dbraw/zinc/27/91/85/1159279185.db2.gz JKIVZDXFOGVXLY-YMAMQOFZSA-N 2 0 297.418 1.269 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001691476289 1159334423 /nfs/dbraw/zinc/33/44/23/1159334423.db2.gz GIJAWIYQFLZYFO-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001670808086 1160171198 /nfs/dbraw/zinc/17/11/98/1160171198.db2.gz VDLLKRHRYZCHOS-LSDHHAIUSA-N 2 0 291.439 1.818 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001691679084 1161559575 /nfs/dbraw/zinc/55/95/75/1161559575.db2.gz RFUVRUFWMDTORL-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001725442746 1182002552 /nfs/dbraw/zinc/00/25/52/1182002552.db2.gz MMHQLLXPPCDIJQ-RBSFLKMASA-N 2 0 281.444 1.633 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001731814016 1182601623 /nfs/dbraw/zinc/60/16/23/1182601623.db2.gz IZNJUGHVWAKZKA-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001733027596 1183245781 /nfs/dbraw/zinc/24/57/81/1183245781.db2.gz OJKSPBXPJNEVLG-ZDUSSCGKSA-N 2 0 253.390 1.143 10 30 CDEERP C[NH+](C)CC#CCNC(=O)NCCCCC[NH+]1CCCC1 ZINC001686618508 1174764415 /nfs/dbraw/zinc/76/44/15/1174764415.db2.gz MVLRFWIZZKVGEQ-UHFFFAOYSA-N 2 0 294.443 1.117 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001690103947 1175377052 /nfs/dbraw/zinc/37/70/52/1175377052.db2.gz XVHXHAVDYFLTKL-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690188649 1175398794 /nfs/dbraw/zinc/39/87/94/1175398794.db2.gz LIXDNPGABPWFFX-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001690199069 1175401631 /nfs/dbraw/zinc/40/16/31/1175401631.db2.gz JAFRSNMIPZXVGV-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690299665 1175431573 /nfs/dbraw/zinc/43/15/73/1175431573.db2.gz BDFJLNLFFMVDRR-HDJSIYSDSA-N 2 0 265.401 1.285 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002977 613742011 /nfs/dbraw/zinc/74/20/11/613742011.db2.gz RKKDMQSZBIZURD-OAHLLOKOSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[N@H+](C)CCCNCc1cc(C#N)cnc1Cl ZINC000894863777 619107617 /nfs/dbraw/zinc/10/76/17/619107617.db2.gz RUSLHMVKVUXXGB-UHFFFAOYSA-N 2 0 276.771 1.651 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000900856957 623574262 /nfs/dbraw/zinc/57/42/62/623574262.db2.gz DIBBHBCPAYUZHI-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000900946825 623658142 /nfs/dbraw/zinc/65/81/42/623658142.db2.gz UPQRNLKCOCNXMQ-AWEZNQCLSA-N 2 0 285.457 1.048 10 30 CDEERP C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000903474230 626004552 /nfs/dbraw/zinc/00/45/52/626004552.db2.gz JJLCZCWFDUDKIQ-UHFFFAOYSA-N 2 0 281.787 1.879 10 30 CDEERP C#CCNC(=O)CC[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000905599744 626883277 /nfs/dbraw/zinc/88/32/77/626883277.db2.gz BDSVJEUKOGWRRP-UHFFFAOYSA-N 2 0 277.412 1.123 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908494170 628225987 /nfs/dbraw/zinc/22/59/87/628225987.db2.gz BREHWDQMZRKDBJ-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001266410032 1158534774 /nfs/dbraw/zinc/53/47/74/1158534774.db2.gz WXUCBRVDQUXARP-CVEARBPZSA-N 2 0 291.439 1.367 10 30 CDEERP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001724586382 1158579154 /nfs/dbraw/zinc/57/91/54/1158579154.db2.gz GIIWHKLKRZCNIS-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001671342370 1158636142 /nfs/dbraw/zinc/63/61/42/1158636142.db2.gz IKONWIAANYKXCM-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH+](CCNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001266596355 1158648126 /nfs/dbraw/zinc/64/81/26/1158648126.db2.gz BHGCXTGQAZSQDL-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CCC([NH3+])CC1)CC2 ZINC000925816039 693899412 /nfs/dbraw/zinc/89/94/12/693899412.db2.gz CNEYZQWYGQDFCQ-KRWDZBQOSA-N 2 0 284.407 1.558 10 30 CDEERP C[NH+](C)CCCCCCCNC1=[NH+]CCCCN1 ZINC000849215751 694186555 /nfs/dbraw/zinc/18/65/55/694186555.db2.gz BEKZUJDPKQUXMG-UHFFFAOYSA-N 2 0 254.422 1.828 10 30 CDEERP C=CC[C@]1(C(=O)N(C)CCCCCC[NH3+])CCC[NH2+]1 ZINC000877436805 688450080 /nfs/dbraw/zinc/45/00/80/688450080.db2.gz NDRAPORJGVSUJA-OAHLLOKOSA-N 2 0 267.417 1.662 10 30 CDEERP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC[C@@H]1C[NH3+] ZINC000923494134 688836359 /nfs/dbraw/zinc/83/63/59/688836359.db2.gz VWLSTVOOFWIYBL-WQVCFCJDSA-N 2 0 273.380 1.508 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001700257395 1158944313 /nfs/dbraw/zinc/94/43/13/1158944313.db2.gz AAOBGHWKROIPLY-ZFWWWQNUSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691184160 1158950114 /nfs/dbraw/zinc/95/01/14/1158950114.db2.gz BXRRIUVTZYWVJV-KLHDSHLOSA-N 2 0 293.455 1.777 10 30 CDEERP C=CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001691211697 1158960249 /nfs/dbraw/zinc/96/02/49/1158960249.db2.gz XUNDFRDCJYHFIZ-TZMCWYRMSA-N 2 0 265.401 1.093 10 30 CDEERP CCN(CCC[NH+](CC)CC)C(=O)C#CC1CC[NH2+]CC1 ZINC000852884516 692302906 /nfs/dbraw/zinc/30/29/06/692302906.db2.gz KKOSFRQTOWKBJG-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP CC[NH2+]Cc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852793078 692434561 /nfs/dbraw/zinc/43/45/61/692434561.db2.gz OVIGQLITUIEVTK-UHFFFAOYSA-N 2 0 285.391 1.738 10 30 CDEERP CN(C[C@H](O)C[NH2+][C@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000872240728 692877337 /nfs/dbraw/zinc/87/73/37/692877337.db2.gz ZMEAUECJRIQOHN-DOTOQJQBSA-N 2 0 285.391 1.070 10 30 CDEERP CC[NH+](CC)[C@H](C)CNC(=[NH+]C)N1CC[C@@]2(CCOC2)C1 ZINC000262001941 693045847 /nfs/dbraw/zinc/04/58/47/693045847.db2.gz UPLFBOCGGIBXAE-GDBMZVCRSA-N 2 0 296.459 1.405 10 30 CDEERP C#CCC1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCCC1 ZINC000933267346 694581134 /nfs/dbraw/zinc/58/11/34/694581134.db2.gz FTPLLRGZVNKYBF-OAHLLOKOSA-N 2 0 264.413 1.759 10 30 CDEERP C#CCC1([NH2+]C[C@@H](O)C[N@@H+](C)CC)CCCCC1 ZINC000933265110 693198009 /nfs/dbraw/zinc/19/80/09/693198009.db2.gz ATPMVLZPOPOMIS-CQSZACIVSA-N 2 0 252.402 1.615 10 30 CDEERP N#Cc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000872238361 693322528 /nfs/dbraw/zinc/32/25/28/693322528.db2.gz GMAZVNTUXYRXEJ-IAGOWNOFSA-N 2 0 285.391 1.072 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000876854400 694740333 /nfs/dbraw/zinc/74/03/33/694740333.db2.gz SHQLAOFWCVHPJU-CHWSQXEVSA-N 2 0 285.819 1.304 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000876531325 694847142 /nfs/dbraw/zinc/84/71/42/694847142.db2.gz CIZNXDDYNBWZQD-CYBMUJFWSA-N 2 0 279.771 1.741 10 30 CDEERP C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cccs1 ZINC000261980054 694854797 /nfs/dbraw/zinc/85/47/97/694854797.db2.gz HSAUJRDWYDJKCH-LLVKDONJSA-N 2 0 266.414 1.289 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267046490 1159098373 /nfs/dbraw/zinc/09/83/73/1159098373.db2.gz DPQDQXCNHRGCLU-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001267563762 1159464031 /nfs/dbraw/zinc/46/40/31/1159464031.db2.gz FMGRGTUXFCPAML-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001670872698 1161144244 /nfs/dbraw/zinc/14/42/44/1161144244.db2.gz ZALUHZDURLYJLJ-UHFFFAOYSA-N 2 0 285.391 1.233 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001626565108 1165945527 /nfs/dbraw/zinc/94/55/27/1165945527.db2.gz RZJXMXNSPYKWBG-UHFFFAOYSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001566757227 1168408934 /nfs/dbraw/zinc/40/89/34/1168408934.db2.gz GAPQHUYXVKPRIH-GASCZTMLSA-N 2 0 279.428 1.580 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001571350870 1170378889 /nfs/dbraw/zinc/37/88/89/1170378889.db2.gz WYEGCJMMULOTJS-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001571392047 1170407346 /nfs/dbraw/zinc/40/73/46/1170407346.db2.gz ODURDPSCTBYOKI-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001650379057 1171001449 /nfs/dbraw/zinc/00/14/49/1171001449.db2.gz KMWIGLRUSAXETD-YPMHNXCESA-N 2 0 293.798 1.936 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001656346236 1171811184 /nfs/dbraw/zinc/81/11/84/1171811184.db2.gz QIYCDOSYXWRVLW-SOUVJXGZSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001656650478 1171857360 /nfs/dbraw/zinc/85/73/60/1171857360.db2.gz GEMBHVXFASQJAJ-KBMXLJTQSA-N 2 0 291.439 1.177 10 30 CDEERP C#CC[NH+]1CCC(N(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001660798035 1172277544 /nfs/dbraw/zinc/27/75/44/1172277544.db2.gz HJQQUEKEMGAKIM-UHFFFAOYSA-N 2 0 291.439 1.418 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001666671853 1173169681 /nfs/dbraw/zinc/16/96/81/1173169681.db2.gz AAKTVVCNRMDEJD-HNNXBMFYSA-N 2 0 281.444 1.780 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001667117973 1173236337 /nfs/dbraw/zinc/23/63/37/1173236337.db2.gz HWVHHYWICMEGDL-LSDHHAIUSA-N 2 0 281.444 1.635 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001673997810 1173905371 /nfs/dbraw/zinc/90/53/71/1173905371.db2.gz YNBLILXVADTZIP-UHFFFAOYSA-N 2 0 288.395 1.255 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001674720996 1173996712 /nfs/dbraw/zinc/99/67/12/1173996712.db2.gz FDYDYCLVQHMSCF-QWHCGFSZSA-N 2 0 255.406 1.387 10 30 CDEERP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001674872221 1174017192 /nfs/dbraw/zinc/01/71/92/1174017192.db2.gz MBQILPNUZPDJEU-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001675946965 1174167713 /nfs/dbraw/zinc/16/77/13/1174167713.db2.gz GAYNNKNWOAXSSX-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676273099 1174199134 /nfs/dbraw/zinc/19/91/34/1174199134.db2.gz IFQNIJPNOIVRML-CVEARBPZSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001690595819 1175516548 /nfs/dbraw/zinc/51/65/48/1175516548.db2.gz GNYRMWBNBDGDTE-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001690811520 1175578456 /nfs/dbraw/zinc/57/84/56/1175578456.db2.gz TXCMIJZRVLGVJO-GJZGRUSLSA-N 2 0 297.418 1.222 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001690866903 1175595314 /nfs/dbraw/zinc/59/53/14/1175595314.db2.gz FFOAVWPPYFCPGU-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001692128142 1175680492 /nfs/dbraw/zinc/68/04/92/1175680492.db2.gz HAVCULLBPRGCJR-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001692352348 1175746250 /nfs/dbraw/zinc/74/62/50/1175746250.db2.gz VZYBJEBYNURVNE-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001692375489 1175754764 /nfs/dbraw/zinc/75/47/64/1175754764.db2.gz YRVNJMAOZKUQMO-GJZGRUSLSA-N 2 0 291.439 1.580 10 30 CDEERP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001692382571 1175755917 /nfs/dbraw/zinc/75/59/17/1175755917.db2.gz UCXYNZMWFOLXAE-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001698578716 1175853728 /nfs/dbraw/zinc/85/37/28/1175853728.db2.gz VCLUPLXOGZQIIZ-ZDUSSCGKSA-N 2 0 253.390 1.045 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001698634017 1175881252 /nfs/dbraw/zinc/88/12/52/1175881252.db2.gz KVJQLFJIJQCGMN-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001698847380 1175961811 /nfs/dbraw/zinc/96/18/11/1175961811.db2.gz HPSQZNHJJIFTNA-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001699188845 1176133178 /nfs/dbraw/zinc/13/31/78/1176133178.db2.gz RGKMLNUTBGLISK-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001699335845 1176259516 /nfs/dbraw/zinc/25/95/16/1176259516.db2.gz MADMQEJDTAEAJT-JGUVHBTRSA-N 2 0 279.428 1.555 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001699346126 1176280855 /nfs/dbraw/zinc/28/08/55/1176280855.db2.gz TYOGLEOBBPMLMJ-DLPZHFSESA-N 2 0 265.401 1.307 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699554881 1176473389 /nfs/dbraw/zinc/47/33/89/1176473389.db2.gz ZUWTWNPSNVPBPQ-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001699666065 1176558805 /nfs/dbraw/zinc/55/88/05/1176558805.db2.gz OTPBLIRSPGWIPX-HUUCEWRRSA-N 2 0 289.423 1.265 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001699837519 1176650098 /nfs/dbraw/zinc/65/00/98/1176650098.db2.gz PZCKDLTXCPBJSR-NVXWUHKLSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001699876483 1176664722 /nfs/dbraw/zinc/66/47/22/1176664722.db2.gz ZDBWQIVBCOHXJS-QGZVFWFLSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001699967709 1176699985 /nfs/dbraw/zinc/69/99/85/1176699985.db2.gz BESDSXVBZGBGGH-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001700099856 1176745836 /nfs/dbraw/zinc/74/58/36/1176745836.db2.gz RNBAMAZHJGUXGJ-RHSMWYFYSA-N 2 0 299.418 1.538 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001700136738 1176764829 /nfs/dbraw/zinc/76/48/29/1176764829.db2.gz QMYJZOWQUOPCRC-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001700139304 1176766736 /nfs/dbraw/zinc/76/67/36/1176766736.db2.gz WTPAFTGCUUTITH-LSDHHAIUSA-N 2 0 289.423 1.265 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001700187128 1176789247 /nfs/dbraw/zinc/78/92/47/1176789247.db2.gz JLLRYTSWDBEIAA-UHFFFAOYSA-N 2 0 277.412 1.028 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001700468221 1176957167 /nfs/dbraw/zinc/95/71/67/1176957167.db2.gz XSINPOUMZYPOQY-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001700546442 1177009046 /nfs/dbraw/zinc/00/90/46/1177009046.db2.gz QMGMPNBOIFXUTI-AWEZNQCLSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001700840455 1177161410 /nfs/dbraw/zinc/16/14/10/1177161410.db2.gz IFHXICBIJICYIE-UKRRQHHQSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001707222089 1177970460 /nfs/dbraw/zinc/97/04/60/1177970460.db2.gz WKKUZCZQJHURIH-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C#CCC[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001707381752 1178007768 /nfs/dbraw/zinc/00/77/68/1178007768.db2.gz GZCJHXZISQGGKZ-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001707435175 1178043745 /nfs/dbraw/zinc/04/37/45/1178043745.db2.gz FRHRCKHTMDHIMV-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001713125329 1178382412 /nfs/dbraw/zinc/38/24/12/1178382412.db2.gz PYUFQWGIVVPTIT-KRWDZBQOSA-N 2 0 299.418 1.479 10 30 CDEERP CC#CC[NH2+]C1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001713287826 1178468129 /nfs/dbraw/zinc/46/81/29/1178468129.db2.gz TVLHKRJDXBJMOH-UHFFFAOYSA-N 2 0 291.439 1.511 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001713626427 1178686999 /nfs/dbraw/zinc/68/69/99/1178686999.db2.gz ILEYDJUNJDUVSZ-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001713979977 1178903041 /nfs/dbraw/zinc/90/30/41/1178903041.db2.gz TUJYZDYENVQLRX-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714047594 1178946764 /nfs/dbraw/zinc/94/67/64/1178946764.db2.gz CKNNYUXHJBFKEF-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001714377783 1179113043 /nfs/dbraw/zinc/11/30/43/1179113043.db2.gz BXUGZMMWCYZCLK-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001714772450 1179389645 /nfs/dbraw/zinc/38/96/45/1179389645.db2.gz PPMOAAHSWYPRBF-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001714831266 1179414832 /nfs/dbraw/zinc/41/48/32/1179414832.db2.gz WRZKUHKYSAQOGP-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001714862056 1179427492 /nfs/dbraw/zinc/42/74/92/1179427492.db2.gz FTGRLPRDYIIGFF-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)C[NH+]1CCCC1 ZINC001715080085 1179542900 /nfs/dbraw/zinc/54/29/00/1179542900.db2.gz OHMBFKGGAKGYPA-CQSZACIVSA-N 2 0 267.417 1.533 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001716075661 1180032938 /nfs/dbraw/zinc/03/29/38/1180032938.db2.gz PHPWOEYBOWNGHO-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716249430 1180119487 /nfs/dbraw/zinc/11/94/87/1180119487.db2.gz WQTNASKQNHOZSS-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001716513705 1180263229 /nfs/dbraw/zinc/26/32/29/1180263229.db2.gz GMTJQRLGMQLMED-HOCLYGCPSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001717485705 1180701451 /nfs/dbraw/zinc/70/14/51/1180701451.db2.gz QWQCWSPUJAIKTQ-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001717861599 1180898646 /nfs/dbraw/zinc/89/86/46/1180898646.db2.gz YSLBOQXVCIKQLV-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001717886892 1180914176 /nfs/dbraw/zinc/91/41/76/1180914176.db2.gz IUCWEQYYKPOGMQ-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001717883862 1180912763 /nfs/dbraw/zinc/91/27/63/1180912763.db2.gz FBSLQUKAJNBGET-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001723528977 1181583733 /nfs/dbraw/zinc/58/37/33/1181583733.db2.gz IXEDHELLLFGJJY-KGLIPLIRSA-N 2 0 277.412 1.428 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001723594164 1181590704 /nfs/dbraw/zinc/59/07/04/1181590704.db2.gz BTPIZZGTOPNELB-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001723967518 1181625826 /nfs/dbraw/zinc/62/58/26/1181625826.db2.gz ULDBVKUBEJGJSE-HNNXBMFYSA-N 2 0 291.439 1.629 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001724589129 1181700639 /nfs/dbraw/zinc/70/06/39/1181700639.db2.gz YHXBIRUKXLPPLK-KGLIPLIRSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001724754492 1181741604 /nfs/dbraw/zinc/74/16/04/1181741604.db2.gz GRJZLAYJDZSLBE-JYJNAYRXSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001724798229 1181757288 /nfs/dbraw/zinc/75/72/88/1181757288.db2.gz GFVDSMUBYOMJFI-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001725051930 1181835962 /nfs/dbraw/zinc/83/59/62/1181835962.db2.gz DZYIMDSHXUJAFU-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001725243695 1181935005 /nfs/dbraw/zinc/93/50/05/1181935005.db2.gz YTUFXZZDORFEHQ-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001725465714 1182009846 /nfs/dbraw/zinc/00/98/46/1182009846.db2.gz GWCLHZZOXZZPOR-BPUTZDHNSA-N 2 0 291.439 1.177 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001725684957 1182097604 /nfs/dbraw/zinc/09/76/04/1182097604.db2.gz ZAIGGWIWSYHLET-ZIAGYGMSSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001725753919 1182121602 /nfs/dbraw/zinc/12/16/02/1182121602.db2.gz YJHMXMQDKYWQKP-CQSZACIVSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001731313797 1182312775 /nfs/dbraw/zinc/31/27/75/1182312775.db2.gz BTKLUQYJHLRQEZ-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001731622171 1182485837 /nfs/dbraw/zinc/48/58/37/1182485837.db2.gz KCZWTFIRJDCWNO-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001731710258 1182526917 /nfs/dbraw/zinc/52/69/17/1182526917.db2.gz DZHKHPYEVOELDS-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001731730253 1182536729 /nfs/dbraw/zinc/53/67/29/1182536729.db2.gz RNQYKJWSHRTPBG-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731857828 1182631942 /nfs/dbraw/zinc/63/19/42/1182631942.db2.gz NBFKGLXIKDSCSB-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001732025692 1182728359 /nfs/dbraw/zinc/72/83/59/1182728359.db2.gz FSWFUVGCDZFVGL-HOTGVXAUSA-N 2 0 287.407 1.571 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)CCC[NH+](C)C)c1ccccc1 ZINC001732021000 1182728471 /nfs/dbraw/zinc/72/84/71/1182728471.db2.gz FBWPYVJRPXVLNX-INIZCTEOSA-N 2 0 287.407 1.409 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001732083233 1182757165 /nfs/dbraw/zinc/75/71/65/1182757165.db2.gz GYIBVHMLTISNFS-INIZCTEOSA-N 2 0 293.455 1.829 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)C[N@@H+](C)C2CCC2)CCCC1 ZINC001732231998 1182871347 /nfs/dbraw/zinc/87/13/47/1182871347.db2.gz XMTBQJSKMNJVHX-UHFFFAOYSA-N 2 0 277.412 1.123 10 30 CDEERP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001732310114 1182902044 /nfs/dbraw/zinc/90/20/44/1182902044.db2.gz NCEBFTWJYRPFFK-SHTZXODSSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001732422681 1182957994 /nfs/dbraw/zinc/95/79/94/1182957994.db2.gz JVTQZDQWSRLIGN-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732700636 1183091965 /nfs/dbraw/zinc/09/19/65/1183091965.db2.gz COEGYRZXMGDTIE-LBPRGKRZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001733024071 1183242526 /nfs/dbraw/zinc/24/25/26/1183242526.db2.gz ITYBKHGFPHJDJU-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001733176532 1183318463 /nfs/dbraw/zinc/31/84/63/1183318463.db2.gz KPKLUTVPNABLET-CQSZACIVSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001733758798 1183522647 /nfs/dbraw/zinc/52/26/47/1183522647.db2.gz BSJIHZXUNLYUII-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001733778649 1183529650 /nfs/dbraw/zinc/52/96/50/1183529650.db2.gz MCUDJZPXDPKJKH-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)C1 ZINC001734153716 1183676898 /nfs/dbraw/zinc/67/68/98/1183676898.db2.gz JUPFUSHGYZBMDZ-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001734162297 1183679525 /nfs/dbraw/zinc/67/95/25/1183679525.db2.gz NISKYCZMRHLQDZ-FPCVCCKLSA-N 2 0 291.439 1.341 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000876973313 723167181 /nfs/dbraw/zinc/16/71/81/723167181.db2.gz DCXJPJSZWSAVKP-GHMZBOCLSA-N 2 0 259.781 1.057 10 30 CDEERP C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849044249 723338435 /nfs/dbraw/zinc/33/84/35/723338435.db2.gz CBZLHRCKJHIONY-IHRRRGAJSA-N 2 0 280.416 1.176 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793080 723482914 /nfs/dbraw/zinc/48/29/14/723482914.db2.gz GJCSMYQDTDHMGV-NSHDSACASA-N 2 0 271.792 1.058 10 30 CDEERP C[NH+]=C(NCc1ccn(C)c1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261959864 723072388 /nfs/dbraw/zinc/07/23/88/723072388.db2.gz JVKKOFZEOPOVKF-DZGCQCFKSA-N 2 0 291.443 1.419 10 30 CDEERP C=CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001566051945 1168222111 /nfs/dbraw/zinc/22/21/11/1168222111.db2.gz KHQRLCFLMORJPO-CABCVRRESA-N 2 0 279.428 1.295 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001566792898 1168424512 /nfs/dbraw/zinc/42/45/12/1168424512.db2.gz CGGISPCPBZDPLG-KKUMJFAQSA-N 2 0 279.428 1.674 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566905491 1168461958 /nfs/dbraw/zinc/46/19/58/1168461958.db2.gz QKEWGEHOUYJXEY-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567167406 1168604595 /nfs/dbraw/zinc/60/45/95/1168604595.db2.gz OHKXTFQDLCBULO-CABCVRRESA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001567265400 1168644271 /nfs/dbraw/zinc/64/42/71/1168644271.db2.gz WMAQKPJYGALFAC-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001567301529 1168668329 /nfs/dbraw/zinc/66/83/29/1168668329.db2.gz CFKMUWQDWUSRAX-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC[C@H](C)F)CC1 ZINC001567324317 1168680087 /nfs/dbraw/zinc/68/00/87/1168680087.db2.gz JWMFXJOHSZTHTI-AWEZNQCLSA-N 2 0 297.418 1.128 10 30 CDEERP C=CCC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001567324678 1168680177 /nfs/dbraw/zinc/68/01/77/1168680177.db2.gz YAKXTHYCXWMNHR-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001567347571 1168694669 /nfs/dbraw/zinc/69/46/69/1168694669.db2.gz HZUSRBYZECVNTE-UHFFFAOYSA-N 2 0 269.433 1.588 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001266426197 894809138 /nfs/dbraw/zinc/80/91/38/894809138.db2.gz HQHLCKZLHPBLSS-BPUTZDHNSA-N 2 0 293.455 1.777 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001266939445 896400138 /nfs/dbraw/zinc/40/01/38/896400138.db2.gz IDSYYEWERYQFOE-SOUVJXGZSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267121583 896851064 /nfs/dbraw/zinc/85/10/64/896851064.db2.gz CENBMYCHYVMLDG-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001267217421 897181215 /nfs/dbraw/zinc/18/12/15/897181215.db2.gz GOCHEMMPRVJWRN-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001279235451 897320999 /nfs/dbraw/zinc/32/09/99/897320999.db2.gz FFQXNNONACANDG-RUXDESIVSA-N 2 0 285.407 1.431 10 30 CDEERP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001267301680 897522192 /nfs/dbraw/zinc/52/21/92/897522192.db2.gz DHRVZKSNPAWZBO-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267305748 897542215 /nfs/dbraw/zinc/54/22/15/897542215.db2.gz CGCHUSXOAWGCBK-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001481072440 898725801 /nfs/dbraw/zinc/72/58/01/898725801.db2.gz UDQZPUJAROGUDW-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001267817769 899806023 /nfs/dbraw/zinc/80/60/23/899806023.db2.gz RTXBUIOLNZMXNM-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001268010849 900279851 /nfs/dbraw/zinc/27/98/51/900279851.db2.gz RDRGCYVMRLVXTF-GJZGRUSLSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001481436970 900661697 /nfs/dbraw/zinc/66/16/97/900661697.db2.gz BPLKSDQILKMMQZ-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001268247455 901658248 /nfs/dbraw/zinc/65/82/48/901658248.db2.gz LXMLVOQRIRYVQI-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268253227 901674680 /nfs/dbraw/zinc/67/46/80/901674680.db2.gz MYFFMOHIADUYGO-UHFFFAOYSA-N 2 0 289.423 1.938 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268706801 902992195 /nfs/dbraw/zinc/99/21/95/902992195.db2.gz VBJJXOSBLPRBQY-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001268828881 903164604 /nfs/dbraw/zinc/16/46/04/903164604.db2.gz OWAYSYNWPIYUPL-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH+]1CC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001269293726 903667863 /nfs/dbraw/zinc/66/78/63/903667863.db2.gz ZNUXPVMUZQRXQR-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001269736583 904075833 /nfs/dbraw/zinc/07/58/33/904075833.db2.gz DXIIFYDARSPHHL-CQSZACIVSA-N 2 0 290.411 1.747 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001270785697 905038366 /nfs/dbraw/zinc/03/83/66/905038366.db2.gz PZUJSEASHJEVNC-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001482397069 905295199 /nfs/dbraw/zinc/29/51/99/905295199.db2.gz SKPFSEYALDISRT-HUUCEWRRSA-N 2 0 281.444 1.470 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001271425630 906332041 /nfs/dbraw/zinc/33/20/41/906332041.db2.gz ISBLZMCTZHKYIY-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001271510458 906490565 /nfs/dbraw/zinc/49/05/65/906490565.db2.gz WUQZVVILVAZBNU-HUUCEWRRSA-N 2 0 289.423 1.075 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001271548313 906507070 /nfs/dbraw/zinc/50/70/70/906507070.db2.gz CFGPZVFVYNXMCS-HUUCEWRRSA-N 2 0 291.439 1.485 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482887334 908460452 /nfs/dbraw/zinc/46/04/52/908460452.db2.gz AEJQUYKJUVUTAE-QWHCGFSZSA-N 2 0 287.835 1.565 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483012352 908689726 /nfs/dbraw/zinc/68/97/26/908689726.db2.gz UAFLILOQSUPQHG-BWPKMQGJSA-N 2 0 277.412 1.166 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001483347364 910946600 /nfs/dbraw/zinc/94/66/00/910946600.db2.gz JDBOSLCXBPULTA-LBPRGKRZSA-N 2 0 253.390 1.093 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001507415678 911103393 /nfs/dbraw/zinc/10/33/93/911103393.db2.gz LKCRHKORTIESDQ-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001568131734 1169143437 /nfs/dbraw/zinc/14/34/37/1169143437.db2.gz SHPSFVIJWLZBRO-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001483811547 915093466 /nfs/dbraw/zinc/09/34/66/915093466.db2.gz QWYPOGHLWGKGEZ-CABCVRRESA-N 2 0 277.412 1.027 10 30 CDEERP C#CCC[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484062413 915379346 /nfs/dbraw/zinc/37/93/46/915379346.db2.gz BSNSZVHXTWDACH-KRWDZBQOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001484378289 915692250 /nfs/dbraw/zinc/69/22/50/915692250.db2.gz WOUUXKQXOFTEKJ-CABCVRRESA-N 2 0 295.471 1.834 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001484663105 916011698 /nfs/dbraw/zinc/01/16/98/916011698.db2.gz HRRPUGLWUFVXLC-OKILXGFUSA-N 2 0 277.412 1.121 10 30 CDEERP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001485068672 916454433 /nfs/dbraw/zinc/45/44/33/916454433.db2.gz GTHHXLWHCIISLC-GJZGRUSLSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001265928691 936558608 /nfs/dbraw/zinc/55/86/08/936558608.db2.gz MLCOVOWOTQKJOC-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001485892154 920552979 /nfs/dbraw/zinc/55/29/79/920552979.db2.gz MZHNDKANBLUVTD-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001485961924 920633081 /nfs/dbraw/zinc/63/30/81/920633081.db2.gz VCUGUMMMUPMWHV-ZDUSSCGKSA-N 2 0 255.406 1.339 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001486247085 920839992 /nfs/dbraw/zinc/83/99/92/920839992.db2.gz XXDLBIIJVNNPCL-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001490933654 936833865 /nfs/dbraw/zinc/83/38/65/936833865.db2.gz ITGSTOAXSUINPV-KLHDSHLOSA-N 2 0 289.423 1.263 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001491048294 936846348 /nfs/dbraw/zinc/84/63/48/936846348.db2.gz RKJWLLSUBXYVJI-OKILXGFUSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001491069243 936850598 /nfs/dbraw/zinc/85/05/98/936850598.db2.gz GGGLWUMRZZNXDO-YHUYYLMFSA-N 2 0 293.455 1.920 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001491085415 936852608 /nfs/dbraw/zinc/85/26/08/936852608.db2.gz MPDWGQMCWGTDPP-GASCZTMLSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001568379200 1169268246 /nfs/dbraw/zinc/26/82/46/1169268246.db2.gz OKCCIDCBDFOEIF-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC001141746612 936933032 /nfs/dbraw/zinc/93/30/32/936933032.db2.gz YLHMEJJIGWXADO-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001488999715 926770110 /nfs/dbraw/zinc/77/01/10/926770110.db2.gz CKWBLRSGDOOBAQ-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001489350059 926877582 /nfs/dbraw/zinc/87/75/82/926877582.db2.gz NXQRWSMPQKNOSE-GJZGRUSLSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001274288517 931488344 /nfs/dbraw/zinc/48/83/44/931488344.db2.gz JJSMVBLBKRQPSR-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC001137033688 931504718 /nfs/dbraw/zinc/50/47/18/931504718.db2.gz LKRMFCSRIZIMJA-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568551716 1169363579 /nfs/dbraw/zinc/36/35/79/1169363579.db2.gz PWZWTSHDLOBRQL-AWEZNQCLSA-N 2 0 269.433 1.539 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001276013425 932236409 /nfs/dbraw/zinc/23/64/09/932236409.db2.gz XUPLBRDHCGXHBO-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[C@H]1CCCN(C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001120649187 937821634 /nfs/dbraw/zinc/82/16/34/937821634.db2.gz OWXQKBBNYQIJHV-AWEZNQCLSA-N 2 0 294.443 1.407 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001568674298 1169425744 /nfs/dbraw/zinc/42/57/44/1169425744.db2.gz KADHANZWDMKAIZ-QWHCGFSZSA-N 2 0 289.851 1.810 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001329522496 940204229 /nfs/dbraw/zinc/20/42/29/940204229.db2.gz HTTCYBWFJGSONL-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001276588564 940392179 /nfs/dbraw/zinc/39/21/79/940392179.db2.gz JJUGTRKHKGSXEC-HOTGVXAUSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001276867777 941661068 /nfs/dbraw/zinc/66/10/68/941661068.db2.gz UFNYMDYIYVKUGY-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001276970058 941750915 /nfs/dbraw/zinc/75/09/15/941750915.db2.gz LQZKOIHUPIUDFS-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001282390795 942704793 /nfs/dbraw/zinc/70/47/93/942704793.db2.gz IQGLLGNXKDTISW-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001282425917 942711367 /nfs/dbraw/zinc/71/13/67/942711367.db2.gz SHHKXCQBLHOFLM-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001282652899 942735512 /nfs/dbraw/zinc/73/55/12/942735512.db2.gz CIDKUDCVCDCUAA-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001316623487 942807315 /nfs/dbraw/zinc/80/73/15/942807315.db2.gz HIOKBIZJTNBYKR-SOUVJXGZSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001283061783 942814849 /nfs/dbraw/zinc/81/48/49/942814849.db2.gz FXTZUPSBBLCQOK-BZUAXINKSA-N 2 0 293.455 1.777 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001283681630 942967256 /nfs/dbraw/zinc/96/72/56/942967256.db2.gz YCSNTLJESQQVHS-AWEZNQCLSA-N 2 0 281.444 1.424 10 30 CDEERP C=CC[NH+]1CC=C(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001284958494 943301731 /nfs/dbraw/zinc/30/17/31/943301731.db2.gz XRJIPSFYUDRHNZ-AWEZNQCLSA-N 2 0 277.412 1.263 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001277843616 943791340 /nfs/dbraw/zinc/79/13/40/943791340.db2.gz FRLAZZBCIGMRAY-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001264376955 944120261 /nfs/dbraw/zinc/12/02/61/944120261.db2.gz RHBHMULJVYLHHJ-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001264558312 944149707 /nfs/dbraw/zinc/14/97/07/944149707.db2.gz KZRNEGIKPDZSMB-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1CC ZINC001264610127 944154222 /nfs/dbraw/zinc/15/42/22/944154222.db2.gz SKNXKOUQHHTAOE-JKSUJKDBSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001277954172 944206643 /nfs/dbraw/zinc/20/66/43/944206643.db2.gz NHQHPIMJJDRPEK-CVEARBPZSA-N 2 0 293.455 1.709 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001265357200 944356792 /nfs/dbraw/zinc/35/67/92/944356792.db2.gz VYRBMYQDFOVPOK-JKSUJKDBSA-N 2 0 291.439 1.389 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001265459824 944396589 /nfs/dbraw/zinc/39/65/89/944396589.db2.gz OPPGFVIVEPUMCQ-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001265658252 944460846 /nfs/dbraw/zinc/46/08/46/944460846.db2.gz VDNAWZRWFPUYFX-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266029404 944642741 /nfs/dbraw/zinc/64/27/41/944642741.db2.gz PRVSSNNKQCURPX-HUUCEWRRSA-N 2 0 279.428 1.034 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568898571 1169540109 /nfs/dbraw/zinc/54/01/09/1169540109.db2.gz OLXFUNUJASHMBK-VOTSOKGWSA-N 2 0 277.412 1.146 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001278922639 948260125 /nfs/dbraw/zinc/26/01/25/948260125.db2.gz SVVZGLMBTBLSBV-UHFFFAOYSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001480046700 971552897 /nfs/dbraw/zinc/55/28/97/971552897.db2.gz LLTMIOCHYBBBJQ-CQSZACIVSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480120744 971585528 /nfs/dbraw/zinc/58/55/28/971585528.db2.gz PHBJMGQTWCDYLW-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001480144334 971599523 /nfs/dbraw/zinc/59/95/23/971599523.db2.gz GGCDFRJVSITMII-MGPQQGTHSA-N 2 0 267.417 1.530 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480294944 971661757 /nfs/dbraw/zinc/66/17/57/971661757.db2.gz SCCAOHAQXJHCTR-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001480359887 971686209 /nfs/dbraw/zinc/68/62/09/971686209.db2.gz RJDQWPSCWKHVGB-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480386669 971697214 /nfs/dbraw/zinc/69/72/14/971697214.db2.gz LEFMRIGUWDWRGP-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001324661163 953504018 /nfs/dbraw/zinc/50/40/18/953504018.db2.gz LXZVOMIHRNVLLC-ZBFHGGJFSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001324973679 953663373 /nfs/dbraw/zinc/66/33/73/953663373.db2.gz ZCJGWCPDKPNVJW-GDBMZVCRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001493137014 971957657 /nfs/dbraw/zinc/95/76/57/971957657.db2.gz CPLUGXGQJZTTMT-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001493212387 971986253 /nfs/dbraw/zinc/98/62/53/971986253.db2.gz WFCJRVXWEZEFQZ-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001493255072 971995117 /nfs/dbraw/zinc/99/51/17/971995117.db2.gz NWKZLVHKTZPTCG-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001327541002 954924667 /nfs/dbraw/zinc/92/46/67/954924667.db2.gz LPSJEFZTYMDCCB-KRWDZBQOSA-N 2 0 291.439 1.276 10 30 CDEERP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317176736 955292383 /nfs/dbraw/zinc/29/23/83/955292383.db2.gz DMTGLQGFKBHEJF-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001493586604 972085828 /nfs/dbraw/zinc/08/58/28/972085828.db2.gz YLKGATUILKSJBM-LBPRGKRZSA-N 2 0 275.824 1.373 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001492164987 955663455 /nfs/dbraw/zinc/66/34/55/955663455.db2.gz KTKCZVXXYOAEDF-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001493830096 972122962 /nfs/dbraw/zinc/12/29/62/972122962.db2.gz MMYIUAMLEUREEO-AWEZNQCLSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001329846576 956139286 /nfs/dbraw/zinc/13/92/86/956139286.db2.gz UXZDWVKFRDHJGH-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001316737066 956263817 /nfs/dbraw/zinc/26/38/17/956263817.db2.gz FRNAMIMFTUMOQO-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317532539 956800284 /nfs/dbraw/zinc/80/02/84/956800284.db2.gz LOFQPFJIZNGQFP-HZPDHXFCSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001316825598 957050647 /nfs/dbraw/zinc/05/06/47/957050647.db2.gz TZBDMYOKVMFOOO-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001317161082 957314251 /nfs/dbraw/zinc/31/42/51/957314251.db2.gz FVJDCCREIOFPQJ-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317194294 957335949 /nfs/dbraw/zinc/33/59/49/957335949.db2.gz WYZXCFPZGGEICF-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317324380 957422866 /nfs/dbraw/zinc/42/28/66/957422866.db2.gz AFQHHUULNFGNSC-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@H]12 ZINC001332099814 957432567 /nfs/dbraw/zinc/43/25/67/957432567.db2.gz LAGSETDOEXZDPW-DOTOQJQBSA-N 2 0 291.439 1.770 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317656171 957625090 /nfs/dbraw/zinc/62/50/90/957625090.db2.gz VSAADDJBZOBZPL-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001318228026 957987747 /nfs/dbraw/zinc/98/77/47/957987747.db2.gz ALPNMNDEKBRGIB-GJZGRUSLSA-N 2 0 277.412 1.334 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001367411253 957998342 /nfs/dbraw/zinc/99/83/42/957998342.db2.gz XXJKYAHAMNTVDE-NEPJUHHUSA-N 2 0 273.808 1.127 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001318538506 958160825 /nfs/dbraw/zinc/16/08/25/958160825.db2.gz UKJLQSCZZXNQOA-KGLIPLIRSA-N 2 0 269.433 1.633 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001367676879 958207796 /nfs/dbraw/zinc/20/77/96/958207796.db2.gz QAYJUKVGEZEAJV-OLZOCXBDSA-N 2 0 287.835 1.708 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001319454396 958573850 /nfs/dbraw/zinc/57/38/50/958573850.db2.gz NDACIDDZNHIEOF-GJZGRUSLSA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001319594975 958646157 /nfs/dbraw/zinc/64/61/57/958646157.db2.gz XUSGAYFHKACERH-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001319819543 958737863 /nfs/dbraw/zinc/73/78/63/958737863.db2.gz UNGPMGQOKXRTLI-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001320440625 959174797 /nfs/dbraw/zinc/17/47/97/959174797.db2.gz UXKZBJRWUCYQBZ-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)C[N@@H+](C)CCC)CCCC1 ZINC001495205208 972437217 /nfs/dbraw/zinc/43/72/17/972437217.db2.gz XIZDVLSEXXXHGT-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001321418750 959774822 /nfs/dbraw/zinc/77/48/22/959774822.db2.gz IMAVBWURRKUXRS-LZNQSLFOSA-N 2 0 277.412 1.146 10 30 CDEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001495278590 972464243 /nfs/dbraw/zinc/46/42/43/972464243.db2.gz WWOTUUCWDXOCRY-RHSMWYFYSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001322243179 960150106 /nfs/dbraw/zinc/15/01/06/960150106.db2.gz CMQVHDATJUCONY-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001340846231 963153695 /nfs/dbraw/zinc/15/36/95/963153695.db2.gz JYMXSUPADSQTKR-ZOBORPQBSA-N 2 0 279.428 1.563 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)C2=CCC[NH2+]CC2)CC1 ZINC001340852023 963156135 /nfs/dbraw/zinc/15/61/35/963156135.db2.gz CLHAYPXNPXXWQB-UHFFFAOYSA-N 2 0 263.385 1.063 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)c2ccccc2C[NH3+])CC1 ZINC001343423308 963978661 /nfs/dbraw/zinc/97/86/61/963978661.db2.gz GOZXFRPNAGXSHY-UHFFFAOYSA-N 2 0 273.380 1.526 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C[NH+](C)[C@H]1CCSC1 ZINC001556467022 965046550 /nfs/dbraw/zinc/04/65/50/965046550.db2.gz WUJPDOJBPOBXEE-AWEZNQCLSA-N 2 0 299.484 1.390 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC001356455105 969401814 /nfs/dbraw/zinc/40/18/14/969401814.db2.gz ZJCCPWOMVKILEI-UKRRQHHQSA-N 2 0 265.401 1.191 10 30 CDEERP C=CC[C@]1(C(=O)NCc2cc(N(C)C)cc[nH+]2)CCC[NH2+]1 ZINC001522625301 970523741 /nfs/dbraw/zinc/52/37/41/970523741.db2.gz BVFRWXUIKJEWEG-MRXNPFEDSA-N 2 0 288.395 1.462 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001371618041 972568454 /nfs/dbraw/zinc/56/84/54/972568454.db2.gz QXUSDNHHCHAKEZ-OCCSQVGLSA-N 2 0 299.846 1.519 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[N@@H+](C)CCC ZINC001496211110 972833635 /nfs/dbraw/zinc/83/36/35/972833635.db2.gz UFARWCCXOHRYFQ-CQSZACIVSA-N 2 0 267.417 1.178 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001496626118 972998122 /nfs/dbraw/zinc/99/81/22/972998122.db2.gz DLVBBBSAIWOFRX-ZDUSSCGKSA-N 2 0 299.846 1.565 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001497278736 973272951 /nfs/dbraw/zinc/27/29/51/973272951.db2.gz XZKGLBJZRVHINB-JKSUJKDBSA-N 2 0 293.455 1.759 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCC1 ZINC001501988433 974669454 /nfs/dbraw/zinc/66/94/54/974669454.db2.gz JLRZVEUIUUZBMX-UHFFFAOYSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001502074614 974688610 /nfs/dbraw/zinc/68/86/10/974688610.db2.gz KYVDIGCCTUKUCS-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001502345501 974721211 /nfs/dbraw/zinc/72/12/11/974721211.db2.gz FVVYNTNDSOFMBI-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001505980555 975069358 /nfs/dbraw/zinc/06/93/58/975069358.db2.gz DOOJGAVJTISTLI-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001506001423 975079133 /nfs/dbraw/zinc/07/91/33/975079133.db2.gz AFBXRADNTWWQSR-AWEZNQCLSA-N 2 0 281.444 1.424 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001506036081 975095320 /nfs/dbraw/zinc/09/53/20/975095320.db2.gz FOAIOWFYXMNNMW-AWEZNQCLSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001676783369 1174271406 /nfs/dbraw/zinc/27/14/06/1174271406.db2.gz KRFTXRAEFGNDNE-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001676872701 1174284778 /nfs/dbraw/zinc/28/47/78/1174284778.db2.gz KZALGXXNQLYUOG-GJZGRUSLSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC1(C)C ZINC001677033028 1174308725 /nfs/dbraw/zinc/30/87/25/1174308725.db2.gz QMWOTRATRDGWHW-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+](C)CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001677198979 1174331891 /nfs/dbraw/zinc/33/18/91/1174331891.db2.gz NTOGMWDGPIEBGI-MRXNPFEDSA-N 2 0 293.455 1.683 10 30 CDEERP C#CC[NH+]1CCC([C@H](C)NC(=O)CCCC[NH+](C)C)CC1 ZINC001677368004 1174354096 /nfs/dbraw/zinc/35/40/96/1174354096.db2.gz SHRTZSCBKGRUTG-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCOCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001570184021 1170104493 /nfs/dbraw/zinc/10/44/93/1170104493.db2.gz WCZDICIIQUMLHG-HNNXBMFYSA-N 2 0 297.443 1.111 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001570516588 1170174234 /nfs/dbraw/zinc/17/42/34/1170174234.db2.gz BRHAFSQPYRCOCI-AWEZNQCLSA-N 2 0 290.411 1.807 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001570573287 1170193814 /nfs/dbraw/zinc/19/38/14/1170193814.db2.gz PIFVAAUKXBGHLS-NRXISQOPSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001570753348 1170272740 /nfs/dbraw/zinc/27/27/40/1170272740.db2.gz HQUZMKFUJWMFPG-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001571326149 1170366102 /nfs/dbraw/zinc/36/61/02/1170366102.db2.gz OPWZPSRTPWVYRW-MRXNPFEDSA-N 2 0 293.455 1.760 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001571488707 1170452152 /nfs/dbraw/zinc/45/21/52/1170452152.db2.gz GYXYSGDRHHZICP-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000651706700 398156610 /nfs/dbraw/zinc/15/66/10/398156610.db2.gz KFGQHGUPQCWJBF-BZUAXINKSA-N 2 0 293.455 1.908 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000594427597 342897067 /nfs/dbraw/zinc/89/70/67/342897067.db2.gz VEVXWLAXPWWPDV-ZDUSSCGKSA-N 2 0 260.341 1.495 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000594435508 342898801 /nfs/dbraw/zinc/89/88/01/342898801.db2.gz GNZCMQSCVPPUIC-OLZOCXBDSA-N 2 0 266.389 1.046 10 30 CDEERP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594438900 342906488 /nfs/dbraw/zinc/90/64/88/342906488.db2.gz MTRMSRGWSPHPLJ-CABCVRRESA-N 2 0 294.443 1.588 10 30 CDEERP CC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594440531 342907069 /nfs/dbraw/zinc/90/70/69/342907069.db2.gz DWKQJBBDDMLGRL-CQSZACIVSA-N 2 0 280.416 1.340 10 30 CDEERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CCCCC#N)C[C@H]1C ZINC000594440093 342907085 /nfs/dbraw/zinc/90/70/85/342907085.db2.gz ZKSLXUYXQKWTSU-ILXRZTDVSA-N 2 0 294.443 1.729 10 30 CDEERP CC(C)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594441256 342907389 /nfs/dbraw/zinc/90/73/89/342907389.db2.gz PXCOVNXGLHFOHY-HNNXBMFYSA-N 2 0 294.443 1.634 10 30 CDEERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441864 342907834 /nfs/dbraw/zinc/90/78/34/342907834.db2.gz XLPSIKODBBTZBY-KBPBESRZSA-N 2 0 280.416 1.388 10 30 CDEERP C[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594444840 342908414 /nfs/dbraw/zinc/90/84/14/342908414.db2.gz ZCRCTVMMZUHIPX-NEPJUHHUSA-N 2 0 254.378 1.031 10 30 CDEERP CN(CC[NH+]1CCCCC1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594452688 342910360 /nfs/dbraw/zinc/91/03/60/342910360.db2.gz HQIOQMFRAMJFRS-CQSZACIVSA-N 2 0 280.416 1.342 10 30 CDEERP C[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)C[NH+]1CCCC1 ZINC000600717256 342244288 /nfs/dbraw/zinc/24/42/88/342244288.db2.gz PRSJHSATCZAQQN-KBPBESRZSA-N 2 0 265.401 1.363 10 30 CDEERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000594556744 342915833 /nfs/dbraw/zinc/91/58/33/342915833.db2.gz QNMAOWMZRURJMS-CFVMTHIKSA-N 2 0 286.379 1.014 10 30 CDEERP N#CC1(c2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000597025950 343437426 /nfs/dbraw/zinc/43/74/26/343437426.db2.gz HBSFUMJTXVYNCH-HUUCEWRRSA-N 2 0 267.376 1.893 10 30 CDEERP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1C#N ZINC000600712301 349876784 /nfs/dbraw/zinc/87/67/84/349876784.db2.gz WRVPGAITWSIVME-KRWDZBQOSA-N 2 0 284.407 1.346 10 30 CDEERP C=CCN1CC[C@H]([N@@H+]2CCC3(C2)CC[NH+](C)CC3)C1=O ZINC000639754554 364747035 /nfs/dbraw/zinc/74/70/35/364747035.db2.gz CESXYEMJVRTQHN-AWEZNQCLSA-N 2 0 277.412 1.191 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCC[NH2+]1 ZINC000638515067 370542384 /nfs/dbraw/zinc/54/23/84/370542384.db2.gz XOQJRNFYCIRAQV-DOMZBBRYSA-N 2 0 263.385 1.086 10 30 CDEERP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358182562 373946560 /nfs/dbraw/zinc/94/65/60/373946560.db2.gz COLARZJORUPLLC-DOMZBBRYSA-N 2 0 259.353 1.477 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001661843037 1172454197 /nfs/dbraw/zinc/45/41/97/1172454197.db2.gz YTICFUHPMMKZEL-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP CC1CC[NH+](CCNC(=[NH2+])NCCc2ccccn2)CC1 ZINC000071847235 379662589 /nfs/dbraw/zinc/66/25/89/379662589.db2.gz FBVMSVLLRCWDDB-UHFFFAOYSA-N 2 0 289.427 1.260 10 30 CDEERP C=CCOCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657659441 412963980 /nfs/dbraw/zinc/96/39/80/412963980.db2.gz XRWDOEDZCDGHEC-UHFFFAOYSA-N 2 0 272.352 1.950 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC(C[NH2+]C)CC2)CCC[NH2+]1 ZINC000662415822 412989173 /nfs/dbraw/zinc/98/91/73/412989173.db2.gz ZSFKQFPQXAWASE-OAHLLOKOSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC(C[NH2+]CC)CC2)CCC[NH2+]1 ZINC000662428065 413006468 /nfs/dbraw/zinc/00/64/68/413006468.db2.gz AOMRMQZFZALPBN-INIZCTEOSA-N 2 0 279.428 1.533 10 30 CDEERP CC[N@@H+]1CC[C@H]([NH+](C)CCOCCC#N)C[C@H]1C ZINC000339009744 391240742 /nfs/dbraw/zinc/24/07/42/391240742.db2.gz ICNYDYKSNPHLKS-KGLIPLIRSA-N 2 0 253.390 1.721 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647799584 391661915 /nfs/dbraw/zinc/66/19/15/391661915.db2.gz LERVVMWPKUZCRR-LXFSFDBISA-N 2 0 250.386 1.555 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H](C)CCCC[NH3+])CCC[NH2+]1 ZINC000662781675 413488998 /nfs/dbraw/zinc/48/89/98/413488998.db2.gz XXWAPHBDWAMGPT-TZMCWYRMSA-N 2 0 253.390 1.318 10 30 CDEERP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CC[NH+](CC)CC1 ZINC000662081522 414502927 /nfs/dbraw/zinc/50/29/27/414502927.db2.gz UHDLQGWJENSGHG-IYBDPMFKSA-N 2 0 291.439 1.770 10 30 CDEERP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043684112 175092764 /nfs/dbraw/zinc/09/27/64/175092764.db2.gz XIBRSZSZMNTLRE-NEPJUHHUSA-N 2 0 291.420 1.144 10 30 CDEERP CC(C)[NH+]1CCN(Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043688927 175095367 /nfs/dbraw/zinc/09/53/67/175095367.db2.gz RAYLYBRLVICTOC-UHFFFAOYSA-N 2 0 277.437 1.584 10 30 CDEERP CC(C)N[C@@](C)(C#N)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045182213 175325783 /nfs/dbraw/zinc/32/57/83/175325783.db2.gz BTELJMQURYGEIY-MRXNPFEDSA-N 2 0 280.460 1.930 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001667494124 1173274863 /nfs/dbraw/zinc/27/48/63/1173274863.db2.gz RXCHJQDOIPTUMS-STQMWFEESA-N 2 0 255.406 1.243 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001667663863 1173305845 /nfs/dbraw/zinc/30/58/45/1173305845.db2.gz CWXGIKXJHXODDS-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001673439462 1173857101 /nfs/dbraw/zinc/85/71/01/1173857101.db2.gz UIQDTQXNDQLNPF-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001673491244 1173864431 /nfs/dbraw/zinc/86/44/31/1173864431.db2.gz HDBJZRAFWWAQBG-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001725118174 1159123245 /nfs/dbraw/zinc/12/32/45/1159123245.db2.gz JSZQMVXIQLMSTK-ZIAGYGMSSA-N 2 0 281.444 1.776 10 30 CDEERP C[C@H]1CN(C(=[NH2+])NC[C@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC000262305316 330005102 /nfs/dbraw/zinc/00/51/02/330005102.db2.gz AIAXZLDNKFHMCF-QWHCGFSZSA-N 2 0 282.432 1.142 10 30 CDEERP CC(C)(C)NC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000262427609 330010008 /nfs/dbraw/zinc/01/00/08/330010008.db2.gz DFCPKOMTYOTSMP-UHFFFAOYSA-N 2 0 252.406 1.706 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001731616009 1159315439 /nfs/dbraw/zinc/31/54/39/1159315439.db2.gz KQGQQTWTJCGVFA-RDBSUJKOSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001691675554 1161557239 /nfs/dbraw/zinc/55/72/39/1161557239.db2.gz DTMNZFVNQQSIFC-JKSUJKDBSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001734040441 1183630664 /nfs/dbraw/zinc/63/06/64/1183630664.db2.gz GMGJHHYGVGNZJV-LBPRGKRZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353619835 527189767 /nfs/dbraw/zinc/18/97/67/527189767.db2.gz JDSVUPHDWFTOLH-BYNSBNAKSA-N 2 0 252.402 1.633 10 30 CDEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001689097139 1175096708 /nfs/dbraw/zinc/09/67/08/1175096708.db2.gz RBWRNCBQXKASHM-PMPSAXMXSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218424 613027561 /nfs/dbraw/zinc/02/75/61/613027561.db2.gz XMMOHERNOUZBQS-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941217299 613335656 /nfs/dbraw/zinc/33/56/56/613335656.db2.gz MGBSUOMEOYNDIL-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941157722 613743709 /nfs/dbraw/zinc/74/37/09/613743709.db2.gz FSCZWXIKVJGPHX-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939256423 613868767 /nfs/dbraw/zinc/86/87/67/613868767.db2.gz CJIDXFVNIODUIY-DZGCQCFKSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926705279 617461052 /nfs/dbraw/zinc/46/10/52/617461052.db2.gz RXCWXSAWNBZJPS-MQVJKMGUSA-N 2 0 282.428 1.811 10 30 CDEERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000903493888 626011074 /nfs/dbraw/zinc/01/10/74/626011074.db2.gz ZKXTYZGXDYLYOR-UXLLHSPISA-N 2 0 299.374 1.271 10 30 CDEERP C=C(C)C[C@H](CO)[NH2+]C[C@H](O)CN(C)Cc1ccccc1 ZINC000905449032 626810683 /nfs/dbraw/zinc/81/06/83/626810683.db2.gz CMPIJTDUXBBRTN-SJORKVTESA-N 2 0 292.423 1.396 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001691044948 1158699542 /nfs/dbraw/zinc/69/95/42/1158699542.db2.gz MXXBIVZNOYLRMU-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001691087322 1158901902 /nfs/dbraw/zinc/90/19/02/1158901902.db2.gz MWNAUJMLXNZJGA-JONQDZQNSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001691128653 1158923784 /nfs/dbraw/zinc/92/37/84/1158923784.db2.gz PWIUQKUZUUEWAP-OKILXGFUSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266896391 1158967706 /nfs/dbraw/zinc/96/77/06/1158967706.db2.gz AMHCLFTVWLTXQG-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000852863062 695311998 /nfs/dbraw/zinc/31/19/98/695311998.db2.gz JXAIZGCILMLIFY-OAHLLOKOSA-N 2 0 291.439 1.226 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)NCCC[NH+]1CCCCCC1 ZINC000852854204 695346723 /nfs/dbraw/zinc/34/67/23/695346723.db2.gz FDPBVZPJVFLJLI-UHFFFAOYSA-N 2 0 291.439 1.372 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000876883137 695362740 /nfs/dbraw/zinc/36/27/40/695362740.db2.gz ACVFOXSKCBRBPX-WOPDTQHZSA-N 2 0 271.792 1.151 10 30 CDEERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000848676198 695520650 /nfs/dbraw/zinc/52/06/50/695520650.db2.gz KLXHKJKZEASCIM-VNQPRFMTSA-N 2 0 273.380 1.521 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000876922469 695587017 /nfs/dbraw/zinc/58/70/17/695587017.db2.gz AKWZHJWPERFNMX-QWHCGFSZSA-N 2 0 299.846 1.693 10 30 CDEERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852868742 695774060 /nfs/dbraw/zinc/77/40/60/695774060.db2.gz LYIOLJGLCHERJW-MRXNPFEDSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001266619795 1158700384 /nfs/dbraw/zinc/70/03/84/1158700384.db2.gz AXIDLCUWIOIXSM-KKUMJFAQSA-N 2 0 281.444 1.920 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001691230265 1158968269 /nfs/dbraw/zinc/96/82/69/1158968269.db2.gz YFOQNWZNKCKKHH-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001270136932 1160093998 /nfs/dbraw/zinc/09/39/98/1160093998.db2.gz SGTVOSJZRYYBOU-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000876876866 1165932005 /nfs/dbraw/zinc/93/20/05/1165932005.db2.gz WFVRNNLSHJRUTJ-WCQYABFASA-N 2 0 287.835 1.645 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000876953096 1165947290 /nfs/dbraw/zinc/94/72/90/1165947290.db2.gz IVIBUIXQPBRLOR-LBPRGKRZSA-N 2 0 287.835 1.789 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001630911658 1166242520 /nfs/dbraw/zinc/24/25/20/1166242520.db2.gz QJDPHUAXEGREDC-HOCLYGCPSA-N 2 0 291.439 1.580 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001566893491 1168039912 /nfs/dbraw/zinc/03/99/12/1168039912.db2.gz IWSDPBFORGSZOU-HOCLYGCPSA-N 2 0 291.439 1.342 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001567153280 1168599224 /nfs/dbraw/zinc/59/92/24/1168599224.db2.gz LCHNGWQASBZFTP-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001567494751 1168808615 /nfs/dbraw/zinc/80/86/15/1168808615.db2.gz MYGXWAYYTGZHQT-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001567663052 1168907005 /nfs/dbraw/zinc/90/70/05/1168907005.db2.gz MCTOHYSJDLWBOD-OAHLLOKOSA-N 2 0 273.380 1.018 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001567711438 1168930811 /nfs/dbraw/zinc/93/08/11/1168930811.db2.gz BIGCJCJRXWXVCY-OAHLLOKOSA-N 2 0 291.439 1.487 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001567982869 1169107664 /nfs/dbraw/zinc/10/76/64/1169107664.db2.gz QGAFYURCNLSQSV-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001568651895 1169415729 /nfs/dbraw/zinc/41/57/29/1169415729.db2.gz ZWMHEHYGTIUUCP-LBPRGKRZSA-N 2 0 286.379 1.927 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001569039191 1169608326 /nfs/dbraw/zinc/60/83/26/1169608326.db2.gz ZUTXLJDPWPIUSO-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001569914639 1170037481 /nfs/dbraw/zinc/03/74/81/1170037481.db2.gz IERUXVKCECUSJK-CABCVRRESA-N 2 0 277.412 1.025 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001570398254 1170152321 /nfs/dbraw/zinc/15/23/21/1170152321.db2.gz ZAHCKIRPZKXAKS-HUUCEWRRSA-N 2 0 295.471 1.975 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001570719703 1170253566 /nfs/dbraw/zinc/25/35/66/1170253566.db2.gz CTQXJTJJYOMCIF-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001571143763 1170340580 /nfs/dbraw/zinc/34/05/80/1170340580.db2.gz KWUCAHAPEXLXJY-HDJSIYSDSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC001650413570 1171041407 /nfs/dbraw/zinc/04/14/07/1171041407.db2.gz XKJLPNNGGJPYSK-GVXVVHGQSA-N 2 0 271.792 1.186 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001656759434 1171872624 /nfs/dbraw/zinc/87/26/24/1171872624.db2.gz CLTXOCNAZYLONJ-OWCLPIDISA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001666977853 1173216269 /nfs/dbraw/zinc/21/62/69/1173216269.db2.gz XBVCPDUNQIMIHD-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001676766471 1174268403 /nfs/dbraw/zinc/26/84/03/1174268403.db2.gz DWLDTSBVFNCBPM-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001686305752 1174706751 /nfs/dbraw/zinc/70/67/51/1174706751.db2.gz MNYQSEMLNIXJHJ-UHFFFAOYSA-N 2 0 291.439 1.581 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001690755491 1175565668 /nfs/dbraw/zinc/56/56/68/1175565668.db2.gz HKPPJHPXGNYTLO-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001698841929 1175959547 /nfs/dbraw/zinc/95/95/47/1175959547.db2.gz XJYGMPROJKYROE-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001699011915 1176039819 /nfs/dbraw/zinc/03/98/19/1176039819.db2.gz ARVXFFVFTIPEAY-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699207416 1176140181 /nfs/dbraw/zinc/14/01/81/1176140181.db2.gz KONYQDHFCVOSOV-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699310481 1176211674 /nfs/dbraw/zinc/21/16/74/1176211674.db2.gz YKQHDIKAHBURNC-FYCOFBDGSA-N 2 0 295.402 1.094 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001699548940 1176470587 /nfs/dbraw/zinc/47/05/87/1176470587.db2.gz OAPURSZXVZJUAO-HNNXBMFYSA-N 2 0 265.401 1.096 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001699724539 1176590357 /nfs/dbraw/zinc/59/03/57/1176590357.db2.gz MQFWZFLNWFZKGH-UONOGXRCSA-N 2 0 279.428 1.435 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001699827637 1176646133 /nfs/dbraw/zinc/64/61/33/1176646133.db2.gz QVCXKXIAFYWPEL-GDBMZVCRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001699864777 1176660692 /nfs/dbraw/zinc/66/06/92/1176660692.db2.gz DGXFDFUBZAGFNN-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001699869936 1176663465 /nfs/dbraw/zinc/66/34/65/1176663465.db2.gz WAZHOJLJANDBAP-RDJZCZTQSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001700180914 1176784987 /nfs/dbraw/zinc/78/49/87/1176784987.db2.gz LIDCTQRCCJIGER-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001700281995 1176831145 /nfs/dbraw/zinc/83/11/45/1176831145.db2.gz LNNUXYLCDUMECM-OAHLLOKOSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001700477333 1176964863 /nfs/dbraw/zinc/96/48/63/1176964863.db2.gz QNUZWOQGTIRMQL-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001700477330 1176965738 /nfs/dbraw/zinc/96/57/38/1176965738.db2.gz QNUZWOQGTIRMQL-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001701062559 1177262208 /nfs/dbraw/zinc/26/22/08/1177262208.db2.gz FWCFIGQGGUZVMZ-GJZGRUSLSA-N 2 0 291.439 1.794 10 30 CDEERP C#CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001707417042 1178033328 /nfs/dbraw/zinc/03/33/28/1178033328.db2.gz DGONNJIUTVAZQO-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001713121668 1178379391 /nfs/dbraw/zinc/37/93/91/1178379391.db2.gz MIWWWUGXOKUSCE-GOEBONIOSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001713347442 1178512561 /nfs/dbraw/zinc/51/25/61/1178512561.db2.gz ZJONHMJWKJBXLK-OAHLLOKOSA-N 2 0 289.423 1.076 10 30 CDEERP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713381520 1178529350 /nfs/dbraw/zinc/52/93/50/1178529350.db2.gz JLGHCUUZDBQQKY-JKSUJKDBSA-N 2 0 291.439 1.513 10 30 CDEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713397095 1178534584 /nfs/dbraw/zinc/53/45/84/1178534584.db2.gz JSZPTIQCWFWMLG-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001713644113 1178693845 /nfs/dbraw/zinc/69/38/45/1178693845.db2.gz WPNFUIDZKPCILW-KBPBESRZSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)CCC)CC1 ZINC001713785718 1178751475 /nfs/dbraw/zinc/75/14/75/1178751475.db2.gz MUSVOBXYFGUJAO-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001714409458 1179127538 /nfs/dbraw/zinc/12/75/38/1179127538.db2.gz KIQMSJFYYDSCDL-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001714475522 1179160125 /nfs/dbraw/zinc/16/01/25/1179160125.db2.gz POGXFGNDFHYNRH-KGLIPLIRSA-N 2 0 267.417 1.080 10 30 CDEERP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001714474334 1179160564 /nfs/dbraw/zinc/16/05/64/1179160564.db2.gz JCQYMHLEPXFOEL-OAHLLOKOSA-N 2 0 297.443 1.111 10 30 CDEERP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001714648825 1179295485 /nfs/dbraw/zinc/29/54/85/1179295485.db2.gz ORYKWNRNVQRRED-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001714673809 1179314800 /nfs/dbraw/zinc/31/48/00/1179314800.db2.gz DNEBGFHZFRAOTP-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001714797563 1179402344 /nfs/dbraw/zinc/40/23/44/1179402344.db2.gz LRXXZRILRZATPW-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715076551 1179541355 /nfs/dbraw/zinc/54/13/55/1179541355.db2.gz SZUIVDVIUFTWLS-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001715370002 1179646196 /nfs/dbraw/zinc/64/61/96/1179646196.db2.gz PHWTYENLJJKEPP-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001716000570 1179974921 /nfs/dbraw/zinc/97/49/21/1179974921.db2.gz JVOZJHSWACNXDG-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716042558 1180016643 /nfs/dbraw/zinc/01/66/43/1180016643.db2.gz QMZGFJHSKGRYSV-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001716142053 1180069436 /nfs/dbraw/zinc/06/94/36/1180069436.db2.gz MTPBZROXUGAQEJ-HZSPNIEDSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716409819 1180192304 /nfs/dbraw/zinc/19/23/04/1180192304.db2.gz HMTUUSJJHBLGTG-RDBSUJKOSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001716780837 1180412521 /nfs/dbraw/zinc/41/25/21/1180412521.db2.gz ZLJVWFDBXHNZFH-HNNXBMFYSA-N 2 0 291.439 1.629 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001716824490 1180425790 /nfs/dbraw/zinc/42/57/90/1180425790.db2.gz DOZXYOCZNDUPIR-HNNXBMFYSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001716983961 1180491390 /nfs/dbraw/zinc/49/13/90/1180491390.db2.gz AGPSDTVBVLYLMH-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001717110166 1180533134 /nfs/dbraw/zinc/53/31/34/1180533134.db2.gz BXGFPNAYSKBTMZ-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717479922 1180697367 /nfs/dbraw/zinc/69/73/67/1180697367.db2.gz VEIBCVNWVIRMPZ-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001723302178 1181535363 /nfs/dbraw/zinc/53/53/63/1181535363.db2.gz RMUYUTWRMQIEKG-HUUCEWRRSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001724962051 1181809454 /nfs/dbraw/zinc/80/94/54/1181809454.db2.gz QVKCEMXNEYBEKZ-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725148159 1181881964 /nfs/dbraw/zinc/88/19/64/1181881964.db2.gz QCKAYSRIHQDFHC-OAHLLOKOSA-N 2 0 295.471 1.979 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C ZINC001725759579 1182124845 /nfs/dbraw/zinc/12/48/45/1182124845.db2.gz WALGGNAQPMOGQK-AWEZNQCLSA-N 2 0 281.444 1.472 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001732562890 1183011893 /nfs/dbraw/zinc/01/18/93/1183011893.db2.gz HFQVFDKGEZXDIG-ARFHVFGLSA-N 2 0 293.455 1.470 10 30 CDEERP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001732582512 1183027617 /nfs/dbraw/zinc/02/76/17/1183027617.db2.gz PLCMHGOPRZRXIO-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001733261154 1183374680 /nfs/dbraw/zinc/37/46/80/1183374680.db2.gz RYYFRFODAWMVQP-UHFFFAOYSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733533315 1183458660 /nfs/dbraw/zinc/45/86/60/1183458660.db2.gz KBQYKUHVHJDQKI-HOTGVXAUSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001733605963 1183477196 /nfs/dbraw/zinc/47/71/96/1183477196.db2.gz GICPVGBHEMGJSG-ZIAGYGMSSA-N 2 0 265.401 1.189 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001733675409 1183494488 /nfs/dbraw/zinc/49/44/88/1183494488.db2.gz BEANLEBGAYNVAC-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001733759956 1183521984 /nfs/dbraw/zinc/52/19/84/1183521984.db2.gz IPGTXOWGJHXTOP-LSDHHAIUSA-N 2 0 299.434 1.823 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001733853746 1183551624 /nfs/dbraw/zinc/55/16/24/1183551624.db2.gz OEHXUROZZQQINO-JKSUJKDBSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001733976124 1183596237 /nfs/dbraw/zinc/59/62/37/1183596237.db2.gz BTJCPRJUAOHZLC-KGLIPLIRSA-N 2 0 293.455 1.755 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001734451847 1183781832 /nfs/dbraw/zinc/78/18/32/1183781832.db2.gz ZFSRTJFRIWJWBE-HRCADAONSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001734476619 1183794268 /nfs/dbraw/zinc/79/42/68/1183794268.db2.gz GEMYGEGPULTPJD-GOEBONIOSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC001734498978 1183800763 /nfs/dbraw/zinc/80/07/63/1183800763.db2.gz AGHHBVKGJTXLOL-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001734559573 1183826718 /nfs/dbraw/zinc/82/67/18/1183826718.db2.gz CMEBJEZEGFEUFT-MCIONIFRSA-N 2 0 279.428 1.080 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1CCC ZINC000876798482 724406055 /nfs/dbraw/zinc/40/60/55/724406055.db2.gz ZUKCLDRJYLWYLP-GHMZBOCLSA-N 2 0 259.781 1.057 10 30 CDEERP [NH3+]CCN(CCc1ccccc1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852877061 724414742 /nfs/dbraw/zinc/41/47/42/724414742.db2.gz ATAINKMFSYPLLZ-UHFFFAOYSA-N 2 0 299.418 1.019 10 30 CDEERP CC#CC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000801161809 723716690 /nfs/dbraw/zinc/71/66/90/723716690.db2.gz HLMFBEFFFLRFRW-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000262014052 723712139 /nfs/dbraw/zinc/71/21/39/723712139.db2.gz XGDCIVDTCOFLHG-UMSGYPCISA-N 2 0 252.406 1.289 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000876763459 723814755 /nfs/dbraw/zinc/81/47/55/723814755.db2.gz OGRWMEQTYRUNHA-STQMWFEESA-N 2 0 287.835 1.550 10 30 CDEERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C#CC1CC[NH2+]CC1 ZINC000852796605 723855958 /nfs/dbraw/zinc/85/59/58/723855958.db2.gz GTOMJBYSBCWINQ-UHFFFAOYSA-N 2 0 297.402 1.428 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000876956174 724014178 /nfs/dbraw/zinc/01/41/78/724014178.db2.gz FRXXAPAACHQDQM-KGLIPLIRSA-N 2 0 299.846 1.695 10 30 CDEERP C[NH+]=C(NC[C@@H]1CCOC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000261614494 724125035 /nfs/dbraw/zinc/12/50/35/724125035.db2.gz BCIZFLAMYNVSNI-LSDHHAIUSA-N 2 0 294.443 1.159 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1C[C@@H]1C ZINC000083898985 724210459 /nfs/dbraw/zinc/21/04/59/724210459.db2.gz BQRWSLLJGYKALJ-SGMGOOAPSA-N 2 0 264.417 1.434 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877249308 724461739 /nfs/dbraw/zinc/46/17/39/724461739.db2.gz ITCLSNBMTJPUQP-SDDRHHMPSA-N 2 0 271.792 1.009 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)CC1 ZINC000824083748 724762330 /nfs/dbraw/zinc/76/23/30/724762330.db2.gz BXNPXDCKOLUWFN-GJZGRUSLSA-N 2 0 291.439 1.177 10 30 CDEERP C=CCCn1cc(C[N@@H+](C)C2CCC([NH3+])CC2)nn1 ZINC000848599488 723788460 /nfs/dbraw/zinc/78/84/60/723788460.db2.gz KLQOKRFGDUMGOG-UHFFFAOYSA-N 2 0 263.389 1.556 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000876956907 724171346 /nfs/dbraw/zinc/17/13/46/724171346.db2.gz RJMZDXHJHRHHTP-RWMBFGLXSA-N 2 0 285.819 1.589 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000876716540 725185397 /nfs/dbraw/zinc/18/53/97/725185397.db2.gz HGYUKHWAIZNUPI-LBPRGKRZSA-N 2 0 273.808 1.399 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000876730774 725205833 /nfs/dbraw/zinc/20/58/33/725205833.db2.gz AFFZWVKCLBZNIP-CYBMUJFWSA-N 2 0 287.835 1.789 10 30 CDEERP CCC[NH+]1CCC(CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000104177518 725393567 /nfs/dbraw/zinc/39/35/67/725393567.db2.gz FSQIVHUGZACSDC-UHFFFAOYSA-N 2 0 254.422 1.811 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000876533305 725418014 /nfs/dbraw/zinc/41/80/14/725418014.db2.gz HUVWLZMVCHZBPF-AXFHLTTASA-N 2 0 259.781 1.042 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CCC[NH2+]1 ZINC000852879586 725419883 /nfs/dbraw/zinc/41/98/83/725419883.db2.gz FROZUGLQCOWOOB-AEFFLSMTSA-N 2 0 299.418 1.688 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872277046 725507322 /nfs/dbraw/zinc/50/73/22/725507322.db2.gz OBXVASQKKCGDER-MNOVXSKESA-N 2 0 273.808 1.351 10 30 CDEERP C#CCCCCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000878230397 725598482 /nfs/dbraw/zinc/59/84/82/725598482.db2.gz KMHBVNTXKOXAQP-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C[N@H+](CCc1cccc(C#N)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923417399 725997182 /nfs/dbraw/zinc/99/71/82/725997182.db2.gz UHCLRFPCFMCQEA-MRXNPFEDSA-N 2 0 285.391 1.411 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001565878101 1168064723 /nfs/dbraw/zinc/06/47/23/1168064723.db2.gz KZUUFHMSQJCZFN-BZUAXINKSA-N 2 0 293.455 1.777 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001565977924 1168207229 /nfs/dbraw/zinc/20/72/29/1168207229.db2.gz PATSRFWJXAJPMN-OAGGEKHMSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001566613606 1168355297 /nfs/dbraw/zinc/35/52/97/1168355297.db2.gz KECZNLIDYVELTF-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001567155123 1168600635 /nfs/dbraw/zinc/60/06/35/1168600635.db2.gz MEYBAJHJAXAUEM-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567201756 1168615801 /nfs/dbraw/zinc/61/58/01/1168615801.db2.gz HNOXPXCDVGVPMV-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001282737378 894750137 /nfs/dbraw/zinc/75/01/37/894750137.db2.gz AMSZTTXLXGPKPS-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001266483280 895033460 /nfs/dbraw/zinc/03/34/60/895033460.db2.gz SFEUKMBJPJZZSL-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001266560751 895362161 /nfs/dbraw/zinc/36/21/61/895362161.db2.gz VKGYXPCLAYDQFP-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001266683937 895822903 /nfs/dbraw/zinc/82/29/03/895822903.db2.gz YXJNXSIPIZUUTG-ZNMIVQPWSA-N 2 0 277.412 1.119 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001266827263 896136667 /nfs/dbraw/zinc/13/66/67/896136667.db2.gz PUZRIPXFXVZRGL-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001267317201 897575551 /nfs/dbraw/zinc/57/55/51/897575551.db2.gz RDXOWHSEAIJWRQ-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001267398088 897861974 /nfs/dbraw/zinc/86/19/74/897861974.db2.gz YQIWQSBGKKAGIC-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001267473719 898097174 /nfs/dbraw/zinc/09/71/74/898097174.db2.gz NRATXCLDTCHREX-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267562575 898375691 /nfs/dbraw/zinc/37/56/91/898375691.db2.gz XIFUUUCBZKIIKW-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001480983165 898427357 /nfs/dbraw/zinc/42/73/57/898427357.db2.gz RIUUTDOXUVLIIO-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267809509 899784982 /nfs/dbraw/zinc/78/49/82/899784982.db2.gz MTHGRAQARUPDPJ-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001267817768 899806207 /nfs/dbraw/zinc/80/62/07/899806207.db2.gz RTXBUIOLNZMXNM-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CCCC)CC1 ZINC001267831364 899832992 /nfs/dbraw/zinc/83/29/92/899832992.db2.gz QBJRBIXQODKTAP-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001567688372 1168918538 /nfs/dbraw/zinc/91/85/38/1168918538.db2.gz IDGSFSHODYUYGR-CVEARBPZSA-N 2 0 293.455 1.663 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001481340045 900453178 /nfs/dbraw/zinc/45/31/78/900453178.db2.gz OFVCQBBXBVIZDB-HIFRSBDPSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001481349868 900475619 /nfs/dbraw/zinc/47/56/19/900475619.db2.gz CZJGFYYJBMEBDM-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001481452207 900712730 /nfs/dbraw/zinc/71/27/30/900712730.db2.gz KOGHPAVOTDUBGY-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481453900 900722725 /nfs/dbraw/zinc/72/27/25/900722725.db2.gz PJVOZTLIUSRQID-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001268293129 901771997 /nfs/dbraw/zinc/77/19/97/901771997.db2.gz YKMGGBAZTYJTPR-KGLIPLIRSA-N 2 0 265.401 1.143 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001481799828 902144848 /nfs/dbraw/zinc/14/48/48/902144848.db2.gz YUXKWKJMOSIDIW-RYUDHWBXSA-N 2 0 273.808 1.318 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001481982798 902432066 /nfs/dbraw/zinc/43/20/66/902432066.db2.gz OBKVWEDZWBFMGW-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001268692231 902973522 /nfs/dbraw/zinc/97/35/22/902973522.db2.gz CNBMJKWHKLCOOF-AWEZNQCLSA-N 2 0 297.443 1.015 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001269296383 903670739 /nfs/dbraw/zinc/67/07/39/903670739.db2.gz MXLHRKDVWBCWHP-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001269350426 903725919 /nfs/dbraw/zinc/72/59/19/903725919.db2.gz IHWVAFIOLGOSOI-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001269792368 904117258 /nfs/dbraw/zinc/11/72/58/904117258.db2.gz STPWJZPRKGACJN-HNNXBMFYSA-N 2 0 291.439 1.487 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001482434028 905396544 /nfs/dbraw/zinc/39/65/44/905396544.db2.gz NDMZEXIMIOIGQK-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)CCC[NH+](C)C)C(C)C ZINC001271885339 906934181 /nfs/dbraw/zinc/93/41/81/906934181.db2.gz NUADWQLWUACWGO-AWEZNQCLSA-N 2 0 267.417 1.082 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482947392 908531866 /nfs/dbraw/zinc/53/18/66/908531866.db2.gz OHVJIQSNRJAPJA-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483227810 910292234 /nfs/dbraw/zinc/29/22/34/910292234.db2.gz UZQYMTWCIWYONK-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001483812290 915096312 /nfs/dbraw/zinc/09/63/12/915096312.db2.gz MXIDVXHHLNOZJW-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001483881296 915167945 /nfs/dbraw/zinc/16/79/45/915167945.db2.gz IJRSFSQDJRPDAU-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001484382524 915699796 /nfs/dbraw/zinc/69/97/96/915699796.db2.gz IXQOULYIYFFONF-CABCVRRESA-N 2 0 281.444 1.588 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001484526085 915855703 /nfs/dbraw/zinc/85/57/03/915855703.db2.gz WEAZUWJCTHKCLD-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001484637874 915989161 /nfs/dbraw/zinc/98/91/61/915989161.db2.gz UVIXZIQPUQMOOS-UHFFFAOYSA-N 2 0 279.428 1.675 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001484996828 916361782 /nfs/dbraw/zinc/36/17/82/916361782.db2.gz TZPIKCBXQJSOJB-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]C(C)C)CC1 ZINC001485230244 916683300 /nfs/dbraw/zinc/68/33/00/916683300.db2.gz RMXHJBYHMLLKIK-UONOGXRCSA-N 2 0 279.428 1.223 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]C(C)C)CC1 ZINC001485230245 916683607 /nfs/dbraw/zinc/68/36/07/916683607.db2.gz RMXHJBYHMLLKIK-ZIAGYGMSSA-N 2 0 279.428 1.223 10 30 CDEERP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001485668838 917160689 /nfs/dbraw/zinc/16/06/89/917160689.db2.gz HPICGGAHCZYTTR-CALCHBBNSA-N 2 0 291.439 1.132 10 30 CDEERP CC#CC[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001486159128 920762380 /nfs/dbraw/zinc/76/23/80/920762380.db2.gz CMPVHHZEARSUGL-RDJZCZTQSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001568335674 1169252624 /nfs/dbraw/zinc/25/26/24/1169252624.db2.gz XQQUBOFVGADSEC-HNNXBMFYSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001491068806 936850499 /nfs/dbraw/zinc/85/04/99/936850499.db2.gz BGMXUQRXWRJOID-KFWWJZLASA-N 2 0 291.439 1.674 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001488683888 926647214 /nfs/dbraw/zinc/64/72/14/926647214.db2.gz PBUDIORITCOOPO-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001488899137 926739251 /nfs/dbraw/zinc/73/92/51/926739251.db2.gz WKNGUMLEWJRTDK-ZNMIVQPWSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001568458798 1169297703 /nfs/dbraw/zinc/29/77/03/1169297703.db2.gz DEVTZRUCBANLIM-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001490560005 927230042 /nfs/dbraw/zinc/23/00/42/927230042.db2.gz ZZDFPYAIUPMYSO-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001568516139 1169340619 /nfs/dbraw/zinc/34/06/19/1169340619.db2.gz UCBODFGRVDBQLA-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001274345762 931492913 /nfs/dbraw/zinc/49/29/13/931492913.db2.gz YSOOODJOTQTTKG-UHFFFAOYSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001274761048 931569489 /nfs/dbraw/zinc/56/94/89/931569489.db2.gz YDQBVWCUGHMUQX-HIFRSBDPSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001275583760 931894121 /nfs/dbraw/zinc/89/41/21/931894121.db2.gz YPKKSKVBHYAPJN-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001275729069 931983098 /nfs/dbraw/zinc/98/30/98/931983098.db2.gz JRHXMOQMQCMOLI-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001275789982 932036113 /nfs/dbraw/zinc/03/61/13/932036113.db2.gz FJXIKNFHAHGTAP-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001276327240 935012568 /nfs/dbraw/zinc/01/25/68/935012568.db2.gz SMODKZRQQVRUGE-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001276432356 939717415 /nfs/dbraw/zinc/71/74/15/939717415.db2.gz MBJVAVALRXJCIY-KGLIPLIRSA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001276751259 940973899 /nfs/dbraw/zinc/97/38/99/940973899.db2.gz OLCXBAYXSYSQTE-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001276983924 941774735 /nfs/dbraw/zinc/77/47/35/941774735.db2.gz XAZFKLCXNXKIAT-YHUYYLMFSA-N 2 0 293.455 1.777 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001281745346 942616609 /nfs/dbraw/zinc/61/66/09/942616609.db2.gz VSPXKIVQLHFWCZ-QWHCGFSZSA-N 2 0 255.406 1.243 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001282207911 942678685 /nfs/dbraw/zinc/67/86/85/942678685.db2.gz RDJDZBXHYWWAFU-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001282400405 942706546 /nfs/dbraw/zinc/70/65/46/942706546.db2.gz YHPTXGZJAQRTII-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001282833233 942756275 /nfs/dbraw/zinc/75/62/75/942756275.db2.gz KDIIVYAQTYSLSD-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001316624209 942825826 /nfs/dbraw/zinc/82/58/26/942825826.db2.gz MVMKRLVKAZWTQJ-IYBDPMFKSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[N@@H+](C)CCN(C(=O)Cn1ccnc1C)C(C)C ZINC001284557345 943207799 /nfs/dbraw/zinc/20/77/99/943207799.db2.gz CSMPDOCORMIWKE-UHFFFAOYSA-N 2 0 292.427 1.936 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001277866101 943898907 /nfs/dbraw/zinc/89/89/07/943898907.db2.gz OZIUXTIOUDEEQE-ZDUSSCGKSA-N 2 0 265.401 1.237 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001277893620 943952560 /nfs/dbraw/zinc/95/25/60/943952560.db2.gz NTZFAAOTMGNASN-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001264008240 944063440 /nfs/dbraw/zinc/06/34/40/944063440.db2.gz HVJUOPBSQWRVNF-KFWWJZLASA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C(C)C ZINC001264566807 944149368 /nfs/dbraw/zinc/14/93/68/944149368.db2.gz IOGQCYSTHKLABW-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001265093279 944227976 /nfs/dbraw/zinc/22/79/76/944227976.db2.gz YIERNQDVTVGJLH-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001265147815 944246623 /nfs/dbraw/zinc/24/66/23/944246623.db2.gz LHPFKAXDCKIZOI-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001265319833 944342415 /nfs/dbraw/zinc/34/24/15/944342415.db2.gz SJAKQKFHKZRVRG-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001265403249 944374910 /nfs/dbraw/zinc/37/49/10/944374910.db2.gz BPIHGHGQGPDTKL-OWCLPIDISA-N 2 0 291.439 1.722 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001265489657 944407599 /nfs/dbraw/zinc/40/75/99/944407599.db2.gz NWAVWOCOYAVYFH-HDJSIYSDSA-N 2 0 277.412 1.121 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001265559928 944428718 /nfs/dbraw/zinc/42/87/18/944428718.db2.gz AFEAAVZDUHFEQY-QXSJWSMHSA-N 2 0 291.439 1.816 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001265565572 944432035 /nfs/dbraw/zinc/43/20/35/944432035.db2.gz VRJVGKFDPNWSNV-BETUJISGSA-N 2 0 253.390 1.141 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001265595098 944439923 /nfs/dbraw/zinc/43/99/23/944439923.db2.gz SCRVYWGIOLEHON-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001265782420 944507332 /nfs/dbraw/zinc/50/73/32/944507332.db2.gz XQWCSCHICCHNJN-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001265832974 944532096 /nfs/dbraw/zinc/53/20/96/944532096.db2.gz UODQMCFKNPEUGQ-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001265869752 944550143 /nfs/dbraw/zinc/55/01/43/944550143.db2.gz BCGORFSIYQWUIP-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001278024473 944611862 /nfs/dbraw/zinc/61/18/62/944611862.db2.gz FJNMDZROWPKCLW-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001266011438 944627332 /nfs/dbraw/zinc/62/73/32/944627332.db2.gz WDVBHJLUHIURJL-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001261552309 946171274 /nfs/dbraw/zinc/17/12/74/946171274.db2.gz OFXQAIJMETWLRD-AWEZNQCLSA-N 2 0 292.427 1.390 10 30 CDEERP CC#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001479774927 971411281 /nfs/dbraw/zinc/41/12/81/971411281.db2.gz KCTYCQMOXOUZQV-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001569036467 1169606876 /nfs/dbraw/zinc/60/68/76/1169606876.db2.gz NCTFEVUMUCXCSQ-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001480221507 971635212 /nfs/dbraw/zinc/63/52/12/971635212.db2.gz XXFTXBGNAQLDEM-OKILXGFUSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001569139441 1169684194 /nfs/dbraw/zinc/68/41/94/1169684194.db2.gz NUDDZOFHMVCHLJ-STQMWFEESA-N 2 0 255.406 1.339 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001316642786 953727457 /nfs/dbraw/zinc/72/74/57/953727457.db2.gz WALQXLOCVSAPBT-KLHDSHLOSA-N 2 0 291.439 1.367 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001493130594 971957690 /nfs/dbraw/zinc/95/76/90/971957690.db2.gz WZUKMHIUHGRDCT-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001325458218 953912888 /nfs/dbraw/zinc/91/28/88/953912888.db2.gz VHRZOBBASWCVET-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001325920222 954142534 /nfs/dbraw/zinc/14/25/34/954142534.db2.gz XQCRTGYBUFVOEB-HZPDHXFCSA-N 2 0 291.439 1.415 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001569172828 1169702169 /nfs/dbraw/zinc/70/21/69/1169702169.db2.gz ACLBSOISXBIEPF-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001316656691 954533166 /nfs/dbraw/zinc/53/31/66/954533166.db2.gz ZKUJIYRKXPTLTH-ARFHVFGLSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001491674423 955383977 /nfs/dbraw/zinc/38/39/77/955383977.db2.gz OKUJCWJRIZAJBF-HUUCEWRRSA-N 2 0 297.443 1.015 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001491772408 955415046 /nfs/dbraw/zinc/41/50/46/955415046.db2.gz FOQGHGDDZUHNHP-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491873215 955486922 /nfs/dbraw/zinc/48/69/22/955486922.db2.gz CPVZUCGINAFNPX-HUUCEWRRSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001493803300 972115461 /nfs/dbraw/zinc/11/54/61/972115461.db2.gz LDICMHGFOQWPJL-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001329164315 955728482 /nfs/dbraw/zinc/72/84/82/955728482.db2.gz CEYMEUDOCOQIGK-KGLIPLIRSA-N 2 0 293.455 1.777 10 30 CDEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001316773554 957006026 /nfs/dbraw/zinc/00/60/26/957006026.db2.gz WNQKVFXDXFZTKI-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001317157020 957311790 /nfs/dbraw/zinc/31/17/90/957311790.db2.gz CHDYJPASYLJLQB-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317166344 957317347 /nfs/dbraw/zinc/31/73/47/957317347.db2.gz XRGZOMHBOGZZKY-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317206052 957340819 /nfs/dbraw/zinc/34/08/19/957340819.db2.gz RANQLDRWCNGLAO-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001317305903 957414312 /nfs/dbraw/zinc/41/43/12/957414312.db2.gz PJZXJCGDISISGQ-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317350213 957433676 /nfs/dbraw/zinc/43/36/76/957433676.db2.gz KDCZSPDSMLRWIB-KGLIPLIRSA-N 2 0 277.412 1.121 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001317448113 957481238 /nfs/dbraw/zinc/48/12/38/957481238.db2.gz FJIOQDOOGBSFQN-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001317453906 957485449 /nfs/dbraw/zinc/48/54/49/957485449.db2.gz TZIPDGNIFPDFCW-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001317635819 957614146 /nfs/dbraw/zinc/61/41/46/957614146.db2.gz HDTKUHOUXKSFMJ-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001317869600 957703541 /nfs/dbraw/zinc/70/35/41/957703541.db2.gz DRWFJBFMYFVBMC-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC001494685238 972287324 /nfs/dbraw/zinc/28/73/24/972287324.db2.gz ISUFHZNUSSNEJG-GJZGRUSLSA-N 2 0 279.428 1.578 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001318525148 958155020 /nfs/dbraw/zinc/15/50/20/958155020.db2.gz URCAOLCUMRNDCC-LSDHHAIUSA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001318590458 958188010 /nfs/dbraw/zinc/18/80/10/958188010.db2.gz GEOWYLNXVVIAFS-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001319388802 958528634 /nfs/dbraw/zinc/52/86/34/958528634.db2.gz AMNBRYZAWQJRDR-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001319590312 958643556 /nfs/dbraw/zinc/64/35/56/958643556.db2.gz QRNSSLZHTMJQRP-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001319621583 958657730 /nfs/dbraw/zinc/65/77/30/958657730.db2.gz XNBDFTVWXTYJOZ-CQSZACIVSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001320752277 959370389 /nfs/dbraw/zinc/37/03/89/959370389.db2.gz JMQKHOMMXSFENF-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321065795 959567646 /nfs/dbraw/zinc/56/76/46/959567646.db2.gz WLKAULMWTBQWER-FOSCPCJNSA-N 2 0 277.412 1.166 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H](CC)[NH+](C)C ZINC001321248960 959679057 /nfs/dbraw/zinc/67/90/57/959679057.db2.gz FTKAYOMNLDUYPT-DGMVEKRQSA-N 2 0 273.808 1.341 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001321419332 959775037 /nfs/dbraw/zinc/77/50/37/959775037.db2.gz OVTLZHRWCWTMPA-LQYUOIDQSA-N 2 0 279.428 1.699 10 30 CDEERP C#CCNC(=O)CC[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001335452130 959810644 /nfs/dbraw/zinc/81/06/44/959810644.db2.gz OKBFIPOOQVQEKG-SJORKVTESA-N 2 0 299.418 1.061 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)CCc1c[nH]cn1 ZINC001321871387 959995483 /nfs/dbraw/zinc/99/54/83/959995483.db2.gz ZONMAWPKJDMSMN-LBPRGKRZSA-N 2 0 264.373 1.403 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001370269580 960036700 /nfs/dbraw/zinc/03/67/00/960036700.db2.gz YUZKMSKTCIOAQQ-CHWSQXEVSA-N 2 0 287.835 1.564 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001322192183 960125649 /nfs/dbraw/zinc/12/56/49/960125649.db2.gz FDOWGOKYUDUUMZ-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1CC ZINC001323165421 960491647 /nfs/dbraw/zinc/49/16/47/960491647.db2.gz ZPDPELUHCNVKOB-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC1(O)CC[NH+](CC2CC[NH+](CC)CC2)CC1 ZINC001560983945 961047661 /nfs/dbraw/zinc/04/76/61/961047661.db2.gz MHVAPXMSHIRVPB-UHFFFAOYSA-N 2 0 264.413 1.569 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001419913888 962234233 /nfs/dbraw/zinc/23/42/33/962234233.db2.gz YOFIDUZZGUEIHR-VXGBXAGGSA-N 2 0 273.808 1.175 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001420170933 962520792 /nfs/dbraw/zinc/52/07/92/962520792.db2.gz ZKUSFVCNGIZGDG-GFCCVEGCSA-N 2 0 275.824 1.564 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC001342456044 963743277 /nfs/dbraw/zinc/74/32/77/963743277.db2.gz WOLJMUMMVSERJF-SNVBAGLBSA-N 2 0 294.424 1.170 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001342477597 963748177 /nfs/dbraw/zinc/74/81/77/963748177.db2.gz YGSVMAMLUOWCFE-KXUCPTDWSA-N 2 0 279.306 1.018 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC001344411814 964301187 /nfs/dbraw/zinc/30/11/87/964301187.db2.gz XTPCTLMHTRXBGY-CVEARBPZSA-N 2 0 289.423 1.746 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC001344409973 964301708 /nfs/dbraw/zinc/30/17/08/964301708.db2.gz BFYHJLAVIQJBNY-OLZOCXBDSA-N 2 0 267.417 1.564 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH2+]C ZINC001344549304 964351006 /nfs/dbraw/zinc/35/10/06/964351006.db2.gz ZAYBRQRBMMIGHU-CHWSQXEVSA-N 2 0 253.390 1.271 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001346497086 965143790 /nfs/dbraw/zinc/14/37/90/965143790.db2.gz YTUPNWHDNGVBQC-KGLIPLIRSA-N 2 0 267.417 1.566 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001545988645 966622862 /nfs/dbraw/zinc/62/28/62/966622862.db2.gz OWCLWMGEVDHJNI-HNNXBMFYSA-N 2 0 281.444 1.588 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001448503993 967132922 /nfs/dbraw/zinc/13/29/22/967132922.db2.gz UGURUXJXHCZFJN-IHRRRGAJSA-N 2 0 299.846 1.708 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001569504380 1169904355 /nfs/dbraw/zinc/90/43/55/1169904355.db2.gz KIOKKSDUPKVLEH-CQSZACIVSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001569612294 1169936366 /nfs/dbraw/zinc/93/63/66/1169936366.db2.gz ADYPMLPOWRNCFI-HOCLYGCPSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(CC)CCC[NH+]1CCCC1 ZINC001466961907 970015497 /nfs/dbraw/zinc/01/54/97/970015497.db2.gz FQXAQHIDMOCSOF-UHFFFAOYSA-N 2 0 267.417 1.439 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC001467728273 970095402 /nfs/dbraw/zinc/09/54/02/970095402.db2.gz COGWPAOULZWOIV-AWEZNQCLSA-N 2 0 281.444 1.826 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCC1 ZINC001495918710 972701508 /nfs/dbraw/zinc/70/15/08/972701508.db2.gz KDICWCMEZRSGAX-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001497414301 973337140 /nfs/dbraw/zinc/33/71/40/973337140.db2.gz LBJGCFQDLVTTRO-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001373823529 973658721 /nfs/dbraw/zinc/65/87/21/973658721.db2.gz YDVXBMUROXIROC-STQMWFEESA-N 2 0 287.835 1.565 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001498401555 973891250 /nfs/dbraw/zinc/89/12/50/973891250.db2.gz ZRBLNJASDYBFGS-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374962621 974190829 /nfs/dbraw/zinc/19/08/29/974190829.db2.gz VLYMFLMWMRVIPB-NWDGAFQWSA-N 2 0 273.808 1.175 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001499922455 974336023 /nfs/dbraw/zinc/33/60/23/974336023.db2.gz DDGSHDGXWSLIIL-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001500376035 974429986 /nfs/dbraw/zinc/42/99/86/974429986.db2.gz DZYGJDCCZVFMKY-QGZVFWFLSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001501569379 974601538 /nfs/dbraw/zinc/60/15/38/974601538.db2.gz XJAFMORTFFITNG-QLFBSQMISA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001506530468 975174110 /nfs/dbraw/zinc/17/41/10/975174110.db2.gz MLDRCUTZTLKAJC-UHFFFAOYSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001508082794 975601851 /nfs/dbraw/zinc/60/18/51/975601851.db2.gz KYMJPXKCFFPXGU-AWEZNQCLSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001675263223 1174089722 /nfs/dbraw/zinc/08/97/22/1174089722.db2.gz NRBHYFMVCNJFNY-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001676222570 1174194383 /nfs/dbraw/zinc/19/43/83/1174194383.db2.gz UPGPBEIQKBKKKZ-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001569968495 1170050132 /nfs/dbraw/zinc/05/01/32/1170050132.db2.gz JXYIVHMQOKFBDS-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001570799827 1170282500 /nfs/dbraw/zinc/28/25/00/1170282500.db2.gz KJDUOZQWYRNDNB-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001570854390 1170302408 /nfs/dbraw/zinc/30/24/08/1170302408.db2.gz VYNXTLWGKGAJHV-UKRRQHHQSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001571002670 1170328958 /nfs/dbraw/zinc/32/89/58/1170328958.db2.gz SEXYWGVIEBLIIP-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001571351220 1170379653 /nfs/dbraw/zinc/37/96/53/1170379653.db2.gz LPDXXGQPCIPWHD-OAHLLOKOSA-N 2 0 295.471 1.718 10 30 CDEERP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1C ZINC001571523141 1170462528 /nfs/dbraw/zinc/46/25/28/1170462528.db2.gz ORTVQSWHYQTGNG-GJZGRUSLSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001657076470 1171923643 /nfs/dbraw/zinc/92/36/43/1171923643.db2.gz ZMAMFJNOPLUISL-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438041 342905851 /nfs/dbraw/zinc/90/58/51/342905851.db2.gz MIUAZXVGXQONOM-HUUCEWRRSA-N 2 0 294.443 1.778 10 30 CDEERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CCCCC#N)[C@H](C)C1 ZINC000594439642 342906687 /nfs/dbraw/zinc/90/66/87/342906687.db2.gz TZYJFZPZGKVFGJ-ILXRZTDVSA-N 2 0 294.443 1.586 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000594440949 342907529 /nfs/dbraw/zinc/90/75/29/342907529.db2.gz JSJQKKKWPMFPHQ-CQSZACIVSA-N 2 0 280.416 1.390 10 30 CDEERP C[NH+](C)C1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600738957 342246689 /nfs/dbraw/zinc/24/66/89/342246689.db2.gz KWVAVVGEYLROJD-JXQTWKCFSA-N 2 0 265.401 1.504 10 30 CDEERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CC2)CCO1 ZINC000599477884 344069018 /nfs/dbraw/zinc/06/90/18/344069018.db2.gz KOCCNLHHQPBOHC-HUUCEWRRSA-N 2 0 295.427 1.084 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001661193260 1172350951 /nfs/dbraw/zinc/35/09/51/1172350951.db2.gz UPRMAYMZTVQVPH-HZPDHXFCSA-N 2 0 291.439 1.224 10 30 CDEERP C[NH+]1CCC(CC[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352842692 374368662 /nfs/dbraw/zinc/36/86/62/374368662.db2.gz WSVVWJFWDGAWJN-UHFFFAOYSA-N 2 0 264.398 1.836 10 30 CDEERP CSC1(C[NH2+]Cc2nc(C#N)cs2)CC[NH+](C)CC1 ZINC000353216530 375169239 /nfs/dbraw/zinc/16/92/39/375169239.db2.gz XUFJAFOGPPRYFI-UHFFFAOYSA-N 2 0 296.465 1.932 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000662708572 413355134 /nfs/dbraw/zinc/35/51/34/413355134.db2.gz MYUKZGRUUMKJNV-ZBFHGGJFSA-N 2 0 277.412 1.381 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CCC[NH2+]1 ZINC000662754153 413430638 /nfs/dbraw/zinc/43/06/38/413430638.db2.gz FQBPSMRDGABJIY-DUVNUKRYSA-N 2 0 277.412 1.284 10 30 CDEERP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365700 171164211 /nfs/dbraw/zinc/16/42/11/171164211.db2.gz FRFVPEKBGCSEBL-UONOGXRCSA-N 2 0 267.417 1.224 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCC[NH2+]1 ZINC000662786245 413495116 /nfs/dbraw/zinc/49/51/16/413495116.db2.gz VKIWCOJJOJIPIU-YQQAZPJKSA-N 2 0 291.439 1.533 10 30 CDEERP C=CCOc1ccccc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414787972 263048279 /nfs/dbraw/zinc/04/82/79/263048279.db2.gz ZYHCMJGBNZMART-UHFFFAOYSA-N 2 0 289.423 1.636 10 30 CDEERP C=CC[C@]1(C(=O)NCC[N@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662679659 424298554 /nfs/dbraw/zinc/29/85/54/424298554.db2.gz ATIZIHDANCNQBD-GOEBONIOSA-N 2 0 279.428 1.675 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@H]21 ZINC001667695217 1173312605 /nfs/dbraw/zinc/31/26/05/1173312605.db2.gz VLICFXAGIUVJPF-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001669811995 1173612934 /nfs/dbraw/zinc/61/29/34/1173612934.db2.gz SQGBAMPJIXLXHM-AWEZNQCLSA-N 2 0 279.428 1.321 10 30 CDEERP CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262502067 330017974 /nfs/dbraw/zinc/01/79/74/330017974.db2.gz YPUBCVKIRPDYSB-SOUVJXGZSA-N 2 0 278.444 1.921 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001731616003 1159315983 /nfs/dbraw/zinc/31/59/83/1159315983.db2.gz KQGQQTWTJCGVFA-IHRRRGAJSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001698763426 1175923295 /nfs/dbraw/zinc/92/32/95/1175923295.db2.gz BPPYDMYKFUSPGG-ZDUSSCGKSA-N 2 0 267.417 1.246 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001698869892 1175971894 /nfs/dbraw/zinc/97/18/94/1175971894.db2.gz GFDSMWBPGSNLFY-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)C(=C)C[NH+](C)C)CC1 ZINC001628372800 1159493765 /nfs/dbraw/zinc/49/37/65/1159493765.db2.gz LVTFAZFTERHOHL-UHFFFAOYSA-N 2 0 265.401 1.261 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001677593814 1174377074 /nfs/dbraw/zinc/37/70/74/1174377074.db2.gz CRTCVYJAZYBMDY-UHFFFAOYSA-N 2 0 277.412 1.263 10 30 CDEERP C=C(C)[C@H](CO)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000677133455 482542420 /nfs/dbraw/zinc/54/24/20/482542420.db2.gz WRLIUABXQBKGJR-HNNXBMFYSA-N 2 0 252.402 1.731 10 30 CDEERP C=C(C)[C@H](CO)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000680432333 483618728 /nfs/dbraw/zinc/61/87/28/483618728.db2.gz ZTDQSLLEWZQVIH-INIZCTEOSA-N 2 0 295.471 1.273 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001484169680 1161256420 /nfs/dbraw/zinc/25/64/20/1161256420.db2.gz DCSWTRZLKFLXKD-INIZCTEOSA-N 2 0 288.395 1.194 10 30 CDEERP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001725244030 1181934258 /nfs/dbraw/zinc/93/42/58/1181934258.db2.gz WVNSHXMIELZLFP-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC(C)N[C@@H](C#N)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000062436820 519733774 /nfs/dbraw/zinc/73/37/74/519733774.db2.gz KDKZNOUKEXUNDA-OAHLLOKOSA-N 2 0 266.433 1.540 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CCC)C2)CC1 ZINC000939808918 613130034 /nfs/dbraw/zinc/13/00/34/613130034.db2.gz HFPQULABKPTJFO-GOEBONIOSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939754335 613351289 /nfs/dbraw/zinc/35/12/89/613351289.db2.gz MOSBJLHDDGWIKF-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP N#Cc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925714886 617827206 /nfs/dbraw/zinc/82/72/06/617827206.db2.gz YHVWKUNKHOAOTM-HUUCEWRRSA-N 2 0 255.365 1.960 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000900823405 623527817 /nfs/dbraw/zinc/52/78/17/623527817.db2.gz VAHQLROUDNVROH-ZIAGYGMSSA-N 2 0 267.417 1.293 10 30 CDEERP C=CCC[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)[C@@]1(C)CCCCO1 ZINC000902953776 625688845 /nfs/dbraw/zinc/68/88/45/625688845.db2.gz JYRRSHJXAWENEG-BBWFWOEESA-N 2 0 296.455 1.937 10 30 CDEERP C=CC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCS(=O)(=O)C1 ZINC000903885352 626133061 /nfs/dbraw/zinc/13/30/61/626133061.db2.gz FPALFFZZBPZYJR-JALIKCBVSA-N 2 0 298.452 1.192 10 30 CDEERP C=CCN1CC[C@@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000903915024 626134421 /nfs/dbraw/zinc/13/44/21/626134421.db2.gz XLUIKOOUTZBUCT-JALIKCBVSA-N 2 0 277.412 1.236 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000908435141 628198095 /nfs/dbraw/zinc/19/80/95/628198095.db2.gz DUYLLHDNYNKBCX-BETUJISGSA-N 2 0 253.390 1.045 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000908503846 628247237 /nfs/dbraw/zinc/24/72/37/628247237.db2.gz QGMZQOQOHNTAGO-ZDUSSCGKSA-N 2 0 279.428 1.437 10 30 CDEERP CCC[NH+]=C(NC[C@H]1CCC[N@@H+]1CCOC)NC(C)(C)C ZINC000912509345 630049741 /nfs/dbraw/zinc/04/97/41/630049741.db2.gz CVIJXGFCBSHSSB-CQSZACIVSA-N 2 0 298.475 1.841 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000913815906 630794495 /nfs/dbraw/zinc/79/44/95/630794495.db2.gz UIESULRFFYKNDU-ZIAGYGMSSA-N 2 0 265.401 1.189 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001670540240 1158634353 /nfs/dbraw/zinc/63/43/53/1158634353.db2.gz XQZWKWHLUIZQAS-INIZCTEOSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001671564891 1158670009 /nfs/dbraw/zinc/67/00/09/1158670009.db2.gz ZSSAAFPFMJKRFL-HOTGVXAUSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001691066771 1158876962 /nfs/dbraw/zinc/87/69/62/1158876962.db2.gz VAPILAXNCBYMAW-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001691083638 1158899413 /nfs/dbraw/zinc/89/94/13/1158899413.db2.gz YJVLYMYXDFDDFI-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001691170495 1158943090 /nfs/dbraw/zinc/94/30/90/1158943090.db2.gz CNNIBGWTANMZGN-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001691184525 1158948910 /nfs/dbraw/zinc/94/89/10/1158948910.db2.gz OTJJWWYZRQDPAI-KLHDSHLOSA-N 2 0 291.439 1.367 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCC(C)C)CC1 ZINC001691000638 1158524795 /nfs/dbraw/zinc/52/47/95/1158524795.db2.gz MZTQRYURRVOEOC-UHFFFAOYSA-N 2 0 293.455 1.426 10 30 CDEERP C#CC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001691636868 1161063019 /nfs/dbraw/zinc/06/30/19/1161063019.db2.gz OLOKBDYFJMWPJG-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001566859267 1168447277 /nfs/dbraw/zinc/44/72/77/1168447277.db2.gz UERBMSKULSECNU-OKILXGFUSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566895775 1168458937 /nfs/dbraw/zinc/45/89/37/1168458937.db2.gz OYWVTJUBQKCXCM-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001566949818 1168478648 /nfs/dbraw/zinc/47/86/48/1168478648.db2.gz BISMMSHDWBKZDG-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001570091917 1170075684 /nfs/dbraw/zinc/07/56/84/1170075684.db2.gz RGQIJYZQXRPEHS-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001570843630 1170297570 /nfs/dbraw/zinc/29/75/70/1170297570.db2.gz LWNIVPPAEPGIKV-ZFWWWQNUSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1CC ZINC001656749146 1171870226 /nfs/dbraw/zinc/87/02/26/1171870226.db2.gz NPKOADRGJNZEJA-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001662533763 1172557506 /nfs/dbraw/zinc/55/75/06/1172557506.db2.gz YXPJWRMFHVEBPH-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001583315565 1172753734 /nfs/dbraw/zinc/75/37/34/1172753734.db2.gz KNLPOQAQZWKESG-TZMCWYRMSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001663762962 1172757228 /nfs/dbraw/zinc/75/72/28/1172757228.db2.gz HQYDARAIMVDFJF-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001668898905 1173477280 /nfs/dbraw/zinc/47/72/80/1173477280.db2.gz DKQHDLYJNHANRK-SNAWJCMRSA-N 2 0 284.363 1.704 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001673961353 1173902061 /nfs/dbraw/zinc/90/20/61/1173902061.db2.gz LNNUXYLCDUMECM-HNNXBMFYSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001677253711 1174341501 /nfs/dbraw/zinc/34/15/01/1174341501.db2.gz ZSBZGNFLYCIZRD-CABCVRRESA-N 2 0 291.439 1.082 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001690340789 1175444159 /nfs/dbraw/zinc/44/41/59/1175444159.db2.gz DBZMVOKWVQHTIN-ZNMIVQPWSA-N 2 0 279.428 1.674 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001690408150 1175465395 /nfs/dbraw/zinc/46/53/95/1175465395.db2.gz ZALRZWTWKHSGGG-GJZGRUSLSA-N 2 0 297.418 1.128 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001690751604 1175563512 /nfs/dbraw/zinc/56/35/12/1175563512.db2.gz ORRPCYKPEUKDBW-HNNXBMFYSA-N 2 0 291.439 1.487 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001698860445 1175968073 /nfs/dbraw/zinc/96/80/73/1175968073.db2.gz OMFCEUCXAYTSHN-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001699028346 1176049105 /nfs/dbraw/zinc/04/91/05/1176049105.db2.gz OEOYSKBRAHMXKH-HOTGVXAUSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001699972384 1176701318 /nfs/dbraw/zinc/70/13/18/1176701318.db2.gz YAYKOWTUOMKFMW-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001700317481 1176847490 /nfs/dbraw/zinc/84/74/90/1176847490.db2.gz IFTIZRFZFYTJNW-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001700556340 1177012628 /nfs/dbraw/zinc/01/26/28/1177012628.db2.gz YEMIQZCCYCETHO-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC1(C)C ZINC001700945328 1177203175 /nfs/dbraw/zinc/20/31/75/1177203175.db2.gz FSPWRNFDHDJYOY-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001712991746 1178289796 /nfs/dbraw/zinc/28/97/96/1178289796.db2.gz VSGSSPCKUYHZKR-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713160002 1178405658 /nfs/dbraw/zinc/40/56/58/1178405658.db2.gz BRZJKKSRRLIPIA-XFIYOXNOSA-N 2 0 293.455 1.918 10 30 CDEERP C#CCC[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001713220424 1178439671 /nfs/dbraw/zinc/43/96/71/1178439671.db2.gz KVUDCCLRXVTUEK-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001713518014 1178620891 /nfs/dbraw/zinc/62/08/91/1178620891.db2.gz TYPMSFSEJWIEKP-ZIAGYGMSSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713529523 1178629171 /nfs/dbraw/zinc/62/91/71/1178629171.db2.gz MGOMJXZYFKGUFI-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001713541859 1178634555 /nfs/dbraw/zinc/63/45/55/1178634555.db2.gz OCMRPLOHSCPGDS-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713541868 1178635096 /nfs/dbraw/zinc/63/50/96/1178635096.db2.gz OJVGFLCJBONDPC-CVEARBPZSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001713599472 1178675841 /nfs/dbraw/zinc/67/58/41/1178675841.db2.gz CNLLNBMSOVIHQV-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001714039514 1178941977 /nfs/dbraw/zinc/94/19/77/1178941977.db2.gz FLIYTVXDPBASOI-INIZCTEOSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001714278870 1179062812 /nfs/dbraw/zinc/06/28/12/1179062812.db2.gz PJJQXOWXQZTGCH-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001714412338 1179129184 /nfs/dbraw/zinc/12/91/84/1179129184.db2.gz MIEMGRLOGOTJPR-JKSUJKDBSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001714435779 1179137763 /nfs/dbraw/zinc/13/77/63/1179137763.db2.gz ZZDSWAPPAPZXCD-AWEZNQCLSA-N 2 0 279.428 1.084 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001714674525 1179316359 /nfs/dbraw/zinc/31/63/59/1179316359.db2.gz CZWNDXUOUSNZBY-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001715414107 1179661806 /nfs/dbraw/zinc/66/18/06/1179661806.db2.gz CKIFXEWLRHPUAV-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001715820597 1179849261 /nfs/dbraw/zinc/84/92/61/1179849261.db2.gz YTSYRIUMRRFQHN-XHPSBEMXSA-N 2 0 277.412 1.145 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716449846 1180216585 /nfs/dbraw/zinc/21/65/85/1180216585.db2.gz BSNLVOKODMEJBV-KKUMJFAQSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001716452558 1180218626 /nfs/dbraw/zinc/21/86/26/1180218626.db2.gz IIJFJDNJXWDWSG-LBPRGKRZSA-N 2 0 255.406 1.245 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001716623103 1180312259 /nfs/dbraw/zinc/31/22/59/1180312259.db2.gz BODBGRCOPKFVDH-HOCLYGCPSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH+]1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001716751040 1180399349 /nfs/dbraw/zinc/39/93/49/1180399349.db2.gz VVIJUMUFXHLMLM-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP CC#CC[NH+]1CCC(C)(CNC(=O)CCC[NH+](C)C)CC1 ZINC001716887264 1180452823 /nfs/dbraw/zinc/45/28/23/1180452823.db2.gz GJMXLUUSKGKUCO-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001717043170 1180510859 /nfs/dbraw/zinc/51/08/59/1180510859.db2.gz XWDNNJAOKLQWCS-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001717109409 1180533070 /nfs/dbraw/zinc/53/30/70/1180533070.db2.gz CVDSORURQHTIPE-KGLIPLIRSA-N 2 0 299.846 1.519 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001717162183 1180555020 /nfs/dbraw/zinc/55/50/20/1180555020.db2.gz JRIUKQFBZRQPOH-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001717423731 1180664512 /nfs/dbraw/zinc/66/45/12/1180664512.db2.gz WSMIBFKPIVHWLD-KBPBESRZSA-N 2 0 279.428 1.367 10 30 CDEERP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001717497659 1180710763 /nfs/dbraw/zinc/71/07/63/1180710763.db2.gz HJGXSHFKXUUMSH-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001723297721 1181533874 /nfs/dbraw/zinc/53/38/74/1181533874.db2.gz KUPKZQIXGAIMJI-CVEARBPZSA-N 2 0 291.439 1.367 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001723815661 1181607511 /nfs/dbraw/zinc/60/75/11/1181607511.db2.gz XMTJYUASQZGWDV-CQSZACIVSA-N 2 0 279.428 1.580 10 30 CDEERP CC#CC[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001724185421 1181650320 /nfs/dbraw/zinc/65/03/20/1181650320.db2.gz YDHMXFIOEUKNSU-INIZCTEOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001724707506 1181730653 /nfs/dbraw/zinc/73/06/53/1181730653.db2.gz LDKFNFSQVOGWPT-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCC1 ZINC001724799784 1181758480 /nfs/dbraw/zinc/75/84/80/1181758480.db2.gz HUWICPLLLAXMPO-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CCO1 ZINC001724823962 1181765306 /nfs/dbraw/zinc/76/53/06/1181765306.db2.gz OSUICAAPECYFGH-HNNXBMFYSA-N 2 0 297.443 1.111 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001725116424 1181869588 /nfs/dbraw/zinc/86/95/88/1181869588.db2.gz LLYJQGWMDMWBEZ-KGLIPLIRSA-N 2 0 297.443 1.156 10 30 CDEERP C=C(C)C[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001725137926 1181880034 /nfs/dbraw/zinc/88/00/34/1181880034.db2.gz LDXXCSDTAIFGKJ-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001725197706 1181920302 /nfs/dbraw/zinc/92/03/02/1181920302.db2.gz VDGQUAUUZPGWFW-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001725237422 1181932180 /nfs/dbraw/zinc/93/21/80/1181932180.db2.gz BULMADKWBGACBV-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001725238966 1181933653 /nfs/dbraw/zinc/93/36/53/1181933653.db2.gz ISCACLKDKPJNNJ-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001725390843 1181984911 /nfs/dbraw/zinc/98/49/11/1181984911.db2.gz XMUXRPQWRRZNJI-CVEARBPZSA-N 2 0 293.455 1.757 10 30 CDEERP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001725427311 1181995181 /nfs/dbraw/zinc/99/51/81/1181995181.db2.gz MYXZIDNCIWPUSU-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725487299 1182020774 /nfs/dbraw/zinc/02/07/74/1182020774.db2.gz BRLOWQPZPPOAER-DZGCQCFKSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001725626297 1182076142 /nfs/dbraw/zinc/07/61/42/1182076142.db2.gz NVVPPDNBTDBMDS-HRCADAONSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001725626293 1182076776 /nfs/dbraw/zinc/07/67/76/1182076776.db2.gz NVVPPDNBTDBMDS-BZUAXINKSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001731372337 1182342120 /nfs/dbraw/zinc/34/21/20/1182342120.db2.gz LGAGFUGNWOOTSZ-CHWSQXEVSA-N 2 0 271.380 1.043 10 30 CDEERP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001731543371 1182442924 /nfs/dbraw/zinc/44/29/24/1182442924.db2.gz KMKBEEWUNCQGSI-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001731694196 1182520420 /nfs/dbraw/zinc/52/04/20/1182520420.db2.gz WUVOIMFGUIMVGU-UONOGXRCSA-N 2 0 279.428 1.674 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001731867719 1182637921 /nfs/dbraw/zinc/63/79/21/1182637921.db2.gz VSUHBSQUCPPPRL-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001732490469 1182988098 /nfs/dbraw/zinc/98/80/98/1182988098.db2.gz XNLBCQBCDRZBRB-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001732559505 1183009752 /nfs/dbraw/zinc/00/97/52/1183009752.db2.gz AEPRDQFEXVOYCH-JKSUJKDBSA-N 2 0 293.455 1.470 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001732564399 1183011074 /nfs/dbraw/zinc/01/10/74/1183011074.db2.gz HLXGCLNWSBCTBZ-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[N@@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001732592751 1183033601 /nfs/dbraw/zinc/03/36/01/1183033601.db2.gz OFZJJCUNYLWZHN-AWEZNQCLSA-N 2 0 267.417 1.130 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001733130356 1183301620 /nfs/dbraw/zinc/30/16/20/1183301620.db2.gz CHPOTMIIKWAJEA-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001733146832 1183306597 /nfs/dbraw/zinc/30/65/97/1183306597.db2.gz PUVLJBPQWWMSDT-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP C#CCC[NH+]1CC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001733219700 1183347678 /nfs/dbraw/zinc/34/76/78/1183347678.db2.gz PQDLGMSNTQFNEQ-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001733850505 1183549222 /nfs/dbraw/zinc/54/92/22/1183549222.db2.gz SECHRWJWBIXEHE-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001733938117 1183574986 /nfs/dbraw/zinc/57/49/86/1183574986.db2.gz NUKHVKCDGFVVSF-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001734254753 1183705670 /nfs/dbraw/zinc/70/56/70/1183705670.db2.gz MWXGKFMVQLPIOQ-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001734408385 1183766763 /nfs/dbraw/zinc/76/67/63/1183766763.db2.gz OLJURWAMFGNACY-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC1(C)C ZINC001734508544 1183803251 /nfs/dbraw/zinc/80/32/51/1183803251.db2.gz MSMOUQLHAJIYBC-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000925672792 726832218 /nfs/dbraw/zinc/83/22/18/726832218.db2.gz JQKKCQNAASEZSM-JSGCOSHPSA-N 2 0 258.369 1.949 10 30 CDEERP C[NH+]=C(NCc1ccco1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261949370 726011724 /nfs/dbraw/zinc/01/17/24/726011724.db2.gz GWOHDYFMUBRRGL-TZMCWYRMSA-N 2 0 278.400 1.673 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000876734042 726159708 /nfs/dbraw/zinc/15/97/08/726159708.db2.gz NXZIQSAQFPOIJK-NEPJUHHUSA-N 2 0 273.808 1.303 10 30 CDEERP C[NH2+]Cc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852881725 726230255 /nfs/dbraw/zinc/23/02/55/726230255.db2.gz ONCIOZFZJOCDNA-UHFFFAOYSA-N 2 0 271.364 1.348 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000876722853 726274589 /nfs/dbraw/zinc/27/45/89/726274589.db2.gz GSRLTDZLQVZTFR-NWDGAFQWSA-N 2 0 273.808 1.447 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000876712691 726284648 /nfs/dbraw/zinc/28/46/48/726284648.db2.gz SWCRECRGJJUVDY-LBPRGKRZSA-N 2 0 273.808 1.449 10 30 CDEERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852884391 726838614 /nfs/dbraw/zinc/83/86/14/726838614.db2.gz XBTWECFVUSZISG-CQSZACIVSA-N 2 0 291.439 1.178 10 30 CDEERP C[C@@H]1C[NH2+]C[C@H]1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000925786213 726876783 /nfs/dbraw/zinc/87/67/83/726876783.db2.gz SCVNVKGILKIBFS-CXAGYDPISA-N 2 0 284.407 1.725 10 30 CDEERP C[N@@H+]1C[C@@H]2C[NH+](CCCC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000933731528 726877934 /nfs/dbraw/zinc/87/79/34/726877934.db2.gz BLSXPCCYJXMZSD-CVEARBPZSA-N 2 0 291.439 1.970 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC(C)(C)O1 ZINC000186888066 727017555 /nfs/dbraw/zinc/01/75/55/727017555.db2.gz LDLVWLBCEZCYDS-STQMWFEESA-N 2 0 282.432 1.333 10 30 CDEERP CCCCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCOC ZINC000303973413 727068247 /nfs/dbraw/zinc/06/82/47/727068247.db2.gz GUGVXQDQBLMBLY-CQSZACIVSA-N 2 0 284.448 1.582 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000876726923 727355354 /nfs/dbraw/zinc/35/53/54/727355354.db2.gz BSMSUURITGOWSS-JQWIXIFHSA-N 2 0 271.792 1.057 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000876712168 727359913 /nfs/dbraw/zinc/35/99/13/727359913.db2.gz MYFIWTOFKDPBDG-NSHDSACASA-N 2 0 259.781 1.058 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CCC[NH2+]1 ZINC000877248958 727370994 /nfs/dbraw/zinc/37/09/94/727370994.db2.gz GMAGLSMBVURMGP-SQWLQELKSA-N 2 0 277.412 1.237 10 30 CDEERP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000303991520 727412276 /nfs/dbraw/zinc/41/22/76/727412276.db2.gz ZOOZLKYESNXLFW-AWEZNQCLSA-N 2 0 282.432 1.334 10 30 CDEERP C#CCCCCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000878109883 1166144283 /nfs/dbraw/zinc/14/42/83/1166144283.db2.gz YVZYTQAKNJUSJY-UHFFFAOYSA-N 2 0 266.429 1.959 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001568411456 1167531157 /nfs/dbraw/zinc/53/11/57/1167531157.db2.gz DTCKVVMHLBANFW-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C[NH+](C)CC#CCNC(=O)NCC[N@H+](C)C1CCCCC1 ZINC001565496851 1168148155 /nfs/dbraw/zinc/14/81/55/1168148155.db2.gz TYYOGLGOMQBZDJ-UHFFFAOYSA-N 2 0 294.443 1.115 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001565805099 1168170977 /nfs/dbraw/zinc/17/09/77/1168170977.db2.gz VZCKBDOQHTVJLW-HNNXBMFYSA-N 2 0 279.428 1.581 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001566726786 1168401659 /nfs/dbraw/zinc/40/16/59/1168401659.db2.gz WFKIPMRIVLUOIR-INIZCTEOSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001566792899 1168424545 /nfs/dbraw/zinc/42/45/45/1168424545.db2.gz CGGISPCPBZDPLG-RBSFLKMASA-N 2 0 279.428 1.674 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001647383991 1168632686 /nfs/dbraw/zinc/63/26/86/1168632686.db2.gz LDKMMQLIHHBFBK-JSGCOSHPSA-N 2 0 285.819 1.449 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001567431862 1168756189 /nfs/dbraw/zinc/75/61/89/1168756189.db2.gz UULSPGSGSPHBNG-AWEZNQCLSA-N 2 0 267.417 1.034 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001266324931 894390793 /nfs/dbraw/zinc/39/07/93/894390793.db2.gz GNDCNRMONIPONH-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266408550 894748249 /nfs/dbraw/zinc/74/82/49/894748249.db2.gz LYBVAEUUBAYLDS-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001266483281 895032149 /nfs/dbraw/zinc/03/21/49/895032149.db2.gz SFEUKMBJPJZZSL-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266620278 895608782 /nfs/dbraw/zinc/60/87/82/895608782.db2.gz RIRAETHUHJYQMG-RBSFLKMASA-N 2 0 281.444 1.776 10 30 CDEERP C#CC[N@@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001283332164 896495141 /nfs/dbraw/zinc/49/51/41/896495141.db2.gz RLJSJCODNHDXQW-INIZCTEOSA-N 2 0 293.455 1.663 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267058386 896653000 /nfs/dbraw/zinc/65/30/00/896653000.db2.gz KSCNVXCOFPKYKK-HNNXBMFYSA-N 2 0 293.455 1.426 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001267152039 896932854 /nfs/dbraw/zinc/93/28/54/896932854.db2.gz WNAFBTUMOCHGSH-AWEZNQCLSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267175073 897013400 /nfs/dbraw/zinc/01/34/00/897013400.db2.gz PIESKLGGJRXAMG-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267241833 897299752 /nfs/dbraw/zinc/29/97/52/897299752.db2.gz MMPVEIXALZZXNW-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001267307794 897552518 /nfs/dbraw/zinc/55/25/18/897552518.db2.gz HPGFXSGZGAKDKW-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001267491893 898147225 /nfs/dbraw/zinc/14/72/25/898147225.db2.gz PMSFZXZVBVYDHR-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267531525 898262852 /nfs/dbraw/zinc/26/28/52/898262852.db2.gz SVUQTDALIQVPKO-HOCLYGCPSA-N 2 0 291.439 1.342 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267564832 898380502 /nfs/dbraw/zinc/38/05/02/898380502.db2.gz FZXWZYBXTNFYNB-HNNXBMFYSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267567915 898389733 /nfs/dbraw/zinc/38/97/33/898389733.db2.gz GPWRCCXBVDOTAF-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[N@@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480975074 898416122 /nfs/dbraw/zinc/41/61/22/898416122.db2.gz FWXFXISWYUAUEK-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001267742893 899524957 /nfs/dbraw/zinc/52/49/57/899524957.db2.gz DHUBOZMPUUODGC-CQSZACIVSA-N 2 0 276.384 1.499 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001267945997 900018462 /nfs/dbraw/zinc/01/84/62/900018462.db2.gz GECKZZOVGJQADW-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001268068936 901093689 /nfs/dbraw/zinc/09/36/89/901093689.db2.gz OENZZAAMPRYCPO-KGLIPLIRSA-N 2 0 269.433 1.585 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001268140612 901397104 /nfs/dbraw/zinc/39/71/04/901397104.db2.gz ILWKXMZPHKCLHL-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001481614676 901465562 /nfs/dbraw/zinc/46/55/62/901465562.db2.gz HGYWYLLQWLYMOX-HIFRSBDPSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481741072 901990473 /nfs/dbraw/zinc/99/04/73/901990473.db2.gz VYVWDSFPMALNSU-HUUCEWRRSA-N 2 0 281.444 1.681 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481754188 902018901 /nfs/dbraw/zinc/01/89/01/902018901.db2.gz JVPPTNFMDKLQCH-INIZCTEOSA-N 2 0 291.439 1.418 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)CCC[NH+]1CCCC1)C(C)C ZINC001496639882 902186544 /nfs/dbraw/zinc/18/65/44/902186544.db2.gz UQRQTYYWOKBKAY-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001482021809 902479594 /nfs/dbraw/zinc/47/95/94/902479594.db2.gz BWXKQZPXVHKIBF-HDJSIYSDSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001482027034 902483750 /nfs/dbraw/zinc/48/37/50/902483750.db2.gz WICNDPHWJYJIMY-WKILWMFISA-N 2 0 293.455 1.759 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269273706 903636823 /nfs/dbraw/zinc/63/68/23/903636823.db2.gz AVPXFZXCNXKRNB-HUUCEWRRSA-N 2 0 279.428 1.129 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001269422446 903796605 /nfs/dbraw/zinc/79/66/05/903796605.db2.gz BJYNTZCDWNWUJX-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001284640620 904131225 /nfs/dbraw/zinc/13/12/25/904131225.db2.gz GONUVGREPROWOY-LSDHHAIUSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H](C)C1 ZINC001269980075 904248054 /nfs/dbraw/zinc/24/80/54/904248054.db2.gz DLVGIIIJGIJZGQ-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001270058751 904314476 /nfs/dbraw/zinc/31/44/76/904314476.db2.gz LUVHRNHBULBJMO-LSDHHAIUSA-N 2 0 297.418 1.270 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001270605254 904782531 /nfs/dbraw/zinc/78/25/31/904782531.db2.gz XOCWKFFVQKPVAX-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001271181989 906147798 /nfs/dbraw/zinc/14/77/98/906147798.db2.gz PNOFYVFFKOKHEM-KBPBESRZSA-N 2 0 267.417 1.032 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001271528948 906504724 /nfs/dbraw/zinc/50/47/24/906504724.db2.gz DASCIZBPZAMHMW-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001567964907 1169098053 /nfs/dbraw/zinc/09/80/53/1169098053.db2.gz PRZFEMKUBOVZBN-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001496895676 910976213 /nfs/dbraw/zinc/97/62/13/910976213.db2.gz SAMGXVKAAJPOFH-LSDHHAIUSA-N 2 0 291.439 1.675 10 30 CDEERP C=C(C)C[NH+](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001483404088 911068327 /nfs/dbraw/zinc/06/83/27/911068327.db2.gz PEHQYIIAQDDWCY-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001507415684 911101958 /nfs/dbraw/zinc/10/19/58/911101958.db2.gz LKCRHKORTIESDQ-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001483442104 911125724 /nfs/dbraw/zinc/12/57/24/911125724.db2.gz MPWCHRDYLVEYJX-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484176617 915492432 /nfs/dbraw/zinc/49/24/32/915492432.db2.gz VVXGBBSJYXLQBS-NVXWUHKLSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001484582448 915899756 /nfs/dbraw/zinc/89/97/56/915899756.db2.gz XHMNAHRYWSBEAQ-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001484634907 915963765 /nfs/dbraw/zinc/96/37/65/915963765.db2.gz YFDJEKMDRSUVPU-HNNXBMFYSA-N 2 0 291.439 1.533 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001484757621 916144979 /nfs/dbraw/zinc/14/49/79/916144979.db2.gz PFZJRRYUUPKVGG-UHFFFAOYSA-N 2 0 255.406 1.295 10 30 CDEERP CC#CC[NH2+][C@H](CCN(C)C(=O)CC[NH+](C)C)C(C)C ZINC001485437008 916967743 /nfs/dbraw/zinc/96/77/43/916967743.db2.gz LBTRWXHLISBAHB-OAHLLOKOSA-N 2 0 281.444 1.424 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001485918829 920575666 /nfs/dbraw/zinc/57/56/66/920575666.db2.gz IOWNITBRSPLXTJ-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485955444 920593898 /nfs/dbraw/zinc/59/38/98/920593898.db2.gz MJRJJKNEVDZLBV-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001490905148 936689865 /nfs/dbraw/zinc/68/98/65/936689865.db2.gz ZQCOYZKLHDVHFC-SHTZXODSSA-N 2 0 291.439 1.675 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC(C)(C)O1 ZINC000186888043 922023870 /nfs/dbraw/zinc/02/38/70/922023870.db2.gz LDLVWLBCEZCYDS-OLZOCXBDSA-N 2 0 282.432 1.333 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001491169735 936868574 /nfs/dbraw/zinc/86/85/74/936868574.db2.gz QUNRHUPAVHHVMV-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001488663992 926653997 /nfs/dbraw/zinc/65/39/97/926653997.db2.gz QIHABBMMLNDYFJ-OLZOCXBDSA-N 2 0 253.390 1.045 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001324248910 926750700 /nfs/dbraw/zinc/75/07/00/926750700.db2.gz FICPUYKNAXVINX-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490729807 927337140 /nfs/dbraw/zinc/33/71/40/927337140.db2.gz XUWYXPCQUJLWRP-GXTWGEPZSA-N 2 0 299.846 1.565 10 30 CDEERP C#CCSCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850153653 927384154 /nfs/dbraw/zinc/38/41/54/927384154.db2.gz JIHNNDDULVBJNV-UHFFFAOYSA-N 2 0 272.377 1.723 10 30 CDEERP C[NH+](C)CCc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852864264 927901503 /nfs/dbraw/zinc/90/15/03/927901503.db2.gz QOUIOLRMIXSDCV-UHFFFAOYSA-N 2 0 299.418 1.732 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001274446915 931500746 /nfs/dbraw/zinc/50/07/46/931500746.db2.gz SVMPMEIYYJWHOP-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001137033687 931504614 /nfs/dbraw/zinc/50/46/14/931504614.db2.gz LKRMFCSRIZIMJA-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001275310048 931731385 /nfs/dbraw/zinc/73/13/85/931731385.db2.gz XSRKHKVGTCWXKZ-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001568630487 1169407162 /nfs/dbraw/zinc/40/71/62/1169407162.db2.gz DSMBTPVCCWAZKR-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001122202581 937912735 /nfs/dbraw/zinc/91/27/35/937912735.db2.gz NUIXMXOYWDFORU-KBPBESRZSA-N 2 0 295.427 1.026 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001122509399 937938260 /nfs/dbraw/zinc/93/82/60/937938260.db2.gz WKUMMRFHAQWDGO-ZBFHGGJFSA-N 2 0 279.428 1.805 10 30 CDEERP CC#CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001276414826 939698254 /nfs/dbraw/zinc/69/82/54/939698254.db2.gz XZVGNXIQYGNMNC-CQSZACIVSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001276727566 940903497 /nfs/dbraw/zinc/90/34/97/940903497.db2.gz PXMZKAZNVYPOHV-APIJFGDWSA-N 2 0 279.428 1.197 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001277210164 942178043 /nfs/dbraw/zinc/17/80/43/942178043.db2.gz JFVXVCYPICVQBS-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001277298990 942314022 /nfs/dbraw/zinc/31/40/22/942314022.db2.gz KJTGCTOYVRPQMF-HNNXBMFYSA-N 2 0 295.471 1.862 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001280480297 942450785 /nfs/dbraw/zinc/45/07/85/942450785.db2.gz JIHVWZBYGHKODK-CQSZACIVSA-N 2 0 277.412 1.121 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001282334941 942689957 /nfs/dbraw/zinc/68/99/57/942689957.db2.gz KHYXIADJDXOMOF-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001282461573 942716355 /nfs/dbraw/zinc/71/63/55/942716355.db2.gz NMNPQIQLBAZXEU-AWEZNQCLSA-N 2 0 281.444 1.424 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001282478465 942720837 /nfs/dbraw/zinc/72/08/37/942720837.db2.gz RBIJTYIZXQNHRV-STQMWFEESA-N 2 0 255.406 1.339 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001283174270 942844578 /nfs/dbraw/zinc/84/45/78/942844578.db2.gz RNQCUJRYLUVISW-HZPDHXFCSA-N 2 0 293.455 1.757 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001316628416 942938009 /nfs/dbraw/zinc/93/80/09/942938009.db2.gz MWNAUJMLXNZJGA-FPCVCCKLSA-N 2 0 293.455 1.920 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001316630372 943011191 /nfs/dbraw/zinc/01/11/91/943011191.db2.gz JGDMUXOCZFTAOB-BZUAXINKSA-N 2 0 291.439 1.367 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284018314 943051357 /nfs/dbraw/zinc/05/13/57/943051357.db2.gz SPKSBHASTLTIRZ-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001277755968 943480186 /nfs/dbraw/zinc/48/01/86/943480186.db2.gz LBOCJLWADKVFIX-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264424414 944132620 /nfs/dbraw/zinc/13/26/20/944132620.db2.gz HFOPNDPGFJOWAI-RBSFLKMASA-N 2 0 281.444 1.777 10 30 CDEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265231060 944286939 /nfs/dbraw/zinc/28/69/39/944286939.db2.gz REUOVLDAOGGNGW-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001265378158 944365730 /nfs/dbraw/zinc/36/57/30/944365730.db2.gz HTRIZYNDEPJVNY-KBPBESRZSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001265826693 944527431 /nfs/dbraw/zinc/52/74/31/944527431.db2.gz JOKZKCPXMKLCRS-UAGQMJEPSA-N 2 0 299.418 1.059 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266029402 944643515 /nfs/dbraw/zinc/64/35/15/944643515.db2.gz PRVSSNNKQCURPX-CABCVRRESA-N 2 0 279.428 1.034 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266143768 944710633 /nfs/dbraw/zinc/71/06/33/944710633.db2.gz IOHCQGGGFNNVHT-LSDHHAIUSA-N 2 0 281.444 1.920 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001278310064 945729390 /nfs/dbraw/zinc/72/93/90/945729390.db2.gz YIZBVTKOIPYASI-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001479816231 971434566 /nfs/dbraw/zinc/43/45/66/971434566.db2.gz RSMYEAFWRQTFBO-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001279017161 948608251 /nfs/dbraw/zinc/60/82/51/948608251.db2.gz IWGGPMALBOTNEE-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001480021025 971541173 /nfs/dbraw/zinc/54/11/73/971541173.db2.gz MBFNGTRGMCEYCM-ARFHVFGLSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480173200 971612452 /nfs/dbraw/zinc/61/24/52/971612452.db2.gz BFWQNVRXHIBELB-JYJNAYRXSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480207566 971628450 /nfs/dbraw/zinc/62/84/50/971628450.db2.gz CGRGBLTVCYSDTL-BETUJISGSA-N 2 0 265.401 1.284 10 30 CDEERP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001493264022 972001228 /nfs/dbraw/zinc/00/12/28/972001228.db2.gz NMJVLSGWYCHEPO-HNNXBMFYSA-N 2 0 279.428 1.487 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001493269724 972003618 /nfs/dbraw/zinc/00/36/18/972003618.db2.gz YRLHGSLCBYVQBO-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP C#CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001493375453 972035798 /nfs/dbraw/zinc/03/57/98/972035798.db2.gz IFNWXGWZBJXHBA-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001327942614 955123981 /nfs/dbraw/zinc/12/39/81/955123981.db2.gz VYMXPGIZZYMNPJ-LSDHHAIUSA-N 2 0 291.439 1.485 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001316666775 955290919 /nfs/dbraw/zinc/29/09/19/955290919.db2.gz MIQYWPZYHUAFGX-LSDHHAIUSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCOCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001331489471 957098756 /nfs/dbraw/zinc/09/87/56/957098756.db2.gz LPROVWXMGVEADA-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001317051605 957227912 /nfs/dbraw/zinc/22/79/12/957227912.db2.gz JLEDIWVZKKONDO-IYBDPMFKSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001332052548 957416872 /nfs/dbraw/zinc/41/68/72/957416872.db2.gz ZEOSPRHHUCCGHK-LSDHHAIUSA-N 2 0 291.439 1.627 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCC[NH2+]1 ZINC001332109548 957436337 /nfs/dbraw/zinc/43/63/37/957436337.db2.gz CBRGXXFTXULEMQ-YPMHNXCESA-N 2 0 287.354 1.046 10 30 CDEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001317379858 957443387 /nfs/dbraw/zinc/44/33/87/957443387.db2.gz SXIJFMXWKOMAAB-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)CCC[NH+](C)C ZINC001317428588 957467017 /nfs/dbraw/zinc/46/70/17/957467017.db2.gz CTDOQLTYCYQGHT-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001317478629 957502530 /nfs/dbraw/zinc/50/25/30/957502530.db2.gz QZIZUUOSFSFPMO-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317535929 957533521 /nfs/dbraw/zinc/53/35/21/957533521.db2.gz KVYVSKYNFRCDFW-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]C[C@@](C)(NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001318729748 958248266 /nfs/dbraw/zinc/24/82/66/958248266.db2.gz POSNDVJRJBCLEG-WMLDXEAASA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)CCCn1ccnc1 ZINC001319134730 958392156 /nfs/dbraw/zinc/39/21/56/958392156.db2.gz OPNQVVHNXGYOIN-OAHLLOKOSA-N 2 0 290.411 1.820 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001368896622 959234621 /nfs/dbraw/zinc/23/46/21/959234621.db2.gz LLWROQINRHRHJD-RYUDHWBXSA-N 2 0 285.819 1.318 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001320564902 959245956 /nfs/dbraw/zinc/24/59/56/959245956.db2.gz UMUVDTMQOWDBBA-LSDHHAIUSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001320756922 959371751 /nfs/dbraw/zinc/37/17/51/959371751.db2.gz UNCVSKWTYGRCIG-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]C(C)C)CC1 ZINC001321416336 959775418 /nfs/dbraw/zinc/77/54/18/959775418.db2.gz IHZIVOIGQFNHST-WAYWQWQTSA-N 2 0 277.412 1.002 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001495434836 972499248 /nfs/dbraw/zinc/49/92/48/972499248.db2.gz NLSOVMWPGLJYQV-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001323692912 960919437 /nfs/dbraw/zinc/91/94/37/960919437.db2.gz HURPYTRBQPDXNV-CABCVRRESA-N 2 0 277.412 1.027 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001324286075 961283811 /nfs/dbraw/zinc/28/38/11/961283811.db2.gz NSTQUXZNPXDJPD-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001420784698 963235672 /nfs/dbraw/zinc/23/56/72/963235672.db2.gz HKAMMVFJHHQMTK-STQMWFEESA-N 2 0 285.819 1.175 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001341564878 963464900 /nfs/dbraw/zinc/46/49/00/963464900.db2.gz QFVAMRTXMQLUQN-AXFHLTTASA-N 2 0 293.333 1.266 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001540797938 967172699 /nfs/dbraw/zinc/17/26/99/967172699.db2.gz KLUYSOOZTVTAHZ-TZMCWYRMSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001355339710 969129376 /nfs/dbraw/zinc/12/93/76/969129376.db2.gz QCQSMAMHRDMGEB-KCQAQPDRSA-N 2 0 265.401 1.400 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001357993671 969676316 /nfs/dbraw/zinc/67/63/16/969676316.db2.gz PZTFHAAVOHFKFP-RDBSUJKOSA-N 2 0 265.401 1.223 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001496158806 972822990 /nfs/dbraw/zinc/82/29/90/972822990.db2.gz TYVZZUIVPFMMRY-ZIAGYGMSSA-N 2 0 267.417 1.177 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001497816544 973534925 /nfs/dbraw/zinc/53/49/25/973534925.db2.gz SWDRDXYQXVQZJS-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001498858680 974081942 /nfs/dbraw/zinc/08/19/42/974081942.db2.gz NKEJARNXXQWEBM-AWEZNQCLSA-N 2 0 277.412 1.143 10 30 CDEERP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001500520055 974447808 /nfs/dbraw/zinc/44/78/08/974447808.db2.gz XVVQDKCQYHSIED-INIZCTEOSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001501962014 974664510 /nfs/dbraw/zinc/66/45/10/974664510.db2.gz PLHAGYWSXXLZDF-UHFFFAOYSA-N 2 0 277.412 1.123 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001506014904 975085382 /nfs/dbraw/zinc/08/53/82/975085382.db2.gz KUYGFYVZLDHYEJ-CVEARBPZSA-N 2 0 293.455 1.709 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001506065016 975106767 /nfs/dbraw/zinc/10/67/67/975106767.db2.gz HFKLZPAIEWOLKY-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001506888460 975247173 /nfs/dbraw/zinc/24/71/73/975247173.db2.gz LERQWOFMLLTTTA-KKUMJFAQSA-N 2 0 279.428 1.080 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001506936903 975266227 /nfs/dbraw/zinc/26/62/27/975266227.db2.gz WUSMSEURWYBVQM-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001507287426 975398782 /nfs/dbraw/zinc/39/87/82/975398782.db2.gz AFULFGSLPNRVSU-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001507904165 975562974 /nfs/dbraw/zinc/56/29/74/975562974.db2.gz SBEPFUVKQVWOPR-CHWSQXEVSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001398946117 976263288 /nfs/dbraw/zinc/26/32/88/976263288.db2.gz FOQYVZXKYDOSMR-QWHCGFSZSA-N 2 0 287.835 1.708 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C(C)(C)C ZINC001677292245 1174344868 /nfs/dbraw/zinc/34/48/68/1174344868.db2.gz YHWIJXNEKCCWQY-HNNXBMFYSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001570826849 1170289501 /nfs/dbraw/zinc/28/95/01/1170289501.db2.gz FFKBCIKKKHGMKE-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001571392048 1170407977 /nfs/dbraw/zinc/40/79/77/1170407977.db2.gz ODURDPSCTBYOKI-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001571519963 1170462059 /nfs/dbraw/zinc/46/20/59/1170462059.db2.gz YYBONPMOMKNQFN-LSDHHAIUSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001571519961 1170462352 /nfs/dbraw/zinc/46/23/52/1170462352.db2.gz YYBONPMOMKNQFN-GJZGRUSLSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001571631447 1170501571 /nfs/dbraw/zinc/50/15/71/1170501571.db2.gz YQFFMGUMSOUADM-CYBMUJFWSA-N 2 0 281.444 1.635 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001656957439 1171905834 /nfs/dbraw/zinc/90/58/34/1171905834.db2.gz PYXONMZSRMDBBO-ILXRZTDVSA-N 2 0 299.434 1.821 10 30 CDEERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436719 342899859 /nfs/dbraw/zinc/89/98/59/342899859.db2.gz FWIUEIDHVPWVEJ-RBSFLKMASA-N 2 0 294.443 1.634 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000594438894 342906415 /nfs/dbraw/zinc/90/64/15/342906415.db2.gz QOBPGQUKPQKWSO-KGLIPLIRSA-N 2 0 278.400 1.094 10 30 CDEERP CC(C)C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)NCC[NH+](C)C ZINC000442849035 362095962 /nfs/dbraw/zinc/09/59/62/362095962.db2.gz ZWNBIAHQLGCBEJ-ZNMIVQPWSA-N 2 0 294.443 1.361 10 30 CDEERP N#Cc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312007587 350737852 /nfs/dbraw/zinc/73/78/52/350737852.db2.gz IAZGRBFUPFCDFU-GASCZTMLSA-N 2 0 255.365 1.990 10 30 CDEERP C=C(C)[C@@H](CO)[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000678049682 538886076 /nfs/dbraw/zinc/88/60/76/538886076.db2.gz ORRKTMBHLAPRQZ-QGZVFWFLSA-N 2 0 298.471 1.994 10 30 CDEERP CCN1CCO[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135179260 357759702 /nfs/dbraw/zinc/75/97/02/357759702.db2.gz WUKATHOZSJNGKY-CYBMUJFWSA-N 2 0 253.390 1.627 10 30 CDEERP CCN(CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@H](C)C#N ZINC000157646460 360937185 /nfs/dbraw/zinc/93/71/85/360937185.db2.gz FMBFEGYUFDNTMM-CYBMUJFWSA-N 2 0 292.427 1.211 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001661841476 1172454953 /nfs/dbraw/zinc/45/49/53/1172454953.db2.gz AYFPAAVGCQYDIS-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001662899202 1172612132 /nfs/dbraw/zinc/61/21/32/1172612132.db2.gz SGBHJXCSFVASHQ-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP CC[NH+](CC)[C@@H]1CCN(Cc2cccc(C#CC[NH3+])c2)C1 ZINC000062967856 184568294 /nfs/dbraw/zinc/56/82/94/184568294.db2.gz QCFGLZBJYRZJSG-GOSISDBHSA-N 2 0 285.435 1.913 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001663684277 1172746275 /nfs/dbraw/zinc/74/62/75/1172746275.db2.gz VBBYNVRJPTWNQA-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001664543271 1172865228 /nfs/dbraw/zinc/86/52/28/1172865228.db2.gz HJDNWTINASWBCD-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC[NH2+]1 ZINC000662682242 413307833 /nfs/dbraw/zinc/30/78/33/413307833.db2.gz OYUDYHLYTUNPEM-IJEWVQPXSA-N 2 0 277.412 1.428 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000662701845 413348952 /nfs/dbraw/zinc/34/89/52/413348952.db2.gz VNJPVQYCQBZGPW-WBVHZDCISA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC[NH2+]1 ZINC000662732591 413399752 /nfs/dbraw/zinc/39/97/52/413399752.db2.gz YHZDJTUTPVGZKL-KCQAQPDRSA-N 2 0 265.401 1.284 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001665731945 1173047694 /nfs/dbraw/zinc/04/76/94/1173047694.db2.gz PEWVKTROKSLHPV-HZPDHXFCSA-N 2 0 293.455 1.663 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC(CC[NH3+])CC2)CCC[NH2+]1 ZINC000662829421 413560381 /nfs/dbraw/zinc/56/03/81/413560381.db2.gz DCAYEEGBJGWUGS-HNNXBMFYSA-N 2 0 265.401 1.272 10 30 CDEERP C=CC[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662299613 414625601 /nfs/dbraw/zinc/62/56/01/414625601.db2.gz SHZAKRCOTBITGH-KGLIPLIRSA-N 2 0 250.386 1.796 10 30 CDEERP [NH3+]CC#Cc1csc(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000043689010 175095185 /nfs/dbraw/zinc/09/51/85/175095185.db2.gz WHFIHVJLGBIJDA-LBPRGKRZSA-N 2 0 250.367 1.015 10 30 CDEERP [NH3+]CC#Cc1csc(C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000043688837 175096071 /nfs/dbraw/zinc/09/60/71/175096071.db2.gz MOEKBXLZNYHLGF-AWEZNQCLSA-N 2 0 278.421 1.795 10 30 CDEERP CCCN[C@](C)(C#N)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045182207 175325285 /nfs/dbraw/zinc/32/52/85/175325285.db2.gz GOZSLPMLCBPOLS-INIZCTEOSA-N 2 0 280.460 1.932 10 30 CDEERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccccc1C#CC[NH3+] ZINC000071192978 176074645 /nfs/dbraw/zinc/07/46/45/176074645.db2.gz WTNGJFNZVWLFEW-CQSZACIVSA-N 2 0 285.391 1.021 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001666526299 1173147212 /nfs/dbraw/zinc/14/72/12/1173147212.db2.gz XITNGDKACYBLEC-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCOc1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000415138628 263276195 /nfs/dbraw/zinc/27/61/95/263276195.db2.gz HPLMIHDTLIIULQ-UHFFFAOYSA-N 2 0 276.380 1.537 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001667498275 1173276625 /nfs/dbraw/zinc/27/66/25/1173276625.db2.gz LOIVDJUTZINIAF-INIZCTEOSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001667771227 1173322706 /nfs/dbraw/zinc/32/27/06/1173322706.db2.gz QNZIYFHUKQKSLD-HOTGVXAUSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001669075721 1173502830 /nfs/dbraw/zinc/50/28/30/1173502830.db2.gz XGELEEVHXQMWSY-PLNGDYQASA-N 2 0 293.455 1.947 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001669967362 1173637480 /nfs/dbraw/zinc/63/74/80/1173637480.db2.gz KNSDCKQUXIGXDR-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)CNC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000262494278 330017566 /nfs/dbraw/zinc/01/75/66/330017566.db2.gz VZHGAKUACPXGMW-UHFFFAOYSA-N 2 0 250.390 1.484 10 30 CDEERP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001725237088 1159234827 /nfs/dbraw/zinc/23/48/27/1159234827.db2.gz ADTNSEBGCGMNEF-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001267331790 1159274978 /nfs/dbraw/zinc/27/49/78/1159274978.db2.gz RTNXAYBYGWTWHX-AWEZNQCLSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001731632361 1159318177 /nfs/dbraw/zinc/31/81/77/1159318177.db2.gz GZXASRBQPVIUAV-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001700475282 1176964080 /nfs/dbraw/zinc/96/40/80/1176964080.db2.gz WDFONIJJAOFDRF-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000680485191 483634603 /nfs/dbraw/zinc/63/46/03/483634603.db2.gz VINZJICNOKLZQV-HNNXBMFYSA-N 2 0 278.396 1.654 10 30 CDEERP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001725239553 1181933500 /nfs/dbraw/zinc/93/35/00/1181933500.db2.gz FXLNDPUMODUXOH-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001732174183 1182832259 /nfs/dbraw/zinc/83/22/59/1182832259.db2.gz VORSZYYERYYDGW-GJZGRUSLSA-N 2 0 279.428 1.273 10 30 CDEERP C#CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941158744 613226013 /nfs/dbraw/zinc/22/60/13/613226013.db2.gz UZLNINXMTNSIKC-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000939810519 613351297 /nfs/dbraw/zinc/35/12/97/613351297.db2.gz NBYGFEGAWCRIDD-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939256424 613874373 /nfs/dbraw/zinc/87/43/73/613874373.db2.gz CJIDXFVNIODUIY-HIFRSBDPSA-N 2 0 279.428 1.341 10 30 CDEERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(C#N)cc1F ZINC000925811799 617755143 /nfs/dbraw/zinc/75/51/43/617755143.db2.gz LAFXSDZBULDXGB-LBPRGKRZSA-N 2 0 290.386 1.771 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000900002605 622610522 /nfs/dbraw/zinc/61/05/22/622610522.db2.gz PEFFZMGYFOPKIU-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000900390516 622970860 /nfs/dbraw/zinc/97/08/60/622970860.db2.gz GXHFVEWWPAXCHA-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000907851118 627857947 /nfs/dbraw/zinc/85/79/47/627857947.db2.gz NHERETOHEULJPQ-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001690982199 1158513935 /nfs/dbraw/zinc/51/39/35/1158513935.db2.gz SPVULZBTEWDQMK-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001691324413 1159017851 /nfs/dbraw/zinc/01/78/51/1159017851.db2.gz FIVXLRRCXAUZEZ-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000876879331 1165932599 /nfs/dbraw/zinc/93/25/99/1165932599.db2.gz QHKVUVXEKROVRX-MNOVXSKESA-N 2 0 259.781 1.009 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877256776 1166005310 /nfs/dbraw/zinc/00/53/10/1166005310.db2.gz DWZHGDRNKCGYJZ-RISCZKNCSA-N 2 0 287.835 1.680 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001275168471 1166660545 /nfs/dbraw/zinc/66/05/45/1166660545.db2.gz XOXJCIYYNHQNBO-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CCC[NH+]1C1CC1 ZINC001640019659 1166984448 /nfs/dbraw/zinc/98/44/48/1166984448.db2.gz DPMWQJSVUHUQLF-OAHLLOKOSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001646799153 1168139883 /nfs/dbraw/zinc/13/98/83/1168139883.db2.gz MZVGNKGRQIVOSO-DMDPSCGWSA-N 2 0 271.792 1.105 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001646839446 1168183004 /nfs/dbraw/zinc/18/30/04/1168183004.db2.gz UOAHBNNBPSQXDB-NWDGAFQWSA-N 2 0 275.824 1.693 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001567229865 1168631652 /nfs/dbraw/zinc/63/16/52/1168631652.db2.gz ZSDNIAJLBAWQKS-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001567524448 1168831119 /nfs/dbraw/zinc/83/11/19/1168831119.db2.gz RVSBFWADJBQJTA-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001567928179 1169075431 /nfs/dbraw/zinc/07/54/31/1169075431.db2.gz CXBKLLWJWMDYOC-OAHLLOKOSA-N 2 0 279.428 1.581 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001568072904 1169133006 /nfs/dbraw/zinc/13/30/06/1169133006.db2.gz ILZCYTGKBSZZOI-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001568129738 1169141535 /nfs/dbraw/zinc/14/15/35/1169141535.db2.gz HYGUEPXCWPJUTK-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568172091 1169160820 /nfs/dbraw/zinc/16/08/20/1169160820.db2.gz NQUTWPUMKFQWLX-ZBFHGGJFSA-N 2 0 293.455 1.636 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001568192444 1169171335 /nfs/dbraw/zinc/17/13/35/1169171335.db2.gz WPHJLXWTFHHIIV-LSDHHAIUSA-N 2 0 279.428 1.084 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001568693414 1169434016 /nfs/dbraw/zinc/43/40/16/1169434016.db2.gz UFJOKIBJAPSKHW-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001569406974 1169861583 /nfs/dbraw/zinc/86/15/83/1169861583.db2.gz ZUJLQELAWUPAKM-UHFFFAOYSA-N 2 0 284.363 1.681 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001569612295 1169936542 /nfs/dbraw/zinc/93/65/42/1169936542.db2.gz ADYPMLPOWRNCFI-ZBFHGGJFSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001570108261 1170081604 /nfs/dbraw/zinc/08/16/04/1170081604.db2.gz PPDIHVZKEJGTRD-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001570359518 1170142322 /nfs/dbraw/zinc/14/23/22/1170142322.db2.gz WVNKSLMOQYRDCD-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001570676987 1170228797 /nfs/dbraw/zinc/22/87/97/1170228797.db2.gz OLHMSMFKJJMKJU-HNNXBMFYSA-N 2 0 295.471 1.670 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001571192703 1170343976 /nfs/dbraw/zinc/34/39/76/1170343976.db2.gz OKESPQIQLRCFMA-VGWMRTNUSA-N 2 0 293.455 1.777 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001669040147 1173497866 /nfs/dbraw/zinc/49/78/66/1173497866.db2.gz UBICJWXJNGMZTQ-VSQXVHSFSA-N 2 0 285.819 1.343 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001669075722 1173502048 /nfs/dbraw/zinc/50/20/48/1173502048.db2.gz XGELEEVHXQMWSY-SNAWJCMRSA-N 2 0 293.455 1.947 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001671518222 1173685700 /nfs/dbraw/zinc/68/57/00/1173685700.db2.gz DEGDOSVJRSCLOO-HOTGVXAUSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001671768422 1173711024 /nfs/dbraw/zinc/71/10/24/1173711024.db2.gz FDQQYWHPTFBRNR-QGZVFWFLSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001689019424 1175084536 /nfs/dbraw/zinc/08/45/36/1175084536.db2.gz UGLRGJPASVMSFK-RRFJBIMHSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001691831832 1175633380 /nfs/dbraw/zinc/63/33/80/1175633380.db2.gz TZLBKEPIQYOGFR-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH+]1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001691909668 1175650216 /nfs/dbraw/zinc/65/02/16/1175650216.db2.gz ZRUINPIIASMRKB-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001698938721 1175989531 /nfs/dbraw/zinc/98/95/31/1175989531.db2.gz NRWXXXRCNFVWIG-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001698990510 1176017573 /nfs/dbraw/zinc/01/75/73/1176017573.db2.gz GBUFPGWVLHRMHZ-UHFFFAOYSA-N 2 0 286.379 1.833 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC=C)CC1 ZINC001699160559 1176116915 /nfs/dbraw/zinc/11/69/15/1176116915.db2.gz SARTYKRNCDWNLQ-CQSZACIVSA-N 2 0 277.412 1.002 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001699384959 1176344595 /nfs/dbraw/zinc/34/45/95/1176344595.db2.gz WJSDPTKZYQWVQT-ZBFHGGJFSA-N 2 0 289.423 1.960 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@@H](F)CC)CC1 ZINC001699432893 1176395389 /nfs/dbraw/zinc/39/53/89/1176395389.db2.gz HBQUMXFILBRTPH-ZFWWWQNUSA-N 2 0 297.418 1.174 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001699734444 1176597718 /nfs/dbraw/zinc/59/77/18/1176597718.db2.gz NKYXZUYPNZSIOS-GJZGRUSLSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001699944138 1176691692 /nfs/dbraw/zinc/69/16/92/1176691692.db2.gz KUVRPXYSHNKSNC-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001700154203 1176775956 /nfs/dbraw/zinc/77/59/56/1176775956.db2.gz DOWVBCSBISWVAV-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C#CCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001700574040 1177020603 /nfs/dbraw/zinc/02/06/03/1177020603.db2.gz IYXHOFXGJUVNKU-AWEZNQCLSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001700948184 1177203528 /nfs/dbraw/zinc/20/35/28/1177203528.db2.gz UPEXXXOGRZWZMJ-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH+]1CCC(C2(NC(=O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC001701032505 1177247754 /nfs/dbraw/zinc/24/77/54/1177247754.db2.gz AUVDMXOTFKXSLM-UHFFFAOYSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001707066222 1177935738 /nfs/dbraw/zinc/93/57/38/1177935738.db2.gz QNFYLUBWRJKADF-APIJFGDWSA-N 2 0 279.428 1.387 10 30 CDEERP C#CCC[N@@H+](C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001707415690 1178030357 /nfs/dbraw/zinc/03/03/57/1178030357.db2.gz XKYONVYOGMEUER-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001713086489 1178359663 /nfs/dbraw/zinc/35/96/63/1178359663.db2.gz RRACXMLGTXBBSK-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001713121670 1178379509 /nfs/dbraw/zinc/37/95/09/1178379509.db2.gz MIWWWUGXOKUSCE-ZBFHGGJFSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001713166199 1178408262 /nfs/dbraw/zinc/40/82/62/1178408262.db2.gz LKZBFLXVVMTBKS-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001713175429 1178413888 /nfs/dbraw/zinc/41/38/88/1178413888.db2.gz BWPXJNARQYVROJ-RBSFLKMASA-N 2 0 277.412 1.121 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001713181940 1178415280 /nfs/dbraw/zinc/41/52/80/1178415280.db2.gz LHWWMYATULIMMT-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713202583 1178429823 /nfs/dbraw/zinc/42/98/23/1178429823.db2.gz JPUGFISSTTXOAZ-HRCADAONSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001713217601 1178437799 /nfs/dbraw/zinc/43/77/99/1178437799.db2.gz FQXAUJITIHBOQI-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001713220921 1178440580 /nfs/dbraw/zinc/44/05/80/1178440580.db2.gz VZELUMJLQWIHGO-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713238420 1178448093 /nfs/dbraw/zinc/44/80/93/1178448093.db2.gz HQVDZJQYVCZXCB-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001713256179 1178455854 /nfs/dbraw/zinc/45/58/54/1178455854.db2.gz BGWGWWRXLRLKCJ-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001713411296 1178545881 /nfs/dbraw/zinc/54/58/81/1178545881.db2.gz ATFDVXKDUVRQQD-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001713897134 1178827697 /nfs/dbraw/zinc/82/76/97/1178827697.db2.gz OKMBKBLUXDPYAQ-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001714004856 1178923472 /nfs/dbraw/zinc/92/34/72/1178923472.db2.gz XGLABXCGLQNAEO-KBPBESRZSA-N 2 0 285.407 1.385 10 30 CDEERP C=CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)n1ccnc1 ZINC001714114865 1178979359 /nfs/dbraw/zinc/97/93/59/1178979359.db2.gz ODBDWFVJFWRCAZ-GJZGRUSLSA-N 2 0 290.411 1.991 10 30 CDEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714121851 1178982931 /nfs/dbraw/zinc/98/29/31/1178982931.db2.gz CRPZRGDNAKDKDR-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001714277580 1179061748 /nfs/dbraw/zinc/06/17/48/1179061748.db2.gz BZVGAHFRCXIPRA-LSDHHAIUSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001714524136 1179181021 /nfs/dbraw/zinc/18/10/21/1179181021.db2.gz XUMPNEXQIRNTMC-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001714566342 1179221549 /nfs/dbraw/zinc/22/15/49/1179221549.db2.gz YSEQZBNSLJFCFW-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001714648826 1179297535 /nfs/dbraw/zinc/29/75/35/1179297535.db2.gz ORYKWNRNVQRRED-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001714798136 1179402911 /nfs/dbraw/zinc/40/29/11/1179402911.db2.gz QIMOKWUQCUAATA-UHFFFAOYSA-N 2 0 255.406 1.341 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001715056831 1179532609 /nfs/dbraw/zinc/53/26/09/1179532609.db2.gz KVZQVXLRDHPWHZ-SOUVJXGZSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001715939249 1179929961 /nfs/dbraw/zinc/92/99/61/1179929961.db2.gz TZAYKVUIEKLEIA-CYBMUJFWSA-N 2 0 265.401 1.285 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001715985690 1179964960 /nfs/dbraw/zinc/96/49/60/1179964960.db2.gz ZWQABZQKUDHVSR-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001716395864 1180184305 /nfs/dbraw/zinc/18/43/05/1180184305.db2.gz VKKQCKYXOBLUTN-QLFBSQMISA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001716496632 1180252643 /nfs/dbraw/zinc/25/26/43/1180252643.db2.gz ZMMNFJTZQHJJKH-CQSZACIVSA-N 2 0 283.460 1.977 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001716671610 1180355900 /nfs/dbraw/zinc/35/59/00/1180355900.db2.gz QZVVHSVOWLBAPJ-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001716681385 1180366707 /nfs/dbraw/zinc/36/67/07/1180366707.db2.gz NREDRSDZFZCDLG-AWEZNQCLSA-N 2 0 279.428 1.674 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001716696615 1180375673 /nfs/dbraw/zinc/37/56/73/1180375673.db2.gz PUFLNLUKZABWPP-CABCVRRESA-N 2 0 291.439 1.818 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001716824591 1180425771 /nfs/dbraw/zinc/42/57/71/1180425771.db2.gz GUTAONWABSPGMS-MRXNPFEDSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001716887416 1180453270 /nfs/dbraw/zinc/45/32/70/1180453270.db2.gz LZCZEQCOHMNGBW-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001717336452 1180621294 /nfs/dbraw/zinc/62/12/94/1180621294.db2.gz FTJLJGQWPLPFKZ-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001717388113 1180642876 /nfs/dbraw/zinc/64/28/76/1180642876.db2.gz MPQCYQDFRWLFLO-JXQTWKCFSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH]cn1 ZINC001717412675 1180659514 /nfs/dbraw/zinc/65/95/14/1180659514.db2.gz JSRDNIFUCSPYGM-GHMZBOCLSA-N 2 0 250.346 1.011 10 30 CDEERP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001717458863 1180680132 /nfs/dbraw/zinc/68/01/32/1180680132.db2.gz HXJNPVFNTCZCLS-HNNXBMFYSA-N 2 0 295.471 1.979 10 30 CDEERP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001717601534 1180755101 /nfs/dbraw/zinc/75/51/01/1180755101.db2.gz XHUFJIJYFROJGU-YHUYYLMFSA-N 2 0 291.439 1.198 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001717972238 1180952569 /nfs/dbraw/zinc/95/25/69/1180952569.db2.gz CHEIXXUKSZCMAV-KBPBESRZSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1CC ZINC001723384345 1181546326 /nfs/dbraw/zinc/54/63/26/1181546326.db2.gz ICWRCNOISDWKLJ-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001723545212 1181584870 /nfs/dbraw/zinc/58/48/70/1181584870.db2.gz RRQXDYALOAUYRZ-UHFFFAOYSA-N 2 0 279.428 1.675 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001724077846 1181633590 /nfs/dbraw/zinc/63/35/90/1181633590.db2.gz RNANDKOLBWHRQZ-HOTGVXAUSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001724245830 1181658410 /nfs/dbraw/zinc/65/84/10/1181658410.db2.gz WJOQWDVFQKSAAT-WBVHZDCISA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001724307110 1181661849 /nfs/dbraw/zinc/66/18/49/1181661849.db2.gz RVJMCLMXAHLAEN-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001724564030 1181694977 /nfs/dbraw/zinc/69/49/77/1181694977.db2.gz PTNVYFPJQLDYCW-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001724856669 1181778401 /nfs/dbraw/zinc/77/84/01/1181778401.db2.gz GMIQVNOHJCWBDU-INIZCTEOSA-N 2 0 293.455 1.663 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001725124661 1181874173 /nfs/dbraw/zinc/87/41/73/1181874173.db2.gz YLRUKOZRWVJINW-UONOGXRCSA-N 2 0 297.443 1.156 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001725142739 1181881238 /nfs/dbraw/zinc/88/12/38/1181881238.db2.gz ISSURDBBAGWAJM-CQSZACIVSA-N 2 0 281.444 1.424 10 30 CDEERP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001725238969 1181932531 /nfs/dbraw/zinc/93/25/31/1181932531.db2.gz ISCACLKDKPJNNJ-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001725383551 1181982549 /nfs/dbraw/zinc/98/25/49/1181982549.db2.gz BLGTZTWZYGAZET-CABCVRRESA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001725612529 1182072168 /nfs/dbraw/zinc/07/21/68/1182072168.db2.gz XWJQSYGLVGJBLZ-RHSMWYFYSA-N 2 0 291.439 1.627 10 30 CDEERP C=CC[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001725733874 1182115191 /nfs/dbraw/zinc/11/51/91/1182115191.db2.gz UZXVAYWAQYYIPJ-CQSZACIVSA-N 2 0 267.417 1.293 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731241240 1182271329 /nfs/dbraw/zinc/27/13/29/1182271329.db2.gz PJJBAOFFRYUUGK-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001731351274 1182332776 /nfs/dbraw/zinc/33/27/76/1182332776.db2.gz XPURUZPRXSGPJC-UHFFFAOYSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001731516774 1182432026 /nfs/dbraw/zinc/43/20/26/1182432026.db2.gz ZEKDTJRRGYCXBO-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001731876266 1182646200 /nfs/dbraw/zinc/64/62/00/1182646200.db2.gz GKPUOQBBDNWBSE-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001732081684 1182756535 /nfs/dbraw/zinc/75/65/35/1182756535.db2.gz ADTIGGGWCANCSE-OAHLLOKOSA-N 2 0 279.428 1.439 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001732203609 1182854488 /nfs/dbraw/zinc/85/44/88/1182854488.db2.gz QCIOFJRXABWGCP-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001732325376 1182905804 /nfs/dbraw/zinc/90/58/04/1182905804.db2.gz QOUBKZYFKCLQPK-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001732438253 1182954000 /nfs/dbraw/zinc/95/40/00/1182954000.db2.gz VPWHKIJSHAFMKJ-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001732773814 1183120741 /nfs/dbraw/zinc/12/07/41/1183120741.db2.gz GBSPTUJDQUTYFK-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001733123774 1183299097 /nfs/dbraw/zinc/29/90/97/1183299097.db2.gz NIUBHERCMHJETQ-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001733146838 1183307236 /nfs/dbraw/zinc/30/72/36/1183307236.db2.gz PYVJDBGCLIKKOJ-UHFFFAOYSA-N 2 0 287.407 1.433 10 30 CDEERP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001733296679 1183381549 /nfs/dbraw/zinc/38/15/49/1183381549.db2.gz JGYYZGUMUNQGPX-KRWDZBQOSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001733675618 1183494563 /nfs/dbraw/zinc/49/45/63/1183494563.db2.gz GVYPHFWVZYGHHO-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001733877568 1183557462 /nfs/dbraw/zinc/55/74/62/1183557462.db2.gz ZQNJCGQMXWYAFQ-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001733935320 1183574884 /nfs/dbraw/zinc/57/48/84/1183574884.db2.gz FKLUMRLTKWVIFY-MRXNPFEDSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001734018372 1183615361 /nfs/dbraw/zinc/61/53/61/1183615361.db2.gz PQWJSILGRPOPGC-HUUCEWRRSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001734328573 1183734838 /nfs/dbraw/zinc/73/48/38/1183734838.db2.gz YEGYULVUNGECHV-QLFBSQMISA-N 2 0 281.444 1.729 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CCC)CC[NH+](C)C ZINC000876939539 728476983 /nfs/dbraw/zinc/47/69/83/728476983.db2.gz HELMADABOLGLPY-LLVKDONJSA-N 2 0 261.797 1.257 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000855165436 728993140 /nfs/dbraw/zinc/99/31/40/728993140.db2.gz UZWLONWLXMTJQR-GFCCVEGCSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000876738093 729045341 /nfs/dbraw/zinc/04/53/41/729045341.db2.gz ZGLHRYQNYRAVLK-DRZSPHRISA-N 2 0 287.835 1.693 10 30 CDEERP CC[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261778192 729342494 /nfs/dbraw/zinc/34/24/94/729342494.db2.gz OWRKICXILIHTCC-CDGCEXEKSA-N 2 0 264.417 1.433 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1CCC ZINC000876798485 729392517 /nfs/dbraw/zinc/39/25/17/729392517.db2.gz ZUKCLDRJYLWYLP-WDEREUQCSA-N 2 0 259.781 1.057 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000852860341 729463978 /nfs/dbraw/zinc/46/39/78/729463978.db2.gz CCWCIOVGBMIYRP-MRXNPFEDSA-N 2 0 289.423 1.076 10 30 CDEERP N#Cc1cc(C[NH2+]CCCC[NH+]2CCOCC2)cs1 ZINC000921536127 729829025 /nfs/dbraw/zinc/82/90/25/729829025.db2.gz HDRJVJWNUXNCAY-UHFFFAOYSA-N 2 0 279.409 1.822 10 30 CDEERP C#CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000878362748 729960756 /nfs/dbraw/zinc/96/07/56/729960756.db2.gz GTWVUJSOACCMJA-KRWDZBQOSA-N 2 0 299.418 1.551 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000876539464 730000958 /nfs/dbraw/zinc/00/09/58/730000958.db2.gz HJPXWKCMHFCMLA-GWCFXTLKSA-N 2 0 281.787 1.792 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000876707877 730366230 /nfs/dbraw/zinc/36/62/30/730366230.db2.gz DGMZUFVKBRKDTL-QWRGUYRKSA-N 2 0 259.781 1.057 10 30 CDEERP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[C@@H]1C[NH3+] ZINC000923494123 730385981 /nfs/dbraw/zinc/38/59/81/730385981.db2.gz VWLSTVOOFWIYBL-DAXOMENPSA-N 2 0 273.380 1.508 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001569171450 1167552920 /nfs/dbraw/zinc/55/29/20/1167552920.db2.gz WKFORLHXGVLTNV-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001409469048 910418373 /nfs/dbraw/zinc/41/83/73/910418373.db2.gz NXPOFUJUSBJYOP-NEPJUHHUSA-N 2 0 273.808 1.318 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001565864403 1168189887 /nfs/dbraw/zinc/18/98/87/1168189887.db2.gz RLTXTODIPPKHKT-JYJNAYRXSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001567153203 1168598830 /nfs/dbraw/zinc/59/88/30/1168598830.db2.gz JPYRNFAQFSPPRY-OAHLLOKOSA-N 2 0 279.428 1.487 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001567178059 1168606915 /nfs/dbraw/zinc/60/69/15/1168606915.db2.gz JKVAAVAVRIAFAU-HUUCEWRRSA-N 2 0 279.428 1.367 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001567354188 1168698439 /nfs/dbraw/zinc/69/84/39/1168698439.db2.gz UGVVLFKBOWWUGY-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001266468223 894995969 /nfs/dbraw/zinc/99/59/69/894995969.db2.gz MIBRRRZIUKTVQT-OAHLLOKOSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266617297 895596392 /nfs/dbraw/zinc/59/63/92/895596392.db2.gz DBGDJSPOENRHBT-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001266897510 896298716 /nfs/dbraw/zinc/29/87/16/896298716.db2.gz NOYJMWCJZPMXLH-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001266964747 896457048 /nfs/dbraw/zinc/45/70/48/896457048.db2.gz NZUYEAOUNKIWQR-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001267233360 897246767 /nfs/dbraw/zinc/24/67/67/897246767.db2.gz SMSFQAPRPMYLHZ-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001267243032 897304052 /nfs/dbraw/zinc/30/40/52/897304052.db2.gz HSBDYUCMMVYDFC-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001481120742 898929513 /nfs/dbraw/zinc/92/95/13/898929513.db2.gz KCMJZKKRFLPGHP-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001481126600 898940589 /nfs/dbraw/zinc/94/05/89/898940589.db2.gz LIQBMOSMBKVLRG-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP CC#CC[NH2+]C[C@@](C)(NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001267857557 899881138 /nfs/dbraw/zinc/88/11/38/899881138.db2.gz BOADHYDOQDQSIH-WMLDXEAASA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267989056 900205030 /nfs/dbraw/zinc/20/50/30/900205030.db2.gz FAZVQUUSPPSUSV-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001268427336 902041075 /nfs/dbraw/zinc/04/10/75/902041075.db2.gz WABLLOZXBXJHFC-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001567776661 1168962684 /nfs/dbraw/zinc/96/26/84/1168962684.db2.gz JACQFZXPJVGGJF-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001481847958 902214315 /nfs/dbraw/zinc/21/43/15/902214315.db2.gz JSJPDSZQARDDKN-ZIAGYGMSSA-N 2 0 267.417 1.080 10 30 CDEERP C=CC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001270035557 904292621 /nfs/dbraw/zinc/29/26/21/904292621.db2.gz BOJOMMMUWNNNBG-SHTZXODSSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001500357915 904660657 /nfs/dbraw/zinc/66/06/57/904660657.db2.gz IENSWJTVZJRNES-WBVHZDCISA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482304686 904844447 /nfs/dbraw/zinc/84/44/47/904844447.db2.gz RMCRHUHNAHEZDT-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001270650591 904883958 /nfs/dbraw/zinc/88/39/58/904883958.db2.gz WUJYCUHOAMEZQB-GOEBONIOSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001270745263 905011189 /nfs/dbraw/zinc/01/11/89/905011189.db2.gz XUDBLFIIEXXYGN-RDJZCZTQSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482343410 905133031 /nfs/dbraw/zinc/13/30/31/905133031.db2.gz PQQFSDZIDWCKIQ-AWEZNQCLSA-N 2 0 287.407 1.432 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001271510459 906489335 /nfs/dbraw/zinc/48/93/35/906489335.db2.gz WUQZVVILVAZBNU-LSDHHAIUSA-N 2 0 289.423 1.075 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001271600929 906538576 /nfs/dbraw/zinc/53/85/76/906538576.db2.gz VHZSURILQIILIZ-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001271676577 906587780 /nfs/dbraw/zinc/58/77/80/906587780.db2.gz JADCJSPRCKKTSC-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001271880738 906930525 /nfs/dbraw/zinc/93/05/25/906930525.db2.gz XPBDKNXZJLSEJK-XHSDSOJGSA-N 2 0 293.455 1.683 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001505456249 906996982 /nfs/dbraw/zinc/99/69/82/906996982.db2.gz QQSRZIZAKUSMHF-LSDHHAIUSA-N 2 0 279.428 1.273 10 30 CDEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001567953054 1169090094 /nfs/dbraw/zinc/09/00/94/1169090094.db2.gz PIUYWRBFDVMAKN-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1CC ZINC001483623317 911828248 /nfs/dbraw/zinc/82/82/48/911828248.db2.gz IHCKFJQFNVBEEB-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001484068952 915401345 /nfs/dbraw/zinc/40/13/45/915401345.db2.gz WCRAYBHKPADOPW-OAHLLOKOSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001484123161 915446121 /nfs/dbraw/zinc/44/61/21/915446121.db2.gz XLCZMWASFUKLCQ-WBVHZDCISA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484526670 915849933 /nfs/dbraw/zinc/84/99/33/915849933.db2.gz YUESJLNRJGQICT-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001485666592 917160134 /nfs/dbraw/zinc/16/01/34/917160134.db2.gz PWMFTMSBWIRFHC-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001139869519 936654697 /nfs/dbraw/zinc/65/46/97/936654697.db2.gz JPIKZEKXGSIFFK-UHFFFAOYSA-N 2 0 279.428 1.581 10 30 CDEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001485918830 920576267 /nfs/dbraw/zinc/57/62/67/920576267.db2.gz IOWNITBRSPLXTJ-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486084380 920685419 /nfs/dbraw/zinc/68/54/19/920685419.db2.gz JQPQBYOJWAERJC-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001273646099 923248860 /nfs/dbraw/zinc/24/88/60/923248860.db2.gz SDFDZAAGLLHGNA-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491051076 936846795 /nfs/dbraw/zinc/84/67/95/936846795.db2.gz RQCYPJWYGCXCON-MELADBBJSA-N 2 0 267.417 1.530 10 30 CDEERP C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000923388512 923802387 /nfs/dbraw/zinc/80/23/87/923802387.db2.gz RHRUOVVHMQKLCS-QKPAOTATSA-N 2 0 282.428 1.674 10 30 CDEERP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001491225952 936879869 /nfs/dbraw/zinc/87/98/69/936879869.db2.gz RQVIBZVNTQRWLD-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001493063236 927034869 /nfs/dbraw/zinc/03/48/69/927034869.db2.gz NPQPGMVEKGPNTO-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)CCC)CC1 ZINC001490422906 927170390 /nfs/dbraw/zinc/17/03/90/927170390.db2.gz XJHPUQGJWDBKPV-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001490560514 927230578 /nfs/dbraw/zinc/23/05/78/927230578.db2.gz GXMREDFKGJIDFJ-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001568516137 1169342056 /nfs/dbraw/zinc/34/20/56/1169342056.db2.gz UCBODFGRVDBQLA-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277149105 942053445 /nfs/dbraw/zinc/05/34/45/942053445.db2.gz ZGCAAKXITDLKKK-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001282402909 942707239 /nfs/dbraw/zinc/70/72/39/942707239.db2.gz RJIIQUUMYGGAOT-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001282956757 942789608 /nfs/dbraw/zinc/78/96/08/942789608.db2.gz BCYIDZSXMVOIGJ-XHSDSOJGSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001283552142 942930857 /nfs/dbraw/zinc/93/08/57/942930857.db2.gz BPHFDTPWZGHGBD-UONOGXRCSA-N 2 0 267.417 1.339 10 30 CDEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001283552877 942931343 /nfs/dbraw/zinc/93/13/43/942931343.db2.gz JLULEVIGSOGQPY-HNNXBMFYSA-N 2 0 291.439 1.485 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001284003912 943045594 /nfs/dbraw/zinc/04/55/94/943045594.db2.gz MVKBQQKZGIJQND-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001284070358 943066356 /nfs/dbraw/zinc/06/63/56/943066356.db2.gz SUPFOXQPKPXFRT-PBHICJAKSA-N 2 0 289.423 1.075 10 30 CDEERP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001284790572 943260619 /nfs/dbraw/zinc/26/06/19/943260619.db2.gz XCTCGDPGPUHUIH-RUXDESIVSA-N 2 0 267.417 1.482 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001277686742 943335740 /nfs/dbraw/zinc/33/57/40/943335740.db2.gz QUHAQJDWRBLOSJ-HIFRSBDPSA-N 2 0 281.444 1.824 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001277893621 943952255 /nfs/dbraw/zinc/95/22/55/943952255.db2.gz NTZFAAOTMGNASN-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001264175497 944093878 /nfs/dbraw/zinc/09/38/78/944093878.db2.gz MLCWPNAWBWBHJE-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001265116223 944235481 /nfs/dbraw/zinc/23/54/81/944235481.db2.gz PATGZRVSMBKALJ-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001265397359 944373483 /nfs/dbraw/zinc/37/34/83/944373483.db2.gz XGLIPZVHCHEUGU-OAHLLOKOSA-N 2 0 279.428 1.132 10 30 CDEERP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001265655911 944458181 /nfs/dbraw/zinc/45/81/81/944458181.db2.gz RQWIDGSWOSAQRI-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001265655991 944459306 /nfs/dbraw/zinc/45/93/06/944459306.db2.gz UDKJUMMIKFIKTQ-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001265826692 944528423 /nfs/dbraw/zinc/52/84/23/944528423.db2.gz JOKZKCPXMKLCRS-OIISXLGYSA-N 2 0 299.418 1.059 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266144513 944713074 /nfs/dbraw/zinc/71/30/74/944713074.db2.gz UBASNSBTJWWINO-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001266195646 944746007 /nfs/dbraw/zinc/74/60/07/944746007.db2.gz XREPJKQKEFAVGO-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001278419994 947837230 /nfs/dbraw/zinc/83/72/30/947837230.db2.gz JLNZWOXGICJQIJ-CQSZACIVSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001479833349 971442129 /nfs/dbraw/zinc/44/21/29/971442129.db2.gz XVYCBQWSCFUOKI-JKSUJKDBSA-N 2 0 293.455 1.709 10 30 CDEERP C=CCC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001480324076 971671716 /nfs/dbraw/zinc/67/17/16/971671716.db2.gz FGAYYJSINLULBY-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001569099145 1169643980 /nfs/dbraw/zinc/64/39/80/1169643980.db2.gz RZBSTXROLSNOFJ-AWEZNQCLSA-N 2 0 287.407 1.479 10 30 CDEERP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCC)CC1 ZINC001324414274 953378050 /nfs/dbraw/zinc/37/80/50/953378050.db2.gz VMKARUIDXMYJED-MRXNPFEDSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001325629228 953995167 /nfs/dbraw/zinc/99/51/67/953995167.db2.gz JZNRFMVKDVIWNX-MUJYYYPQSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001325920731 954141895 /nfs/dbraw/zinc/14/18/95/954141895.db2.gz MBNRJSKYCJXDTA-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001491599580 955308252 /nfs/dbraw/zinc/30/82/52/955308252.db2.gz ADBBNJOOYPRCGZ-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001493612383 972089118 /nfs/dbraw/zinc/08/91/18/972089118.db2.gz CFHYMPDYOFWMGF-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001328960910 955583133 /nfs/dbraw/zinc/58/31/33/955583133.db2.gz JTQAADHHPTVXSE-NRXISQOPSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001494140665 972185409 /nfs/dbraw/zinc/18/54/09/972185409.db2.gz JFLXOELFCJJSRD-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP CC#CC[N@H+](C)C1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001331074733 956802222 /nfs/dbraw/zinc/80/22/22/956802222.db2.gz MRDVAQNWQSPHGG-UHFFFAOYSA-N 2 0 288.395 1.138 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001569254109 1169738842 /nfs/dbraw/zinc/73/88/42/1169738842.db2.gz FCCLWLWMHDYMJV-UHFFFAOYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001316771673 957008554 /nfs/dbraw/zinc/00/85/54/957008554.db2.gz LRSJSSOEUFZTQS-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001316809280 957031807 /nfs/dbraw/zinc/03/18/07/957031807.db2.gz BJPMJXCOOGHPBX-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001331529631 957122286 /nfs/dbraw/zinc/12/22/86/957122286.db2.gz LTCBLAPSUZXXGH-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001317214738 957348653 /nfs/dbraw/zinc/34/86/53/957348653.db2.gz GPQLGJMSEQFWJL-NRXISQOPSA-N 2 0 279.428 1.674 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001332322694 957517501 /nfs/dbraw/zinc/51/75/01/957517501.db2.gz NCHHRGNVGDVXGZ-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317532535 957533588 /nfs/dbraw/zinc/53/35/88/957533588.db2.gz LOFQPFJIZNGQFP-CVEARBPZSA-N 2 0 295.471 1.977 10 30 CDEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001317678530 957636584 /nfs/dbraw/zinc/63/65/84/957636584.db2.gz FOZIJZYHAXYJFJ-GDBMZVCRSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001317861534 957696739 /nfs/dbraw/zinc/69/67/39/957696739.db2.gz BUDVWKDLJAENMR-MRXNPFEDSA-N 2 0 291.439 1.276 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001318356194 958052917 /nfs/dbraw/zinc/05/29/17/958052917.db2.gz VQCDMURXOQMAKC-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCOCC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001494877697 972328513 /nfs/dbraw/zinc/32/85/13/972328513.db2.gz XBUONYPMWXJPMZ-OAHLLOKOSA-N 2 0 297.443 1.062 10 30 CDEERP CC#CC[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)CCC)C1CC1 ZINC001318726645 958246830 /nfs/dbraw/zinc/24/68/30/958246830.db2.gz AEUCLRCEIJRBLR-INIZCTEOSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001494925596 972337520 /nfs/dbraw/zinc/33/75/20/972337520.db2.gz RSZZBNQRGKPSGD-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C#CC[NH+]1CC=C(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001333433598 958332591 /nfs/dbraw/zinc/33/25/91/958332591.db2.gz UWEOZMJIHXSBGM-UHFFFAOYSA-N 2 0 277.412 1.100 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001319476006 958584992 /nfs/dbraw/zinc/58/49/92/958584992.db2.gz MREHLGBMDZQNPM-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001319697775 958691579 /nfs/dbraw/zinc/69/15/79/958691579.db2.gz WBIISTIXZJRLFF-HOCLYGCPSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320464423 959188575 /nfs/dbraw/zinc/18/85/75/959188575.db2.gz ODGPJMGIMMFEID-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001321120043 959606035 /nfs/dbraw/zinc/60/60/35/959606035.db2.gz DLHPJNBSTRFNOS-LLYBFZRZSA-N 2 0 279.428 1.699 10 30 CDEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001495278592 972463034 /nfs/dbraw/zinc/46/30/34/972463034.db2.gz WWOTUUCWDXOCRY-WMLDXEAASA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCCC=C)CC1 ZINC001321755869 959932313 /nfs/dbraw/zinc/93/23/13/959932313.db2.gz HTFRGBXIMYNWKO-OAHLLOKOSA-N 2 0 291.439 1.392 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001322998440 960398827 /nfs/dbraw/zinc/39/88/27/960398827.db2.gz AHRFXNLOCFLPKB-HRCADAONSA-N 2 0 291.439 1.224 10 30 CDEERP C#CCC[C@H](O)C[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001560991738 961045404 /nfs/dbraw/zinc/04/54/04/961045404.db2.gz PUKBHLYHUBZILK-CGZBRXJRSA-N 2 0 294.439 1.384 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001419816946 962129031 /nfs/dbraw/zinc/12/90/31/962129031.db2.gz QBMQBFVZEWQLPG-RYUDHWBXSA-N 2 0 273.808 1.318 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001540797935 967172436 /nfs/dbraw/zinc/17/24/36/967172436.db2.gz KLUYSOOZTVTAHZ-GXTWGEPZSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001569553684 1169921577 /nfs/dbraw/zinc/92/15/77/1169921577.db2.gz WTPSRMXLEGJWMN-JYJNAYRXSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1 ZINC001528459078 968856468 /nfs/dbraw/zinc/85/64/68/968856468.db2.gz ZVNNRRKNMNNDDN-ARFHVFGLSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001496453142 972925569 /nfs/dbraw/zinc/92/55/69/972925569.db2.gz XPLOZKYFEHSUFA-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001497675751 973461570 /nfs/dbraw/zinc/46/15/70/973461570.db2.gz SUSWDFQYGPPPQD-SNAWJCMRSA-N 2 0 265.401 1.166 10 30 CDEERP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001569723465 1169975954 /nfs/dbraw/zinc/97/59/54/1169975954.db2.gz VQYMYGDSDTZLRJ-RDJZCZTQSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001499935896 974339463 /nfs/dbraw/zinc/33/94/63/974339463.db2.gz PTVGWTYLACFDAF-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001501081174 974529358 /nfs/dbraw/zinc/52/93/58/974529358.db2.gz ZEMRXWUQZBRFHY-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001501080390 974529772 /nfs/dbraw/zinc/52/97/72/974529772.db2.gz OGFYDGHRIZLSNY-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001502029388 974677202 /nfs/dbraw/zinc/67/72/02/974677202.db2.gz WIGSQBKYFIHQBY-OKILXGFUSA-N 2 0 279.428 1.674 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001502810014 974788767 /nfs/dbraw/zinc/78/87/67/974788767.db2.gz SPTIXTRXSXAJDJ-GASCZTMLSA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001506936896 975266054 /nfs/dbraw/zinc/26/60/54/975266054.db2.gz WUSMSEURWYBVQM-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001508156740 975625696 /nfs/dbraw/zinc/62/56/96/975625696.db2.gz ZULJINYRRFDJQV-UHFFFAOYSA-N 2 0 267.417 1.482 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001508230140 975646955 /nfs/dbraw/zinc/64/69/55/975646955.db2.gz QUWGDELFEVXVPR-OAHLLOKOSA-N 2 0 279.428 1.507 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001380406745 976410603 /nfs/dbraw/zinc/41/06/03/976410603.db2.gz XANKFKRNOAVRRO-DZGCQCFKSA-N 2 0 299.846 1.661 10 30 CDEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001675141158 1174079125 /nfs/dbraw/zinc/07/91/25/1174079125.db2.gz VPZVGGYTQQGBQA-HOTGVXAUSA-N 2 0 295.471 1.813 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001676351419 1174212527 /nfs/dbraw/zinc/21/25/27/1174212527.db2.gz QSAVPJWDLZWSIS-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001676461517 1174228309 /nfs/dbraw/zinc/22/83/09/1174228309.db2.gz MHRVQSMFBBCDIY-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001677280849 1174345552 /nfs/dbraw/zinc/34/55/52/1174345552.db2.gz AEYWEXIWRYNHCH-OAHLLOKOSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001571257623 1170355469 /nfs/dbraw/zinc/35/54/69/1170355469.db2.gz QFDSZTGSGNTAIM-HOCLYGCPSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1(C)C ZINC001571558350 1170477903 /nfs/dbraw/zinc/47/79/03/1170477903.db2.gz ICDRTDHYTCBPIR-UONOGXRCSA-N 2 0 299.434 1.679 10 30 CDEERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594438187 342906173 /nfs/dbraw/zinc/90/61/73/342906173.db2.gz RECYTKGXHSZRRN-MGPQQGTHSA-N 2 0 280.416 1.196 10 30 CDEERP CCC[NH+]1CCC(CNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594440449 342907061 /nfs/dbraw/zinc/90/70/61/342907061.db2.gz CKNLSVRZFRSNQL-OAHLLOKOSA-N 2 0 294.443 1.636 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000594443059 342907728 /nfs/dbraw/zinc/90/77/28/342907728.db2.gz ZJIRISLDUJNJPQ-CQSZACIVSA-N 2 0 292.427 1.390 10 30 CDEERP N#CC1(C[C@@H](O)C[NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000600716506 342244328 /nfs/dbraw/zinc/24/43/28/342244328.db2.gz YEARBSJXPSMXMZ-CQSZACIVSA-N 2 0 265.401 1.507 10 30 CDEERP C[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)C[NH+]1CCCCC1 ZINC000600722219 342244827 /nfs/dbraw/zinc/24/48/27/342244827.db2.gz ZNFYRMLLODPDHJ-GJZGRUSLSA-N 2 0 279.428 1.753 10 30 CDEERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594425153 342904402 /nfs/dbraw/zinc/90/44/02/342904402.db2.gz KDWKYKXQVHOKGI-AVGNSLFASA-N 2 0 266.389 1.126 10 30 CDEERP CN(CCC[NH+](C)C)CCNc1ncccc1C#N ZINC000596424270 343311696 /nfs/dbraw/zinc/31/16/96/343311696.db2.gz FICRCMDHTHKQGG-UHFFFAOYSA-N 2 0 261.373 1.249 10 30 CDEERP C#CCC[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001660321133 1172195167 /nfs/dbraw/zinc/19/51/67/1172195167.db2.gz BNENDBHHBTVLRG-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCNC(=[NH+]CC(C)(C)C[NH+](C)C)N1CCOCC1 ZINC000072272399 356717447 /nfs/dbraw/zinc/71/74/47/356717447.db2.gz FIVVABKCNGFVEB-UHFFFAOYSA-N 2 0 282.432 1.038 10 30 CDEERP CCCNC(=[NH2+])NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000304781860 370789620 /nfs/dbraw/zinc/78/96/20/370789620.db2.gz GMVQIOJYJBAWOB-UHFFFAOYSA-N 2 0 295.475 1.251 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001663537031 1172718561 /nfs/dbraw/zinc/71/85/61/1172718561.db2.gz JDVCKTMXOPPLEG-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001663633469 1172737829 /nfs/dbraw/zinc/73/78/29/1172737829.db2.gz GHAPDVSZXNBTKM-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001664394777 1172849163 /nfs/dbraw/zinc/84/91/63/1172849163.db2.gz HLKMJSGUSHGKBL-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000662691265 413323762 /nfs/dbraw/zinc/32/37/62/413323762.db2.gz IPTGKPWKVBQEGP-DOTOQJQBSA-N 2 0 291.439 1.772 10 30 CDEERP C=CC[C@@]1(C(=O)NCCC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662699102 413335527 /nfs/dbraw/zinc/33/55/27/413335527.db2.gz XLXVJVMMGNDLDN-INIZCTEOSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662754961 413437368 /nfs/dbraw/zinc/43/73/68/413437368.db2.gz WLLKTMXWWMSFEN-DVOMOZLQSA-N 2 0 277.412 1.426 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000662781677 413488819 /nfs/dbraw/zinc/48/88/19/413488819.db2.gz XZKXNPPUAKUHHG-NVXWUHKLSA-N 2 0 291.439 1.533 10 30 CDEERP COCC[N@H+](Cc1sccc1C#CC[NH3+])[C@H](C)COC ZINC000043684205 175093341 /nfs/dbraw/zinc/09/33/41/175093341.db2.gz BOSNXTDTJWOPGV-CYBMUJFWSA-N 2 0 296.436 1.542 10 30 CDEERP [NH3+]CC#Cc1csc(C[NH+]2CCC(O)CC2)c1 ZINC000043688833 175095707 /nfs/dbraw/zinc/09/57/07/175095707.db2.gz LZPFPMBVIHAVAH-UHFFFAOYSA-N 2 0 250.367 1.015 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001667007450 1173220656 /nfs/dbraw/zinc/22/06/56/1173220656.db2.gz AZRFNPUSKZOBCP-HUUCEWRRSA-N 2 0 279.428 1.319 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652147620 423959529 /nfs/dbraw/zinc/95/95/29/423959529.db2.gz YQYCDPMRIGSPNB-UHFFFAOYSA-N 2 0 280.416 1.065 10 30 CDEERP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001672531584 1173781406 /nfs/dbraw/zinc/78/14/06/1173781406.db2.gz XATBSVGWLPZCFG-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267114475 1159127359 /nfs/dbraw/zinc/12/73/59/1159127359.db2.gz GJOSLJNWNQFNPS-MRXNPFEDSA-N 2 0 291.439 1.418 10 30 CDEERP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NC1CC1 ZINC000262778282 330030893 /nfs/dbraw/zinc/03/08/93/330030893.db2.gz IOOLJJZWNKIZQJ-AWEZNQCLSA-N 2 0 264.417 1.850 10 30 CDEERP N#CC1(C[C@@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000528402254 330282497 /nfs/dbraw/zinc/28/24/97/330282497.db2.gz FVSOAMRSZMFGJM-OAHLLOKOSA-N 2 0 286.379 1.258 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001691481765 1159376197 /nfs/dbraw/zinc/37/61/97/1159376197.db2.gz TWABETSMENIQDW-XHSDSOJGSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001700189614 1176790603 /nfs/dbraw/zinc/79/06/03/1176790603.db2.gz PTWCJJAEILZFBD-GJZGRUSLSA-N 2 0 281.444 1.683 10 30 CDEERP C[C@H]1OCC[C@]1(C)[NH2+]CC#CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000671243783 483198209 /nfs/dbraw/zinc/19/82/09/483198209.db2.gz YPTWHZWAOXZUFB-FZKCQIBNSA-N 2 0 280.412 1.304 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001691623598 1160721126 /nfs/dbraw/zinc/72/11/26/1160721126.db2.gz CHHPBAVYLZZDLQ-GOEBONIOSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]CC)CC1 ZINC001485751530 1161284949 /nfs/dbraw/zinc/28/49/49/1161284949.db2.gz OAXGTOHQWJAIMC-CQSZACIVSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001691661439 1161442358 /nfs/dbraw/zinc/44/23/58/1161442358.db2.gz TWXPOTZECDIDSH-HZPDHXFCSA-N 2 0 293.455 1.663 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001714879956 1179435246 /nfs/dbraw/zinc/43/52/46/1179435246.db2.gz KSHODJAQNDXBIT-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001689184440 1175107303 /nfs/dbraw/zinc/10/73/03/1175107303.db2.gz DVNUGMOBJWCHRF-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941221620 613537117 /nfs/dbraw/zinc/53/71/17/613537117.db2.gz YXJGOJLJZIENRC-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000895712669 619809898 /nfs/dbraw/zinc/80/98/98/619809898.db2.gz CMTYGAIXYBNSHX-CQSZACIVSA-N 2 0 270.417 1.138 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000907778948 627832283 /nfs/dbraw/zinc/83/22/83/627832283.db2.gz ULQVFQGTXOZHPB-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000912306723 629916771 /nfs/dbraw/zinc/91/67/71/629916771.db2.gz MLLTXBWQCUBHKO-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1csc(C#N)c1 ZINC000921705361 633216728 /nfs/dbraw/zinc/21/67/28/633216728.db2.gz UBPMAZOFKQFJET-GFCCVEGCSA-N 2 0 278.425 1.345 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001724798230 1158748122 /nfs/dbraw/zinc/74/81/22/1158748122.db2.gz GFVDSMUBYOMJFI-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001699440878 1159643094 /nfs/dbraw/zinc/64/30/94/1159643094.db2.gz HSOFFROPCRWHFY-CABCVRRESA-N 2 0 279.428 1.319 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001565878309 1168195268 /nfs/dbraw/zinc/19/52/68/1168195268.db2.gz PHEPTHZNFTUXTK-WKILWMFISA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001566714258 1168398365 /nfs/dbraw/zinc/39/83/65/1168398365.db2.gz JGNDZOQRKWVAED-CABCVRRESA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001566893489 1168458714 /nfs/dbraw/zinc/45/87/14/1168458714.db2.gz IWSDPBFORGSZOU-GDBMZVCRSA-N 2 0 291.439 1.342 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001567096771 1168560383 /nfs/dbraw/zinc/56/03/83/1168560383.db2.gz QWTIEMDFPQTIHS-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001570634648 1170217356 /nfs/dbraw/zinc/21/73/56/1170217356.db2.gz XGJSCBLQMJTVAQ-CHWSQXEVSA-N 2 0 267.417 1.080 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001656369689 1171813404 /nfs/dbraw/zinc/81/34/04/1171813404.db2.gz NDQBGOHGSGEWLC-ARFHVFGLSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001668279747 1173391736 /nfs/dbraw/zinc/39/17/36/1173391736.db2.gz XDRLZRLLPRCVPP-QWHCGFSZSA-N 2 0 255.406 1.387 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001669200762 1173517549 /nfs/dbraw/zinc/51/75/49/1173517549.db2.gz IMWIJOLVZRSVIX-SREVYHEPSA-N 2 0 299.418 1.647 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001672986475 1173815204 /nfs/dbraw/zinc/81/52/04/1173815204.db2.gz CXJQFSKLYHMZEI-WKILWMFISA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001675271208 1174092380 /nfs/dbraw/zinc/09/23/80/1174092380.db2.gz YPUZSWYXLBSZPO-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001690125320 1175381130 /nfs/dbraw/zinc/38/11/30/1175381130.db2.gz CAAJYWPZYFOOFT-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001691994634 1175663709 /nfs/dbraw/zinc/66/37/09/1175663709.db2.gz IRRBBNPKFLCYTI-HOTGVXAUSA-N 2 0 293.455 1.685 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001698606490 1175870255 /nfs/dbraw/zinc/87/02/55/1175870255.db2.gz ZAUAELSQYWCEKS-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001698619252 1175875080 /nfs/dbraw/zinc/87/50/80/1175875080.db2.gz MEBBIWXOOBGKQV-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001698676270 1175892610 /nfs/dbraw/zinc/89/26/10/1175892610.db2.gz OSQXRAMLBBLZCQ-OAHLLOKOSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001698861187 1175967231 /nfs/dbraw/zinc/96/72/31/1175967231.db2.gz NAJBJAFGWLGAHY-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001698893118 1175979208 /nfs/dbraw/zinc/97/92/08/1175979208.db2.gz QFYFTQVVFHFNHZ-KBPBESRZSA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001699003999 1176035613 /nfs/dbraw/zinc/03/56/13/1176035613.db2.gz KNBKFVKIEPZPKC-UHFFFAOYSA-N 2 0 281.444 1.829 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001699021128 1176045662 /nfs/dbraw/zinc/04/56/62/1176045662.db2.gz OOQFMPNKEKOXFS-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001699662636 1176556563 /nfs/dbraw/zinc/55/65/63/1176556563.db2.gz ZELSKQKATSQXDY-UHFFFAOYSA-N 2 0 299.418 1.033 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001699663832 1176557940 /nfs/dbraw/zinc/55/79/40/1176557940.db2.gz QVBJJUPCNNTVRM-UHFFFAOYSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001699666181 1176558777 /nfs/dbraw/zinc/55/87/77/1176558777.db2.gz PEZFDIVUTDKXEW-ZIAGYGMSSA-N 2 0 277.412 1.428 10 30 CDEERP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001699682321 1176567228 /nfs/dbraw/zinc/56/72/28/1176567228.db2.gz KIDXDTCHJCTMLQ-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001700084868 1176743249 /nfs/dbraw/zinc/74/32/49/1176743249.db2.gz BWDWWDQQKYVEPB-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001700179150 1176784035 /nfs/dbraw/zinc/78/40/35/1176784035.db2.gz OGCKFRCEPLMJGT-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001700362276 1176876102 /nfs/dbraw/zinc/87/61/02/1176876102.db2.gz ALBVTLASDVUUBX-MRXNPFEDSA-N 2 0 291.439 1.418 10 30 CDEERP C#CCC[N@@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001700694241 1177080268 /nfs/dbraw/zinc/08/02/68/1177080268.db2.gz WFBQLKCZSCHVMY-UHFFFAOYSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001700828652 1177152428 /nfs/dbraw/zinc/15/24/28/1177152428.db2.gz LAYVLQAWCNBFCR-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@H]12 ZINC001700870112 1177171788 /nfs/dbraw/zinc/17/17/88/1177171788.db2.gz YRTFROOLSJQZKV-DOTOQJQBSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[N@H+](CC)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001713028019 1178314639 /nfs/dbraw/zinc/31/46/39/1178314639.db2.gz QAJTYYQOPOWUSX-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001713124560 1178383410 /nfs/dbraw/zinc/38/34/10/1178383410.db2.gz IHSWHKJSQITIBJ-GJZGRUSLSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001713265830 1178459824 /nfs/dbraw/zinc/45/98/24/1178459824.db2.gz VWRJFQABAITFNW-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001713339218 1178507988 /nfs/dbraw/zinc/50/79/88/1178507988.db2.gz DGKOZJQBYKWHHK-OAHLLOKOSA-N 2 0 281.444 1.923 10 30 CDEERP C=C(C)C[N@H+](CCC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001713551160 1178640967 /nfs/dbraw/zinc/64/09/67/1178640967.db2.gz CLAULKLYOKXCKP-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001714277577 1179060918 /nfs/dbraw/zinc/06/09/18/1179060918.db2.gz BZVGAHFRCXIPRA-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001714901225 1179444361 /nfs/dbraw/zinc/44/43/61/1179444361.db2.gz YBZQEYQSALCBED-JYJNAYRXSA-N 2 0 291.439 1.130 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001714913217 1179450379 /nfs/dbraw/zinc/45/03/79/1179450379.db2.gz ZCQSJAJISFEDSN-INIZCTEOSA-N 2 0 293.455 1.685 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001715362248 1179643075 /nfs/dbraw/zinc/64/30/75/1179643075.db2.gz VCUZNBAXFWIKSB-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001715530764 1179703759 /nfs/dbraw/zinc/70/37/59/1179703759.db2.gz GWZINBFNFWHUEZ-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001715544070 1179710166 /nfs/dbraw/zinc/71/01/66/1179710166.db2.gz IXFQCCHSUGPNSD-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001715740096 1179786183 /nfs/dbraw/zinc/78/61/83/1179786183.db2.gz GIXIKEZJXFNUEJ-UHFFFAOYSA-N 2 0 291.439 1.324 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001715768424 1179797543 /nfs/dbraw/zinc/79/75/43/1179797543.db2.gz WDBVLGDQCSJIPO-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001716195371 1180091287 /nfs/dbraw/zinc/09/12/87/1180091287.db2.gz FAQZPFWSFLDJNS-GJZGRUSLSA-N 2 0 297.443 1.015 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001716352645 1180165642 /nfs/dbraw/zinc/16/56/42/1180165642.db2.gz XFVIEMPUDLWLGT-WAYWQWQTSA-N 2 0 279.428 1.556 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CC(=C)C)CC1 ZINC001716509112 1180261320 /nfs/dbraw/zinc/26/13/20/1180261320.db2.gz WMGKDLPCFJPCCR-OAHLLOKOSA-N 2 0 291.439 1.344 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001716693505 1180374545 /nfs/dbraw/zinc/37/45/45/1180374545.db2.gz KMTKVXOYKCZJOC-MRXNPFEDSA-N 2 0 297.418 1.623 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001716888904 1180454756 /nfs/dbraw/zinc/45/47/56/1180454756.db2.gz OREYVVLUUKDPJI-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001717290977 1180607138 /nfs/dbraw/zinc/60/71/38/1180607138.db2.gz SNRBXGLYQJBJKW-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001717367837 1180632741 /nfs/dbraw/zinc/63/27/41/1180632741.db2.gz RTCYHCGIMZXNQK-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001723435357 1181559811 /nfs/dbraw/zinc/55/98/11/1181559811.db2.gz VRLDKXDBOATMQW-CQSZACIVSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001724696583 1181726698 /nfs/dbraw/zinc/72/66/98/1181726698.db2.gz HIXZOHOUQDDERP-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001725567240 1182052385 /nfs/dbraw/zinc/05/23/85/1182052385.db2.gz NOZCJQFGRAQSFS-CHWSQXEVSA-N 2 0 265.401 1.093 10 30 CDEERP C=CCC[NH+]1CC=C(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001725816838 1182141312 /nfs/dbraw/zinc/14/13/12/1182141312.db2.gz LVHDMBLSVRJOOF-UHFFFAOYSA-N 2 0 291.439 1.795 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001731699193 1182521930 /nfs/dbraw/zinc/52/19/30/1182521930.db2.gz LWCVEXXGIPZBQT-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001731729569 1182537115 /nfs/dbraw/zinc/53/71/15/1182537115.db2.gz KTHFOSOIAUGOMU-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001731858336 1182631460 /nfs/dbraw/zinc/63/14/60/1182631460.db2.gz SEVXBMCTALFBAD-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001732082523 1182756505 /nfs/dbraw/zinc/75/65/05/1182756505.db2.gz OZNRGYYNSIONII-AWEZNQCLSA-N 2 0 279.428 1.295 10 30 CDEERP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1ccnc1C ZINC001732472007 1182981074 /nfs/dbraw/zinc/98/10/74/1182981074.db2.gz MUTBRSZDKPODMU-OAHLLOKOSA-N 2 0 290.411 1.335 10 30 CDEERP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCCC[NH+](C)C ZINC001732549506 1183004703 /nfs/dbraw/zinc/00/47/03/1183004703.db2.gz XCZALMUXQXPDLQ-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001732878851 1183169186 /nfs/dbraw/zinc/16/91/86/1183169186.db2.gz SMQARHCGUKBSTF-ONEGZZNKSA-N 2 0 297.362 1.329 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001732885179 1183170264 /nfs/dbraw/zinc/17/02/64/1183170264.db2.gz GJVJYBJPBAKZFG-AATRIKPKSA-N 2 0 279.428 1.699 10 30 CDEERP C=CCCC[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001732923102 1183186129 /nfs/dbraw/zinc/18/61/29/1183186129.db2.gz LCIFZNJVCAXQEM-AATRIKPKSA-N 2 0 277.412 1.310 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001733050010 1183263129 /nfs/dbraw/zinc/26/31/29/1183263129.db2.gz NYFQYKVIXKWJOX-ILXRZTDVSA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001733106317 1183293092 /nfs/dbraw/zinc/29/30/92/1183293092.db2.gz DRHBBFHMQFVKTJ-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001733122154 1183297470 /nfs/dbraw/zinc/29/74/70/1183297470.db2.gz OTGOGKQEWQQWDV-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001733145103 1183307079 /nfs/dbraw/zinc/30/70/79/1183307079.db2.gz HTNXJMRANNSEEV-UHFFFAOYSA-N 2 0 293.455 1.714 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC=C)CCC2)CC1 ZINC001733727884 1183511475 /nfs/dbraw/zinc/51/14/75/1183511475.db2.gz AKDLRZWSRMYBIT-UHFFFAOYSA-N 2 0 289.423 1.146 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001733780812 1183531952 /nfs/dbraw/zinc/53/19/52/1183531952.db2.gz RFIXWPDDRHOFSN-HOTGVXAUSA-N 2 0 293.455 1.663 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001733935319 1183574715 /nfs/dbraw/zinc/57/47/15/1183574715.db2.gz FKLUMRLTKWVIFY-INIZCTEOSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001734003940 1183611303 /nfs/dbraw/zinc/61/13/03/1183611303.db2.gz QDJSBMFPECLVEJ-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001734174582 1183681897 /nfs/dbraw/zinc/68/18/97/1183681897.db2.gz WTUCDUGVKFDIHI-PHZGNYQRSA-N 2 0 293.455 1.588 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001734463448 1183787345 /nfs/dbraw/zinc/78/73/45/1183787345.db2.gz WFCJMGKYXLNOIJ-ZIAGYGMSSA-N 2 0 279.428 1.483 10 30 CDEERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000872228499 730422710 /nfs/dbraw/zinc/42/27/10/730422710.db2.gz IIKGKQIUHPBLAC-SLTAFYQDSA-N 2 0 279.428 1.894 10 30 CDEERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852862076 730515512 /nfs/dbraw/zinc/51/55/12/730515512.db2.gz RXVBRCVIOXIRPA-CABCVRRESA-N 2 0 291.439 1.226 10 30 CDEERP C[N@H+](CCNC(=O)C#CC1CC[NH2+]CC1)Cc1ccccc1 ZINC000852861983 730769887 /nfs/dbraw/zinc/76/98/87/730769887.db2.gz OXUKUJOKINZUEP-UHFFFAOYSA-N 2 0 299.418 1.238 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000876742850 730851619 /nfs/dbraw/zinc/85/16/19/730851619.db2.gz XKZZHRAWEFWSJK-STQMWFEESA-N 2 0 285.819 1.543 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000876724356 730920013 /nfs/dbraw/zinc/92/00/13/730920013.db2.gz UYFRCBXVKJDHIH-CQSZACIVSA-N 2 0 299.846 1.791 10 30 CDEERP C[NH+]=C(NC[C@@H]1CCC[N@H+]1CCOC)NC(C)(C)C ZINC000303487038 731406478 /nfs/dbraw/zinc/40/64/78/731406478.db2.gz VDSBTQQQFSBQCH-LBPRGKRZSA-N 2 0 270.421 1.061 10 30 CDEERP C=CC[C@H]1CC[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000934473285 731524869 /nfs/dbraw/zinc/52/48/69/731524869.db2.gz ZIVXVYWTPHIBER-AWEZNQCLSA-N 2 0 265.401 1.237 10 30 CDEERP C[NH+]1CCC2(CC1)CC[NH+](CCOCCC#N)CC2 ZINC000709315888 731684117 /nfs/dbraw/zinc/68/41/17/731684117.db2.gz TXGMOYYIWYCDCI-UHFFFAOYSA-N 2 0 265.401 1.724 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000876748374 732032954 /nfs/dbraw/zinc/03/29/54/732032954.db2.gz ABHZONNUMDEJNW-NEPJUHHUSA-N 2 0 271.792 1.153 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000876533308 732268042 /nfs/dbraw/zinc/26/80/42/732268042.db2.gz HUVWLZMVCHZBPF-VWYCJHECSA-N 2 0 259.781 1.042 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000832225797 732724213 /nfs/dbraw/zinc/72/42/13/732724213.db2.gz ZPLDKBDYXDGVTK-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863035002 732890989 /nfs/dbraw/zinc/89/09/89/732890989.db2.gz RHBGCHIPODNTQH-HOTGVXAUSA-N 2 0 289.423 1.217 10 30 CDEERP C=CCOCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001620661386 1165664255 /nfs/dbraw/zinc/66/42/55/1165664255.db2.gz AUFZFMGSGYINBV-UHFFFAOYSA-N 2 0 282.428 1.502 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001569231814 1167556766 /nfs/dbraw/zinc/55/67/66/1167556766.db2.gz ARWYNEQPVBLIFA-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001502754798 1167775156 /nfs/dbraw/zinc/77/51/56/1167775156.db2.gz XEZHLARIXZPFCL-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001565825970 1168175066 /nfs/dbraw/zinc/17/50/66/1168175066.db2.gz CJZASCMPSXWRFJ-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001565843933 1168182527 /nfs/dbraw/zinc/18/25/27/1168182527.db2.gz HZTWRQPBRIWGGK-BETUJISGSA-N 2 0 265.401 1.141 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001566556690 1168333872 /nfs/dbraw/zinc/33/38/72/1168333872.db2.gz NWNYAWIHZFNMIL-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001566871677 1168452720 /nfs/dbraw/zinc/45/27/20/1168452720.db2.gz IQNZLYQZRMJECF-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001272300248 912727055 /nfs/dbraw/zinc/72/70/55/912727055.db2.gz FLSXCMBAPZLQGE-HOTGVXAUSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001567291255 1168663375 /nfs/dbraw/zinc/66/33/75/1168663375.db2.gz ZNBCWQARHDDJLQ-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)CC[N@H+](CCC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001567431590 1168755845 /nfs/dbraw/zinc/75/58/45/1168755845.db2.gz KWIIYCZFPVGPSP-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266288916 894167531 /nfs/dbraw/zinc/16/75/31/894167531.db2.gz ULRHVKIMOYIUMH-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480873500 894842942 /nfs/dbraw/zinc/84/29/42/894842942.db2.gz NXMRFPZWFAEMEZ-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266599772 895507658 /nfs/dbraw/zinc/50/76/58/895507658.db2.gz WYKRJRMTMOHXKV-IHRRRGAJSA-N 2 0 267.417 1.386 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267012607 896552482 /nfs/dbraw/zinc/55/24/82/896552482.db2.gz VMLYHEFJIYBWRB-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CCCF)CC1 ZINC001267256966 897358123 /nfs/dbraw/zinc/35/81/23/897358123.db2.gz JYKXSWJFHFFOSJ-UHFFFAOYSA-N 2 0 297.418 1.129 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001267278822 897449041 /nfs/dbraw/zinc/44/90/41/897449041.db2.gz RFFNNZMXYUSEBG-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001267370131 897737844 /nfs/dbraw/zinc/73/78/44/897737844.db2.gz LZQOBTRDHFACAH-KRWDZBQOSA-N 2 0 299.418 1.409 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001267493224 898149003 /nfs/dbraw/zinc/14/90/03/898149003.db2.gz DPBZNHIPRBYRIW-ZBFHGGJFSA-N 2 0 293.455 1.423 10 30 CDEERP CC#CC[NH+]1CC[C@@H](CCNC(=O)CC[N@@H+](C)CCC)C1 ZINC001267595015 898642897 /nfs/dbraw/zinc/64/28/97/898642897.db2.gz OQGPLLUCVHEHQL-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001481044708 898678641 /nfs/dbraw/zinc/67/86/41/898678641.db2.gz SDGHYEHLWDFJHE-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001567630119 1168895844 /nfs/dbraw/zinc/89/58/44/1168895844.db2.gz LFQXUQJZPQYWFM-AWEZNQCLSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001267992721 900212782 /nfs/dbraw/zinc/21/27/82/900212782.db2.gz VMGYGBRJGAXTDN-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481490761 900911368 /nfs/dbraw/zinc/91/13/68/900911368.db2.gz JLMQYUZXCIQBFS-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001481503146 900949505 /nfs/dbraw/zinc/94/95/05/900949505.db2.gz DGZOYCCUPVSOPO-OAHLLOKOSA-N 2 0 279.428 1.132 10 30 CDEERP C=CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]21 ZINC001268270819 901717551 /nfs/dbraw/zinc/71/75/51/901717551.db2.gz QHBDZWUDROOPFN-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001481738886 901982559 /nfs/dbraw/zinc/98/25/59/901982559.db2.gz QMLAXELIEXTXHP-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268669094 902929004 /nfs/dbraw/zinc/92/90/04/902929004.db2.gz LKWVIMPIHMMGOE-CQSZACIVSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1[nH]cnc1C ZINC001269339183 903715027 /nfs/dbraw/zinc/71/50/27/903715027.db2.gz XJYUWDOIFLHREN-CYBMUJFWSA-N 2 0 276.384 1.417 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001269356577 903729335 /nfs/dbraw/zinc/72/93/35/903729335.db2.gz RPOYRNRBZWHOGI-OAHLLOKOSA-N 2 0 279.428 1.581 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001269413446 903791185 /nfs/dbraw/zinc/79/11/85/903791185.db2.gz VAAUVQCRBGCTNY-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCC1 ZINC001482221327 903833038 /nfs/dbraw/zinc/83/30/38/903833038.db2.gz FDMKAHNKWKPWHH-UHFFFAOYSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001269792369 904118133 /nfs/dbraw/zinc/11/81/33/904118133.db2.gz STPWJZPRKGACJN-OAHLLOKOSA-N 2 0 291.439 1.487 10 30 CDEERP C=C(C)CC[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001269839320 904141192 /nfs/dbraw/zinc/14/11/92/904141192.db2.gz NHIQIISOKHLZHH-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001270082383 904336674 /nfs/dbraw/zinc/33/66/74/904336674.db2.gz WBPJDNAIGBQDQH-UHFFFAOYSA-N 2 0 297.402 1.121 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001270082650 904340219 /nfs/dbraw/zinc/34/02/19/904340219.db2.gz DTECUPNFWQBLLA-CQSZACIVSA-N 2 0 296.374 1.470 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001271658758 906575024 /nfs/dbraw/zinc/57/50/24/906575024.db2.gz CCUXWAWZNUAASK-LSDHHAIUSA-N 2 0 281.444 1.588 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001482529612 906844438 /nfs/dbraw/zinc/84/44/38/906844438.db2.gz KIUUFISIBGGVFX-CVEARBPZSA-N 2 0 293.455 1.613 10 30 CDEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001482546245 906992395 /nfs/dbraw/zinc/99/23/95/906992395.db2.gz AGGYYCVRXXUCFA-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]C(C)C)C(C)C)CC1 ZINC001482571480 907280391 /nfs/dbraw/zinc/28/03/91/907280391.db2.gz IMHKVLICDHWLLL-INIZCTEOSA-N 2 0 293.455 1.470 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001272994255 921350404 /nfs/dbraw/zinc/35/04/04/921350404.db2.gz XGNCIGCIXFXUHJ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H](CC)[NH+](C)C ZINC001567976701 1169104396 /nfs/dbraw/zinc/10/43/96/1169104396.db2.gz IRHRLYKMWZJUAL-STQMWFEESA-N 2 0 255.406 1.387 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001483352106 910956913 /nfs/dbraw/zinc/95/69/13/910956913.db2.gz WNZXBTHLLIBJPU-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001568091697 1169134956 /nfs/dbraw/zinc/13/49/56/1169134956.db2.gz ILLOUMLSZKLDJW-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001484002494 915282205 /nfs/dbraw/zinc/28/22/05/915282205.db2.gz VQIOUKHJDMBPCG-FVQBIDKESA-N 2 0 291.439 1.224 10 30 CDEERP CC#CC[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001484070224 915387578 /nfs/dbraw/zinc/38/75/78/915387578.db2.gz DGQBEYGEIZBKOG-KRWDZBQOSA-N 2 0 291.439 1.466 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001484121193 915444557 /nfs/dbraw/zinc/44/45/57/915444557.db2.gz XKJXXUFKPDYIOT-INIZCTEOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484176620 915492198 /nfs/dbraw/zinc/49/21/98/915492198.db2.gz VVXGBBSJYXLQBS-WBVHZDCISA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001485002593 916361542 /nfs/dbraw/zinc/36/15/42/916361542.db2.gz ZGJSWCYYLCAFFD-HNNXBMFYSA-N 2 0 279.428 1.370 10 30 CDEERP CCCCNC(=[NH2+])NCC1CC[NH+](CCC)CC1 ZINC000303905319 935047077 /nfs/dbraw/zinc/04/70/77/935047077.db2.gz ZGXNZCHMRDTVBL-UHFFFAOYSA-N 2 0 254.422 1.813 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001485252881 916695690 /nfs/dbraw/zinc/69/56/90/916695690.db2.gz RPIQOZQGZGVTAH-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001485534094 917075910 /nfs/dbraw/zinc/07/59/10/917075910.db2.gz YGZLEPAWXUFUFQ-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001485698080 917202161 /nfs/dbraw/zinc/20/21/61/917202161.db2.gz DJTARLDVMGKJKE-HDJSIYSDSA-N 2 0 290.411 1.677 10 30 CDEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001485827204 918942866 /nfs/dbraw/zinc/94/28/66/918942866.db2.gz ONYZRTJBQCIZNE-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272866286 919926949 /nfs/dbraw/zinc/92/69/49/919926949.db2.gz USEAGOXKVYCTFB-OLZOCXBDSA-N 2 0 287.835 1.708 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568300476 1169231078 /nfs/dbraw/zinc/23/10/78/1169231078.db2.gz RQQIECWUHVJPAX-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2ccnc2C)C1 ZINC001486129910 920733455 /nfs/dbraw/zinc/73/34/55/920733455.db2.gz RYVNYSUNXQEDNT-DZGCQCFKSA-N 2 0 290.411 1.737 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001486209970 920821527 /nfs/dbraw/zinc/82/15/27/920821527.db2.gz FZDYHYHAPRMKHT-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001486437562 921015911 /nfs/dbraw/zinc/01/59/11/921015911.db2.gz APHSFBVABKWAOG-CQSZACIVSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001486476627 921052366 /nfs/dbraw/zinc/05/23/66/921052366.db2.gz HDALRYXJRVNWSO-NRXISQOPSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491028806 936843899 /nfs/dbraw/zinc/84/38/99/936843899.db2.gz RIRAETHUHJYQMG-ZNMIVQPWSA-N 2 0 281.444 1.776 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001488949000 926760788 /nfs/dbraw/zinc/76/07/88/926760788.db2.gz PXCGQTLOROHSFZ-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001490270750 927068079 /nfs/dbraw/zinc/06/80/79/927068079.db2.gz GZHBQCNEEVOQBN-ZDUSSCGKSA-N 2 0 255.406 1.197 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001276047851 932471338 /nfs/dbraw/zinc/47/13/38/932471338.db2.gz HBHNXTVDJYOZPP-UHFFFAOYSA-N 2 0 287.835 1.661 10 30 CDEERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000925786396 932938849 /nfs/dbraw/zinc/93/88/49/932938849.db2.gz RXOBCMKTXMGKMS-DIOULYMOSA-N 2 0 255.365 1.991 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928079496 933117345 /nfs/dbraw/zinc/11/73/45/933117345.db2.gz ZCHACCSENWMPBL-ZIAGYGMSSA-N 2 0 297.468 1.190 10 30 CDEERP CCC[NH+]1CCC(CNC(NCC)=[NH+]CC)CC1 ZINC000303267003 935023809 /nfs/dbraw/zinc/02/38/09/935023809.db2.gz WNYNTBJJQRTCTA-UHFFFAOYSA-N 2 0 254.422 1.683 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001122202584 937912595 /nfs/dbraw/zinc/91/25/95/937912595.db2.gz NUIXMXOYWDFORU-ZIAGYGMSSA-N 2 0 295.427 1.026 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001280198575 942423801 /nfs/dbraw/zinc/42/38/01/942423801.db2.gz SVEWUFLCZREMGF-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCC1 ZINC001280544815 942461302 /nfs/dbraw/zinc/46/13/02/942461302.db2.gz GKYVKPNGSJSFQT-OAHLLOKOSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001281411051 942573234 /nfs/dbraw/zinc/57/32/34/942573234.db2.gz ZCIGXWIHMNXBTO-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001282040982 942649203 /nfs/dbraw/zinc/64/92/03/942649203.db2.gz DIQRINJGGLSMQT-UHFFFAOYSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001283556031 942932174 /nfs/dbraw/zinc/93/21/74/942932174.db2.gz YGSSLHCAZIRBLP-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C ZINC001332804840 943305898 /nfs/dbraw/zinc/30/58/98/943305898.db2.gz BKSUMTHFKPMAAO-UONOGXRCSA-N 2 0 299.434 1.420 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001277836405 943762903 /nfs/dbraw/zinc/76/29/03/943762903.db2.gz NNIRQZJXGLAKTG-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001263991974 944055533 /nfs/dbraw/zinc/05/55/33/944055533.db2.gz XFBJOHJGOHTXRU-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001264742773 944173256 /nfs/dbraw/zinc/17/32/56/944173256.db2.gz GSNDRUAZQLEJGF-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265225394 944284045 /nfs/dbraw/zinc/28/40/45/944284045.db2.gz XBARQJLQZLZWTM-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001265543029 944423847 /nfs/dbraw/zinc/42/38/47/944423847.db2.gz CGGISPCPBZDPLG-QLFBSQMISA-N 2 0 279.428 1.674 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001265676273 944466763 /nfs/dbraw/zinc/46/67/63/944466763.db2.gz ZEMCMHBXVNGXQL-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265704841 944477210 /nfs/dbraw/zinc/47/72/10/944477210.db2.gz AQSPZYUZFWZTPR-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001278326693 946195241 /nfs/dbraw/zinc/19/52/41/946195241.db2.gz SZQLOMAWYFCXJQ-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001479627131 971346319 /nfs/dbraw/zinc/34/63/19/971346319.db2.gz RSKAIISIMWBHOL-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001479696036 971369025 /nfs/dbraw/zinc/36/90/25/971369025.db2.gz SDXCVASBLYBPDE-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C(=O)Cc1cnc[nH]1)C(C)C ZINC001278922111 948257108 /nfs/dbraw/zinc/25/71/08/948257108.db2.gz IKCPCCWKAXTHFC-UHFFFAOYSA-N 2 0 278.400 1.697 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001480111056 971582082 /nfs/dbraw/zinc/58/20/82/971582082.db2.gz WGPYBSTVPLQRQD-UONOGXRCSA-N 2 0 285.407 1.433 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001480775655 971874160 /nfs/dbraw/zinc/87/41/60/971874160.db2.gz HAIMQYXKTOOHGA-CYBMUJFWSA-N 2 0 265.401 1.285 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001569151521 1169694310 /nfs/dbraw/zinc/69/43/10/1169694310.db2.gz JHGGNYASGPQHRG-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001327927237 955116579 /nfs/dbraw/zinc/11/65/79/955116579.db2.gz VTFZFBOEYOFNRZ-CVEARBPZSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001491681280 955353731 /nfs/dbraw/zinc/35/37/31/955353731.db2.gz CVHNWLSDQHNUFW-ZDUSSCGKSA-N 2 0 253.390 1.143 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001421752093 955524134 /nfs/dbraw/zinc/52/41/34/955524134.db2.gz FHFOIHSMCJPXIY-YPMHNXCESA-N 2 0 287.835 1.423 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329102392 955684764 /nfs/dbraw/zinc/68/47/64/955684764.db2.gz DDEOKDMCYKFSLV-OLZOCXBDSA-N 2 0 267.417 1.530 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001421996734 955693359 /nfs/dbraw/zinc/69/33/59/955693359.db2.gz XAWBGWVOHQQTEJ-GFCCVEGCSA-N 2 0 273.808 1.271 10 30 CDEERP C=C(C[NH+](C)C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001330655375 956545398 /nfs/dbraw/zinc/54/53/98/956545398.db2.gz YZMONKDWFZEUNJ-UHFFFAOYSA-N 2 0 291.399 1.206 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001316875394 956866012 /nfs/dbraw/zinc/86/60/12/956866012.db2.gz AAOOOWLYCSYHGR-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001316947065 957145680 /nfs/dbraw/zinc/14/56/80/957145680.db2.gz GYHZACGCKSBSAJ-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001331576997 957148645 /nfs/dbraw/zinc/14/86/45/957148645.db2.gz ZCLNFIBTWKUWTD-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001331920047 957337239 /nfs/dbraw/zinc/33/72/39/957337239.db2.gz UQPPIEOJWJNMKX-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001317414957 957461016 /nfs/dbraw/zinc/46/10/16/957461016.db2.gz GEXZYSSSBCGCCW-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001317423051 957465451 /nfs/dbraw/zinc/46/54/51/957465451.db2.gz JBFBHKFJHFNNOQ-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317761246 957654478 /nfs/dbraw/zinc/65/44/78/957654478.db2.gz IDGSFSHODYUYGR-JKSUJKDBSA-N 2 0 293.455 1.663 10 30 CDEERP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CCC ZINC001318224828 957978873 /nfs/dbraw/zinc/97/88/73/957978873.db2.gz QDXLLSSHZPERNG-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001318292848 958022787 /nfs/dbraw/zinc/02/27/87/958022787.db2.gz WJIDDITUIUPGRX-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001321120045 959603609 /nfs/dbraw/zinc/60/36/09/959603609.db2.gz DLHPJNBSTRFNOS-YVACAVLKSA-N 2 0 279.428 1.699 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001321968952 960039490 /nfs/dbraw/zinc/03/94/90/960039490.db2.gz OTMXUYGTOPAUEN-KGLIPLIRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001336004689 960147421 /nfs/dbraw/zinc/14/74/21/960147421.db2.gz VRKHTYOPSDYPJE-KBPBESRZSA-N 2 0 294.443 1.263 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001495395213 972486660 /nfs/dbraw/zinc/48/66/60/972486660.db2.gz DESNWWGFUDFFMI-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001495396973 972486779 /nfs/dbraw/zinc/48/67/79/972486779.db2.gz OZYBHGCAKUKNHG-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)CCC[NH+]1CCCC1)C1CC1 ZINC001323111580 960459062 /nfs/dbraw/zinc/45/90/62/960459062.db2.gz BZYYFBFTLVLSEW-INIZCTEOSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[C@]1(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)CCC[NH2+]1 ZINC001341472745 963429648 /nfs/dbraw/zinc/42/96/48/963429648.db2.gz QYAIHFUJRDLMGF-VNQPRFMTSA-N 2 0 277.412 1.095 10 30 CDEERP C=CC[C@@]1(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)CCC[NH2+]1 ZINC001341472744 963429678 /nfs/dbraw/zinc/42/96/78/963429678.db2.gz QYAIHFUJRDLMGF-KBMXLJTQSA-N 2 0 277.412 1.095 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001439679632 963837486 /nfs/dbraw/zinc/83/74/86/963837486.db2.gz WTTZLGQSGLJSRI-UHFFFAOYSA-N 2 0 273.808 1.318 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001569381267 1169831877 /nfs/dbraw/zinc/83/18/77/1169831877.db2.gz LOBCLDAPTLGLIW-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001344374080 964290682 /nfs/dbraw/zinc/29/06/82/964290682.db2.gz KJAKHJKYYPAINI-YUELXQCFSA-N 2 0 265.401 1.128 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001441816680 964730595 /nfs/dbraw/zinc/73/05/95/964730595.db2.gz DTHRKRREIXPYOT-DGCLKSJQSA-N 2 0 285.819 1.175 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001347814385 965710064 /nfs/dbraw/zinc/71/00/64/965710064.db2.gz VAIVPKKZGTXWLQ-OAHLLOKOSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001544168280 967342804 /nfs/dbraw/zinc/34/28/04/967342804.db2.gz FFLBNQIRUPEYPM-HUUCEWRRSA-N 2 0 295.471 1.979 10 30 CDEERP C=CCC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001569577540 1169929646 /nfs/dbraw/zinc/92/96/46/1169929646.db2.gz WHWBUNYSRMUWMF-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)Cc1c[nH]cn1)C1CCCC1 ZINC001569611422 1169936187 /nfs/dbraw/zinc/93/61/87/1169936187.db2.gz XISBOGFPYAQFKS-OAHLLOKOSA-N 2 0 288.395 1.240 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001375212395 974293653 /nfs/dbraw/zinc/29/36/53/974293653.db2.gz DYFGFIBIGJBNPI-OLZOCXBDSA-N 2 0 285.819 1.318 10 30 CDEERP C=CC[N@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001500292432 974415729 /nfs/dbraw/zinc/41/57/29/974415729.db2.gz JGEKHRQPCFUELK-INIZCTEOSA-N 2 0 279.428 1.629 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001501091132 974531265 /nfs/dbraw/zinc/53/12/65/974531265.db2.gz LFUSTKKKDXOXBS-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001505455497 974885617 /nfs/dbraw/zinc/88/56/17/974885617.db2.gz BQSZKYYBZVRAPE-LSDHHAIUSA-N 2 0 281.444 1.826 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001506906987 975253274 /nfs/dbraw/zinc/25/32/74/975253274.db2.gz IOEAZYFBMQUSKX-WKILWMFISA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001507161064 975359724 /nfs/dbraw/zinc/35/97/24/975359724.db2.gz IDVVXPKIAYRWDD-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001406076915 976006199 /nfs/dbraw/zinc/00/61/99/976006199.db2.gz VOOZZZGTNIFQGE-CHWSQXEVSA-N 2 0 287.835 1.421 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001390364372 976262609 /nfs/dbraw/zinc/26/26/09/976262609.db2.gz JDMFGHMYIGGBDP-FRRDWIJNSA-N 2 0 287.835 1.564 10 30 CDEERP CC#CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001492816501 977650695 /nfs/dbraw/zinc/65/06/95/977650695.db2.gz HZUXZVJWYFGSSR-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001674480106 1173952853 /nfs/dbraw/zinc/95/28/53/1173952853.db2.gz BZHATIMQRHNRJJ-HRCADAONSA-N 2 0 293.455 1.826 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCCCC1 ZINC001675185144 1174081878 /nfs/dbraw/zinc/08/18/78/1174081878.db2.gz JTUBPAAFJPULEA-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001676377246 1174216650 /nfs/dbraw/zinc/21/66/50/1174216650.db2.gz XKUSSORORJLPHB-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001570252144 1170121964 /nfs/dbraw/zinc/12/19/64/1170121964.db2.gz FLVNPZRETQLXDM-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001570747238 1170266740 /nfs/dbraw/zinc/26/67/40/1170266740.db2.gz DLVHMTDUAMOYQD-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436717 342899874 /nfs/dbraw/zinc/89/98/74/342899874.db2.gz FWIUEIDHVPWVEJ-KFWWJZLASA-N 2 0 294.443 1.634 10 30 CDEERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438584 342906365 /nfs/dbraw/zinc/90/63/65/342906365.db2.gz OMXZJTOAPNOELL-KGLIPLIRSA-N 2 0 280.416 1.388 10 30 CDEERP C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C(C)(C)C[NH+](C)C ZINC000600726779 342245268 /nfs/dbraw/zinc/24/52/68/342245268.db2.gz UURIKPHNXXWLDO-CHWSQXEVSA-N 2 0 267.417 1.607 10 30 CDEERP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809514 346441011 /nfs/dbraw/zinc/44/10/11/346441011.db2.gz DVDZZZAKORASID-CJNGLKHVSA-N 2 0 299.422 1.462 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001661511982 1172399489 /nfs/dbraw/zinc/39/94/89/1172399489.db2.gz VFBIEEILBTZCOM-SHTZXODSSA-N 2 0 277.412 1.123 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001662857460 1172605368 /nfs/dbraw/zinc/60/53/68/1172605368.db2.gz ZXBFPCMEQBCCJE-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@H+]2CC)CCC[NH2+]1 ZINC000662661192 413265083 /nfs/dbraw/zinc/26/50/83/413265083.db2.gz MIUXJPZPNHPCCE-HIFRSBDPSA-N 2 0 265.401 1.285 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC001585893171 1172921481 /nfs/dbraw/zinc/92/14/81/1172921481.db2.gz CCINUIAYANJITF-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)C[N@@H+](C)C(C)C ZINC000662090110 414508513 /nfs/dbraw/zinc/50/85/13/414508513.db2.gz JOBBSBCNHREZTH-QLFBSQMISA-N 2 0 252.402 1.871 10 30 CDEERP COCC[N@H+](Cc1cc(C#CC[NH3+])cs1)[C@H](C)COC ZINC000043689111 175095621 /nfs/dbraw/zinc/09/56/21/175095621.db2.gz MKSWQQXCVRDWAG-CYBMUJFWSA-N 2 0 296.436 1.542 10 30 CDEERP CC[N@H+](Cc1cc(C#CC[NH3+])cs1)[C@H](C)COC ZINC000043689130 175096195 /nfs/dbraw/zinc/09/61/95/175096195.db2.gz AIBFWEHUAGAFIN-GFCCVEGCSA-N 2 0 266.410 1.915 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)CC[NH+]2CCCCC2)CCCC1 ZINC001665968202 1173092961 /nfs/dbraw/zinc/09/29/61/1173092961.db2.gz BEZDSLFNPQIINW-UHFFFAOYSA-N 2 0 291.439 1.514 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001666120022 1173111716 /nfs/dbraw/zinc/11/17/16/1173111716.db2.gz LRKDBQOMIHKRDJ-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)CCC[NH2+]1 ZINC000662748698 424400955 /nfs/dbraw/zinc/40/09/55/424400955.db2.gz ZMYQVKZSMKQBBO-DOTOQJQBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001667504032 1173276956 /nfs/dbraw/zinc/27/69/56/1173276956.db2.gz ZLUQVOZCRZOPKP-OAHLLOKOSA-N 2 0 281.444 1.635 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001668178980 1173379486 /nfs/dbraw/zinc/37/94/86/1173379486.db2.gz PXKJEQFBWYMDJW-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001669662504 1173582849 /nfs/dbraw/zinc/58/28/49/1173582849.db2.gz WUEOOGHJWJBODA-UONOGXRCSA-N 2 0 267.417 1.224 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001692263943 1159229343 /nfs/dbraw/zinc/22/93/43/1159229343.db2.gz VBSLROMKBQTOHN-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](C)CC ZINC001267386493 1159358424 /nfs/dbraw/zinc/35/84/24/1159358424.db2.gz JKFADAMKMYUQID-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482925066 1160646958 /nfs/dbraw/zinc/64/69/58/1160646958.db2.gz WYSJHOYVWHGOJT-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP CC[N@H+](CCOC)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609722 521133554 /nfs/dbraw/zinc/13/35/54/521133554.db2.gz DGZGQWJHGVDOQO-UHFFFAOYSA-N 2 0 264.344 1.604 10 30 CDEERP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001731239580 1182269790 /nfs/dbraw/zinc/26/97/90/1182269790.db2.gz BKCRUBFMGQYJBQ-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP CC(C)[NH+]1CCN(Cc2ccc(F)cc2C#CC[NH3+])CC1 ZINC000049609281 519682306 /nfs/dbraw/zinc/68/23/06/519682306.db2.gz USTRTHNORKGMGC-UHFFFAOYSA-N 2 0 289.398 1.662 10 30 CDEERP CCN[C@H](C#N)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000062436810 520160336 /nfs/dbraw/zinc/16/03/36/520160336.db2.gz SZDNYCZMRGKKLS-AWEZNQCLSA-N 2 0 252.406 1.152 10 30 CDEERP C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(C#CC[NH3+])cc1 ZINC000061655670 521863068 /nfs/dbraw/zinc/86/30/68/521863068.db2.gz ANHJRXGRVCFBRS-MRXNPFEDSA-N 2 0 285.391 1.163 10 30 CDEERP COCC[N@H+](Cc1cccc(C#CC[NH3+])c1)C1CC1 ZINC000049609707 523754086 /nfs/dbraw/zinc/75/40/86/523754086.db2.gz XYSDZOJBDHNHQO-UHFFFAOYSA-N 2 0 258.365 1.608 10 30 CDEERP COc1ccc(C[N@@H+]2CCC[C@@H]2C)cc1C#CC[NH3+] ZINC000049608287 524027868 /nfs/dbraw/zinc/02/78/68/524027868.db2.gz UZDHCZIAPJNFBV-ZDUSSCGKSA-N 2 0 258.365 1.990 10 30 CDEERP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001688893956 1175057310 /nfs/dbraw/zinc/05/73/10/1175057310.db2.gz OBIFEMIPXGOGQM-INIZCTEOSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001688903240 1175062449 /nfs/dbraw/zinc/06/24/49/1175062449.db2.gz AHAGRPVGCKRZFV-OWCLPIDISA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221177 613742613 /nfs/dbraw/zinc/74/26/13/613742613.db2.gz MJTYFPUHQQDIOC-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939808671 613874266 /nfs/dbraw/zinc/87/42/66/613874266.db2.gz GBGXOSDYZLHLJW-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCc1cccc(C#N)c1 ZINC000903475836 626004967 /nfs/dbraw/zinc/00/49/67/626004967.db2.gz FJMFOORITVCSSQ-CJNGLKHVSA-N 2 0 257.381 1.888 10 30 CDEERP C=CCOc1ccccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904398752 626288060 /nfs/dbraw/zinc/28/80/60/626288060.db2.gz SATZDDOWSOTPQW-UHFFFAOYSA-N 2 0 275.396 1.246 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000913759228 630745591 /nfs/dbraw/zinc/74/55/91/630745591.db2.gz KKLPPAGKARRRGT-ZIAGYGMSSA-N 2 0 265.401 1.047 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001691087711 1158902009 /nfs/dbraw/zinc/90/20/09/1158902009.db2.gz ZZOADCJODBDDLV-ZNMIVQPWSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001700976228 1160196121 /nfs/dbraw/zinc/19/61/21/1160196121.db2.gz LHQHCAUOEPOEJY-INIZCTEOSA-N 2 0 293.455 1.520 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001483345976 1160908926 /nfs/dbraw/zinc/90/89/26/1160908926.db2.gz RLIXWTIKPXVWAI-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#C[C@H]([NH2+]CC1CC[NH+](CC)CC1)C1CCOCC1 ZINC001621447732 1165693456 /nfs/dbraw/zinc/69/34/56/1165693456.db2.gz DTKBIZSHVMWWBA-INIZCTEOSA-N 2 0 264.413 1.736 10 30 CDEERP C#CC[N@@H+](C)CCCNC(=O)C1CC[NH+](CC(C)C)CC1 ZINC001637962984 1166806947 /nfs/dbraw/zinc/80/69/47/1166806947.db2.gz LORTXTYXPKLNDK-UHFFFAOYSA-N 2 0 293.455 1.426 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001566813723 1168431394 /nfs/dbraw/zinc/43/13/94/1168431394.db2.gz LSKAXKDEESSONC-QAQDUYKDSA-N 2 0 299.418 1.622 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001566943067 1168475330 /nfs/dbraw/zinc/47/53/30/1168475330.db2.gz YCFGWLAUHHOAQP-OAHLLOKOSA-N 2 0 289.423 1.219 10 30 CDEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567203291 1168615667 /nfs/dbraw/zinc/61/56/67/1168615667.db2.gz VXXLCWBBAIQBPF-HNNXBMFYSA-N 2 0 289.423 1.028 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC001567666269 1168909263 /nfs/dbraw/zinc/90/92/63/1168909263.db2.gz WMOMOTRKJGTWIV-MRXNPFEDSA-N 2 0 287.407 1.407 10 30 CDEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001571363081 1170385968 /nfs/dbraw/zinc/38/59/68/1170385968.db2.gz WAIIDYPQBFVRSF-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001571367257 1170388276 /nfs/dbraw/zinc/38/82/76/1170388276.db2.gz FOVPELJZAKROCJ-HUUCEWRRSA-N 2 0 279.428 1.032 10 30 CDEERP C#CCC[N@@H+](CCOC)CC1CC[NH+](CC)CC1 ZINC001659725550 1172134338 /nfs/dbraw/zinc/13/43/38/1172134338.db2.gz UKUFKGPYELDKLU-UHFFFAOYSA-N 2 0 252.402 1.690 10 30 CDEERP C#CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001660699351 1172259075 /nfs/dbraw/zinc/25/90/75/1172259075.db2.gz AUQNPLGRPXDXKV-HNNXBMFYSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001661136821 1172341175 /nfs/dbraw/zinc/34/11/75/1172341175.db2.gz MCFFKFMMTOWTLA-CQSZACIVSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001661136819 1172341492 /nfs/dbraw/zinc/34/14/92/1172341492.db2.gz MCFFKFMMTOWTLA-AWEZNQCLSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001662716823 1172585154 /nfs/dbraw/zinc/58/51/54/1172585154.db2.gz DAYYWKUHUFVATI-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001669483285 1173555612 /nfs/dbraw/zinc/55/56/12/1173555612.db2.gz ZUFDQSYRQGKUHH-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001673958792 1173901854 /nfs/dbraw/zinc/90/18/54/1173901854.db2.gz KQXWNIJUERXDHC-AWEZNQCLSA-N 2 0 299.434 1.823 10 30 CDEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001675360205 1174107112 /nfs/dbraw/zinc/10/71/12/1174107112.db2.gz USOYJROJIOPCAG-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001690544573 1175490724 /nfs/dbraw/zinc/49/07/24/1175490724.db2.gz TUFLLOCKTSCYJE-UHFFFAOYSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001690718421 1175554481 /nfs/dbraw/zinc/55/44/81/1175554481.db2.gz HAXZSXZWYCFGQU-AWEZNQCLSA-N 2 0 296.374 1.328 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001698547158 1175830779 /nfs/dbraw/zinc/83/07/79/1175830779.db2.gz UCWCBAUAFMAIHJ-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001698667843 1175891350 /nfs/dbraw/zinc/89/13/50/1175891350.db2.gz MHTISAQQYZNFSH-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001698755766 1175919481 /nfs/dbraw/zinc/91/94/81/1175919481.db2.gz SGJDKBAGWUQKLP-HNNXBMFYSA-N 2 0 293.455 1.780 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001698766642 1175923813 /nfs/dbraw/zinc/92/38/13/1175923813.db2.gz PBGQMAPLWNJLLX-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001698767371 1175925178 /nfs/dbraw/zinc/92/51/78/1175925178.db2.gz UNDZRJBFHLOEBZ-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001698873105 1175973657 /nfs/dbraw/zinc/97/36/57/1175973657.db2.gz JNUVDUXHPSGKKI-HNNXBMFYSA-N 2 0 281.444 1.635 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001698935094 1175988401 /nfs/dbraw/zinc/98/84/01/1175988401.db2.gz MTFLZJLDTAGGMS-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001699741502 1176600399 /nfs/dbraw/zinc/60/03/99/1176600399.db2.gz UZVGCHKQOWFJJB-HUUCEWRRSA-N 2 0 289.423 1.075 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699751767 1176607122 /nfs/dbraw/zinc/60/71/22/1176607122.db2.gz SZGDYOHRYXRLFB-JKSUJKDBSA-N 2 0 291.439 1.485 10 30 CDEERP CC#CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001699773652 1176617274 /nfs/dbraw/zinc/61/72/74/1176617274.db2.gz AMSFZFUMAZXCHD-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001699931548 1176686802 /nfs/dbraw/zinc/68/68/02/1176686802.db2.gz DMGCSFSAZGJZOG-KGLIPLIRSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001700106427 1176748178 /nfs/dbraw/zinc/74/81/78/1176748178.db2.gz YIIVYKWRWPVWFY-BZUAXINKSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001700126962 1176759633 /nfs/dbraw/zinc/75/96/33/1176759633.db2.gz FVIGYPLCZGLEAG-CQSZACIVSA-N 2 0 277.412 1.239 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001700267052 1176825233 /nfs/dbraw/zinc/82/52/33/1176825233.db2.gz KUKQBAXIHVTKMC-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001700550585 1177009893 /nfs/dbraw/zinc/00/98/93/1177009893.db2.gz OUMBXQZCZXILOU-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001700550494 1177010939 /nfs/dbraw/zinc/01/09/39/1177010939.db2.gz LWJXYYKNTDHKFB-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001700758669 1177117281 /nfs/dbraw/zinc/11/72/81/1177117281.db2.gz CIIRHVFMPZLFFN-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001713255150 1178455812 /nfs/dbraw/zinc/45/58/12/1178455812.db2.gz GLKJSQNDDWQJAN-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001713680829 1178706989 /nfs/dbraw/zinc/70/69/89/1178706989.db2.gz UFROWQSPEAOFHJ-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC001714523350 1179181534 /nfs/dbraw/zinc/18/15/34/1179181534.db2.gz KJKWRUCDRQNNAD-UHFFFAOYSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715023655 1179514299 /nfs/dbraw/zinc/51/42/99/1179514299.db2.gz PLNXHQACKHRENB-AWEZNQCLSA-N 2 0 279.428 1.437 10 30 CDEERP C#CCC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)CCC)C1 ZINC001715045383 1179526759 /nfs/dbraw/zinc/52/67/59/1179526759.db2.gz KNORHJZMXIKRJB-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001715056828 1179532872 /nfs/dbraw/zinc/53/28/72/1179532872.db2.gz KVZQVXLRDHPWHZ-QLFBSQMISA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)C[N@@H+](C)C2CCC2)CCCC1 ZINC001715093268 1179549794 /nfs/dbraw/zinc/54/97/94/1179549794.db2.gz VOXNWNLXCXLUGU-UHFFFAOYSA-N 2 0 291.439 1.513 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001715161510 1179566907 /nfs/dbraw/zinc/56/69/07/1179566907.db2.gz ZRPATKLYELDJSP-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715928729 1179922240 /nfs/dbraw/zinc/92/22/40/1179922240.db2.gz WULLQUCUBNWKFQ-KGLIPLIRSA-N 2 0 267.417 1.530 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC[C@@H](C)F)CC1 ZINC001715963365 1179944806 /nfs/dbraw/zinc/94/48/06/1179944806.db2.gz YRKVZHQQHZYHIL-ZIAGYGMSSA-N 2 0 297.418 1.174 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001716013608 1179986573 /nfs/dbraw/zinc/98/65/73/1179986573.db2.gz NGXFSBOPLOLJFC-HUUCEWRRSA-N 2 0 281.444 1.826 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001716244584 1180117785 /nfs/dbraw/zinc/11/77/85/1180117785.db2.gz ZDMWGZGXQHYIQD-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001716701552 1180378824 /nfs/dbraw/zinc/37/88/24/1180378824.db2.gz SKIRBGLGXKYNAP-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001716818559 1180424124 /nfs/dbraw/zinc/42/41/24/1180424124.db2.gz GATZLKVXVAOKFQ-JKSUJKDBSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001717076353 1180524464 /nfs/dbraw/zinc/52/44/64/1180524464.db2.gz GCWFDFBCPIMYCZ-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001717236280 1180586338 /nfs/dbraw/zinc/58/63/38/1180586338.db2.gz QECCMKPTDWYNEV-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001717293532 1180607632 /nfs/dbraw/zinc/60/76/32/1180607632.db2.gz NFNRBPYTACNXLD-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001717423732 1180664048 /nfs/dbraw/zinc/66/40/48/1180664048.db2.gz WSMIBFKPIVHWLD-KGLIPLIRSA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001717477008 1180696491 /nfs/dbraw/zinc/69/64/91/1180696491.db2.gz VVZRKSHOZNRSRR-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001717485706 1180700397 /nfs/dbraw/zinc/70/03/97/1180700397.db2.gz QWQCWSPUJAIKTQ-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)CC1CC[NH+](C)CC1 ZINC001717532437 1180724536 /nfs/dbraw/zinc/72/45/36/1180724536.db2.gz GMYPBSTWTARGMH-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717693920 1180793472 /nfs/dbraw/zinc/79/34/72/1180793472.db2.gz AUMIXQTUKVGJCT-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001717859892 1180896787 /nfs/dbraw/zinc/89/67/87/1180896787.db2.gz GIWFPPAACPRMLN-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001717871854 1180906629 /nfs/dbraw/zinc/90/66/29/1180906629.db2.gz DFRRDVSJKXRPGS-ZIAGYGMSSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001723297724 1181533806 /nfs/dbraw/zinc/53/38/06/1181533806.db2.gz KUPKZQIXGAIMJI-JKSUJKDBSA-N 2 0 291.439 1.367 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001724250198 1181658330 /nfs/dbraw/zinc/65/83/30/1181658330.db2.gz NDBLWYKYFHTGPI-GOEBONIOSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001725060253 1181833653 /nfs/dbraw/zinc/83/36/53/1181833653.db2.gz SPNDDGLZQJOAFX-OAHLLOKOSA-N 2 0 279.428 1.273 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001725215958 1181925636 /nfs/dbraw/zinc/92/56/36/1181925636.db2.gz YYLDOGUPHXJMKC-OAHLLOKOSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH+]1CC([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001725263559 1181944647 /nfs/dbraw/zinc/94/46/47/1181944647.db2.gz HKBDABKGOFVZSN-CQSZACIVSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001731720787 1182530651 /nfs/dbraw/zinc/53/06/51/1182530651.db2.gz PAFFLHXLALTVKX-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001732167533 1182828788 /nfs/dbraw/zinc/82/87/88/1182828788.db2.gz DEYYWMQVIVYMTK-CABCVRRESA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CN(CC)CCO1 ZINC001732471167 1182981057 /nfs/dbraw/zinc/98/10/57/1182981057.db2.gz HMOKKGQOIGNRGJ-HUUCEWRRSA-N 2 0 297.443 1.014 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732694282 1183089704 /nfs/dbraw/zinc/08/97/04/1183089704.db2.gz HEKPFXVACDLKCH-RBSFLKMASA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001733226125 1183350617 /nfs/dbraw/zinc/35/06/17/1183350617.db2.gz PDUNXULTIHNTRG-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001733334722 1183400741 /nfs/dbraw/zinc/40/07/41/1183400741.db2.gz XKDZXDDLSZAGKB-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CC)CC1 ZINC001733373847 1183411621 /nfs/dbraw/zinc/41/16/21/1183411621.db2.gz LHUUJAITOKSAIA-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001733605962 1183476399 /nfs/dbraw/zinc/47/63/99/1183476399.db2.gz GICPVGBHEMGJSG-UONOGXRCSA-N 2 0 265.401 1.189 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001733843264 1183547508 /nfs/dbraw/zinc/54/75/08/1183547508.db2.gz AFUCYVPZEYKJPG-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001734084202 1183651462 /nfs/dbraw/zinc/65/14/62/1183651462.db2.gz YJYIIAMJTTWPGH-HZPDHXFCSA-N 2 0 293.455 1.424 10 30 CDEERP C#CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001734152847 1183676590 /nfs/dbraw/zinc/67/65/90/1183676590.db2.gz MHKLEIILABWKJS-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001734271906 1183710287 /nfs/dbraw/zinc/71/02/87/1183710287.db2.gz JLLHCDIFVCAXGO-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001734576995 1183831506 /nfs/dbraw/zinc/83/15/06/1183831506.db2.gz ZTRAAGLWJKLKMM-CQSZACIVSA-N 2 0 291.439 1.226 10 30 CDEERP C[N@@H+]1CCC[C@H]2CN(Cc3cncc(C#N)c3)CC[C@@H]21 ZINC000721571022 735293505 /nfs/dbraw/zinc/29/35/05/735293505.db2.gz AWSJZKOHPIZHBD-HOTGVXAUSA-N 2 0 270.380 1.869 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000876939903 735851244 /nfs/dbraw/zinc/85/12/44/735851244.db2.gz OAZVGSQXGJRRON-MNOVXSKESA-N 2 0 271.792 1.247 10 30 CDEERP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])NC2CCCCC2)C[C@H](C)O1 ZINC000303788883 733323394 /nfs/dbraw/zinc/32/33/94/733323394.db2.gz UVVHOHAHFSPPNC-OKILXGFUSA-N 2 0 296.459 1.723 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000876723460 733529646 /nfs/dbraw/zinc/52/96/46/733529646.db2.gz BAYDQUIGCJUSJG-CYBMUJFWSA-N 2 0 287.835 1.837 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000876884673 733723714 /nfs/dbraw/zinc/72/37/14/733723714.db2.gz RNHHCHOSBJMAFE-BPCQOVAHSA-N 2 0 285.819 1.589 10 30 CDEERP C=CCC[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262601 734139887 /nfs/dbraw/zinc/13/98/87/734139887.db2.gz QCXLQZZHQXHKHG-GOEBONIOSA-N 2 0 275.396 1.919 10 30 CDEERP CC(C)CNC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000303908854 734188111 /nfs/dbraw/zinc/18/81/11/734188111.db2.gz XVOMFQJFTGVLNG-UHFFFAOYSA-N 2 0 254.422 1.811 10 30 CDEERP CC[NH+](CC)CC1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801915354 734258459 /nfs/dbraw/zinc/25/84/59/734258459.db2.gz QLOIQEPLUPGOGX-AWEZNQCLSA-N 2 0 267.417 1.969 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000876717702 734960463 /nfs/dbraw/zinc/96/04/63/734960463.db2.gz JQKPLRHPMUFHPP-CQSZACIVSA-N 2 0 299.846 1.933 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000876913280 735062060 /nfs/dbraw/zinc/06/20/60/735062060.db2.gz PRBIXFLNPISDBX-MNOVXSKESA-N 2 0 259.781 1.090 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000876956176 735175851 /nfs/dbraw/zinc/17/58/51/735175851.db2.gz FRXXAPAACHQDQM-ZIAGYGMSSA-N 2 0 299.846 1.695 10 30 CDEERP C=CCC[C@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262603 735764887 /nfs/dbraw/zinc/76/48/87/735764887.db2.gz QCXLQZZHQXHKHG-ZBFHGGJFSA-N 2 0 275.396 1.919 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000876716685 735999845 /nfs/dbraw/zinc/99/98/45/735999845.db2.gz KCTLQJRGGRXEDH-NWDGAFQWSA-N 2 0 275.824 1.549 10 30 CDEERP C=CCNC(=O)C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156690 736010504 /nfs/dbraw/zinc/01/05/04/736010504.db2.gz CJHUCFZRRIOULS-GOEBONIOSA-N 2 0 293.455 1.908 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000876846058 736298470 /nfs/dbraw/zinc/29/84/70/736298470.db2.gz MEHYJIGMCHKFBB-UONOGXRCSA-N 2 0 293.798 1.460 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318056157 1165729590 /nfs/dbraw/zinc/72/95/90/1165729590.db2.gz HNBFBCMWUUIQMT-ZDUSSCGKSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000876723214 1165900089 /nfs/dbraw/zinc/90/00/89/1165900089.db2.gz PZDWRYWXLQYCGW-JQWIXIFHSA-N 2 0 273.808 1.304 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001569171449 1167552399 /nfs/dbraw/zinc/55/23/99/1167552399.db2.gz WKFORLHXGVLTNV-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001646116453 1167652700 /nfs/dbraw/zinc/65/27/00/1167652700.db2.gz FXQCDGSBJAUOCJ-LLVKDONJSA-N 2 0 273.808 1.399 10 30 CDEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)CCC ZINC001565977185 1168207182 /nfs/dbraw/zinc/20/71/82/1168207182.db2.gz SNXDDHYQFNBEPC-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001566596102 1168349594 /nfs/dbraw/zinc/34/95/94/1168349594.db2.gz WMEPTYXZTHLMDG-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001566602221 1168352547 /nfs/dbraw/zinc/35/25/47/1168352547.db2.gz QFNMJXAHSLNGDT-HNNXBMFYSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001566871742 1168452545 /nfs/dbraw/zinc/45/25/45/1168452545.db2.gz JVUZOBQERKLKQQ-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483695189 912877350 /nfs/dbraw/zinc/87/73/50/912877350.db2.gz PSULQTGIWOUJDE-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001272474529 913180960 /nfs/dbraw/zinc/18/09/60/913180960.db2.gz HSFZXFFCOKOPRI-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001567423160 1168749462 /nfs/dbraw/zinc/74/94/62/1168749462.db2.gz ISTSWRYKWWHYQA-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266245502 893899646 /nfs/dbraw/zinc/89/96/46/893899646.db2.gz CAZCNGLHQGJMSL-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001266617543 895597570 /nfs/dbraw/zinc/59/75/70/895597570.db2.gz NZSPRGVBBYDJJQ-OAHLLOKOSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266638153 895658980 /nfs/dbraw/zinc/65/89/80/895658980.db2.gz JWJSGVBBQSXFLX-XGUBFFRZSA-N 2 0 279.428 1.530 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001266743388 895954453 /nfs/dbraw/zinc/95/44/53/895954453.db2.gz GVPOKXGXPOVWQW-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267255873 897351646 /nfs/dbraw/zinc/35/16/46/897351646.db2.gz REMDQHRCHULDNX-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CCC)C1 ZINC001267489366 898145205 /nfs/dbraw/zinc/14/52/05/898145205.db2.gz YIEDQFGFQUQXAA-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001267493654 898149274 /nfs/dbraw/zinc/14/92/74/898149274.db2.gz KHYKDZZLAUYSPQ-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267589938 898601642 /nfs/dbraw/zinc/60/16/42/898601642.db2.gz ROEGKHPWPZALSH-JKSUJKDBSA-N 2 0 293.455 1.376 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001481122820 898935128 /nfs/dbraw/zinc/93/51/28/898935128.db2.gz LTNBOMGDWIRHEX-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001481122824 898935520 /nfs/dbraw/zinc/93/55/20/898935520.db2.gz LTNBOMGDWIRHEX-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267702340 899324896 /nfs/dbraw/zinc/32/48/96/899324896.db2.gz FWPCSSJSGVYCAF-HOTGVXAUSA-N 2 0 293.455 1.685 10 30 CDEERP C#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001267857799 899883383 /nfs/dbraw/zinc/88/33/83/899883383.db2.gz HVMWMRUBICDZGH-GRDNDAEWSA-N 2 0 291.439 1.224 10 30 CDEERP C#CCC[NH+]1CCC(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001267944691 900016831 /nfs/dbraw/zinc/01/68/31/900016831.db2.gz IBGLPTVFXNXPNQ-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001267964047 900096380 /nfs/dbraw/zinc/09/63/80/900096380.db2.gz ZPONZGRIMHIACQ-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481493562 900918543 /nfs/dbraw/zinc/91/85/43/900918543.db2.gz BNJLLAQWHZOBQK-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268073370 901099767 /nfs/dbraw/zinc/09/97/67/901099767.db2.gz ZYTQFGGNUUKUCG-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001268218549 901591986 /nfs/dbraw/zinc/59/19/86/901591986.db2.gz JHQKNNCBAWXKJC-JKSUJKDBSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[N@@H+](C)CCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001268240237 901646946 /nfs/dbraw/zinc/64/69/46/901646946.db2.gz VIZULHHMPNPBJD-UHFFFAOYSA-N 2 0 293.436 1.447 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001481695815 901821464 /nfs/dbraw/zinc/82/14/64/901821464.db2.gz HJSXLXVTPBTKSS-JSGCOSHPSA-N 2 0 290.411 1.806 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001481812861 902166451 /nfs/dbraw/zinc/16/64/51/902166451.db2.gz AIPIWTVRYYMQFN-QLFBSQMISA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001481941873 902383040 /nfs/dbraw/zinc/38/30/40/902383040.db2.gz YIAQTTJVGXAOBU-CZUORRHYSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001268674613 902936136 /nfs/dbraw/zinc/93/61/36/902936136.db2.gz WVMUFWQBILAYIZ-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001270035979 904293008 /nfs/dbraw/zinc/29/30/08/904293008.db2.gz KAOMLHVWAGGCNI-SHTZXODSSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCCC)CC1 ZINC001482369437 905218507 /nfs/dbraw/zinc/21/85/07/905218507.db2.gz XJMOXOVHTRBYAF-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001271154708 905877253 /nfs/dbraw/zinc/87/72/53/905877253.db2.gz JPUFPBIHGNYKKA-CQSZACIVSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001271654490 906571397 /nfs/dbraw/zinc/57/13/97/906571397.db2.gz DSKIISLNBSDQSR-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001271879188 906925683 /nfs/dbraw/zinc/92/56/83/906925683.db2.gz YBUMMBSOYDKICQ-UONOGXRCSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001482838980 908415022 /nfs/dbraw/zinc/41/50/22/908415022.db2.gz HFBGWDMKFVPKNI-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC001568004172 1169112837 /nfs/dbraw/zinc/11/28/37/1169112837.db2.gz PZAKPAOMULTZEN-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP CC#CC[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001568041080 1169125727 /nfs/dbraw/zinc/12/57/27/1169125727.db2.gz PHVFUYIMSYFLQM-NVXWUHKLSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001483384544 911029122 /nfs/dbraw/zinc/02/91/22/911029122.db2.gz PKHBWNKUMVGVLV-ZDUSSCGKSA-N 2 0 267.417 1.034 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001507426102 911112891 /nfs/dbraw/zinc/11/28/91/911112891.db2.gz FVYAIQMEIXXQPA-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001483951640 915235125 /nfs/dbraw/zinc/23/51/25/915235125.db2.gz IRPIOCJNMHQFBT-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001484106885 915430605 /nfs/dbraw/zinc/43/06/05/915430605.db2.gz JIKFZJHQYXLRQV-DOTOQJQBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484358131 915669735 /nfs/dbraw/zinc/66/97/35/915669735.db2.gz UOZRDRVRQCUZIN-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001485071993 916468705 /nfs/dbraw/zinc/46/87/05/916468705.db2.gz ZUFWUSMKLOQVRK-INIZCTEOSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001485101517 916497934 /nfs/dbraw/zinc/49/79/34/916497934.db2.gz HGOOVYIODYBPCJ-UIDBIOKJSA-N 2 0 293.455 1.777 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485164184 916620242 /nfs/dbraw/zinc/62/02/42/916620242.db2.gz ROKKACIVFKQLQP-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001485499494 917035082 /nfs/dbraw/zinc/03/50/82/917035082.db2.gz ZGIPCMSLCHKOGX-DZGCQCFKSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568262152 1169205660 /nfs/dbraw/zinc/20/56/60/1169205660.db2.gz CXDJFFQBBPABIP-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001325405384 919497742 /nfs/dbraw/zinc/49/77/42/919497742.db2.gz FZFQFKDEMSSZDG-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568311986 1169239010 /nfs/dbraw/zinc/23/90/10/1169239010.db2.gz FOAGUIGCIUFCCV-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491161260 936867143 /nfs/dbraw/zinc/86/71/43/936867143.db2.gz VYVBTEMNQWKPQU-HOTGVXAUSA-N 2 0 293.455 1.424 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001491251114 936883314 /nfs/dbraw/zinc/88/33/14/936883314.db2.gz FDVIDUUAELSZKS-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001119644567 925452996 /nfs/dbraw/zinc/45/29/96/925452996.db2.gz VRHDHRVPLGHJHJ-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCO1 ZINC001273316791 925850201 /nfs/dbraw/zinc/85/02/01/925850201.db2.gz WWLAHAYRFOTEQL-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001568487176 1169321459 /nfs/dbraw/zinc/32/14/59/1169321459.db2.gz TZDDATZZCOKFCE-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001275159753 931683836 /nfs/dbraw/zinc/68/38/36/931683836.db2.gz GJBMERGMPBWGDC-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001275177897 931691222 /nfs/dbraw/zinc/69/12/22/931691222.db2.gz XUVGAYFMGCAPMR-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001275280158 931722790 /nfs/dbraw/zinc/72/27/90/931722790.db2.gz HMTUUSJJHBLGTG-IHRRRGAJSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001275519696 931852127 /nfs/dbraw/zinc/85/21/27/931852127.db2.gz BKKGNFOQDIUAGN-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001275827981 932072831 /nfs/dbraw/zinc/07/28/31/932072831.db2.gz QETCCMBLZHJWQT-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001490856936 934560761 /nfs/dbraw/zinc/56/07/61/934560761.db2.gz VDSCTKMSZDGPGE-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001331462916 945173066 /nfs/dbraw/zinc/17/30/66/945173066.db2.gz ZIZOLWHRDUSMCP-ZIAGYGMSSA-N 2 0 285.407 1.126 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001276432355 939717098 /nfs/dbraw/zinc/71/70/98/939717098.db2.gz MBJVAVALRXJCIY-KBPBESRZSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001276552425 940278749 /nfs/dbraw/zinc/27/87/49/940278749.db2.gz ICOWWTJOFRCASX-KBPBESRZSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001276815646 941466260 /nfs/dbraw/zinc/46/62/60/941466260.db2.gz VNBOZDOQJKNYHB-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001277151508 942059419 /nfs/dbraw/zinc/05/94/19/942059419.db2.gz UPBUHPFXIBLTSX-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001277157741 942077547 /nfs/dbraw/zinc/07/75/47/942077547.db2.gz JPOIBXMWLJGWMY-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001280883208 942502285 /nfs/dbraw/zinc/50/22/85/942502285.db2.gz GSTDJJAHWILWAP-UHFFFAOYSA-N 2 0 293.455 1.666 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001281476615 942581781 /nfs/dbraw/zinc/58/17/81/942581781.db2.gz WGENHTOQRCBNJX-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001281682621 942609065 /nfs/dbraw/zinc/60/90/65/942609065.db2.gz FOSICSMYFQLHFM-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001281890546 942628951 /nfs/dbraw/zinc/62/89/51/942628951.db2.gz RGQIJYZQXRPEHS-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001282716243 942744364 /nfs/dbraw/zinc/74/43/64/942744364.db2.gz IAWXIJBZKPMSNS-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001283452843 942899793 /nfs/dbraw/zinc/89/97/93/942899793.db2.gz YRSVGCYOKRHDLY-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001283545116 942929433 /nfs/dbraw/zinc/92/94/33/942929433.db2.gz VSMJMEYHYWQJFF-INIZCTEOSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001284025998 943052503 /nfs/dbraw/zinc/05/25/03/943052503.db2.gz NTIGUFRRJSMLKL-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001284148301 943089498 /nfs/dbraw/zinc/08/94/98/943089498.db2.gz IUNPCQAFBNYJHO-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001284545363 943206252 /nfs/dbraw/zinc/20/62/52/943206252.db2.gz NZFPMZDXULSCGS-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH+]1CC=C(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001284958495 943301154 /nfs/dbraw/zinc/30/11/54/943301154.db2.gz XRJIPSFYUDRHNZ-CQSZACIVSA-N 2 0 277.412 1.263 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](CCC)CC1 ZINC001263096911 943743093 /nfs/dbraw/zinc/74/30/93/943743093.db2.gz GPVTYCFAGZDOHN-OAHLLOKOSA-N 2 0 281.444 1.908 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001263820695 943989001 /nfs/dbraw/zinc/98/90/01/943989001.db2.gz FGHCFPMECYOERF-AWEZNQCLSA-N 2 0 265.401 1.191 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001264169837 944090790 /nfs/dbraw/zinc/09/07/90/944090790.db2.gz XZFORQCJSQKKRI-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264399822 944126106 /nfs/dbraw/zinc/12/61/06/944126106.db2.gz MWNAUJMLXNZJGA-CAOSSQGBSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001277974545 944299240 /nfs/dbraw/zinc/29/92/40/944299240.db2.gz VMAGNRYVSIBJKI-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001265623922 944449857 /nfs/dbraw/zinc/44/98/57/944449857.db2.gz GWBZUNCTYFROOY-HNNXBMFYSA-N 2 0 293.455 1.426 10 30 CDEERP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265655912 944458907 /nfs/dbraw/zinc/45/89/07/944458907.db2.gz RQWIDGSWOSAQRI-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479851998 971454071 /nfs/dbraw/zinc/45/40/71/971454071.db2.gz SVELVWCRFJNCMN-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C ZINC001279022770 948609635 /nfs/dbraw/zinc/60/96/35/948609635.db2.gz XWDGHARTQJEZGE-CYBMUJFWSA-N 2 0 269.433 1.635 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001279026902 948614641 /nfs/dbraw/zinc/61/46/41/948614641.db2.gz YLWRDVJALQLJSI-HIFRSBDPSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001278520301 949690953 /nfs/dbraw/zinc/69/09/53/949690953.db2.gz DLOVGCAGHLWWED-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001480304030 971663166 /nfs/dbraw/zinc/66/31/66/971663166.db2.gz VXOFRXFJWKXAGN-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001278612825 950459266 /nfs/dbraw/zinc/45/92/66/950459266.db2.gz GTUSEHUIWZAVMW-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480679758 971836481 /nfs/dbraw/zinc/83/64/81/971836481.db2.gz CYPWGKNVFXVXQX-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001324896937 953627468 /nfs/dbraw/zinc/62/74/68/953627468.db2.gz DTALVTQXGWQNTQ-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001316642792 953728468 /nfs/dbraw/zinc/72/84/68/953728468.db2.gz WALQXLOCVSAPBT-LDKKBFSKSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001493212390 971985823 /nfs/dbraw/zinc/98/58/23/971985823.db2.gz WFCJRVXWEZEFQZ-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001325898336 954130385 /nfs/dbraw/zinc/13/03/85/954130385.db2.gz LNULZRGIFUMVEJ-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001327226197 954781083 /nfs/dbraw/zinc/78/10/83/954781083.db2.gz XSVMFPBTBPERFA-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001327224777 954781825 /nfs/dbraw/zinc/78/18/25/954781825.db2.gz GKFOVQYCPUWCGD-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001327276669 954808565 /nfs/dbraw/zinc/80/85/65/954808565.db2.gz DSCKZQWZHUKLBB-HOTGVXAUSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C(=C)C[NH+](C)C ZINC001297373534 955016943 /nfs/dbraw/zinc/01/69/43/955016943.db2.gz XJFRSIIEWRQURH-UHFFFAOYSA-N 2 0 253.390 1.071 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001491825387 955455250 /nfs/dbraw/zinc/45/52/50/955455250.db2.gz AYNXZAOYJXAQSW-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491882657 955489873 /nfs/dbraw/zinc/48/98/73/955489873.db2.gz PKJOOKNUIKCSFD-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001491932266 955531203 /nfs/dbraw/zinc/53/12/03/955531203.db2.gz GYOFFBYJPHWTIU-HNNXBMFYSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001328928186 955560078 /nfs/dbraw/zinc/56/00/78/955560078.db2.gz ORFZGWFFPXRRMK-UYSNPLJNSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001492164988 955663431 /nfs/dbraw/zinc/66/34/31/955663431.db2.gz KTKCZVXXYOAEDF-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)CC[N@@H+](C)CC ZINC001329346972 955839182 /nfs/dbraw/zinc/83/91/82/955839182.db2.gz WOIDFSZXOPMPOZ-UHFFFAOYSA-N 2 0 267.417 1.036 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001329625443 956032141 /nfs/dbraw/zinc/03/21/41/956032141.db2.gz VRDGZKLGGSLDFA-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[N@H+](C)C1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001331028046 956772709 /nfs/dbraw/zinc/77/27/09/956772709.db2.gz AWGWSHGZALWAIS-UHFFFAOYSA-N 2 0 288.395 1.288 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001331345612 956983336 /nfs/dbraw/zinc/98/33/36/956983336.db2.gz GHJFTXLMHKUVFY-GJZGRUSLSA-N 2 0 281.444 1.585 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001317243919 957373969 /nfs/dbraw/zinc/37/39/69/957373969.db2.gz CPBKJFMDWSCUDI-NSHDSACASA-N 2 0 281.425 1.704 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001494599197 972265922 /nfs/dbraw/zinc/26/59/22/972265922.db2.gz RFLZYCIUSUDBAC-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001317346584 957431992 /nfs/dbraw/zinc/43/19/92/957431992.db2.gz XFNZCIQCVZSSOX-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001317558025 957550430 /nfs/dbraw/zinc/55/04/30/957550430.db2.gz BFKSJCGRCJLDHH-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001317683625 957638427 /nfs/dbraw/zinc/63/84/27/957638427.db2.gz VAOVPTXHJYLPLF-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001317988636 957845663 /nfs/dbraw/zinc/84/56/63/957845663.db2.gz ZGPHQNMZLSLRFT-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001332881132 957913575 /nfs/dbraw/zinc/91/35/75/957913575.db2.gz GXUWRQKPECJPSC-UONOGXRCSA-N 2 0 281.444 1.470 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001318122623 957931544 /nfs/dbraw/zinc/93/15/44/957931544.db2.gz RJJHRITUOGHTCF-INIZCTEOSA-N 2 0 291.439 1.342 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001333139859 958100596 /nfs/dbraw/zinc/10/05/96/958100596.db2.gz DRZICFHHZVFQQG-UHFFFAOYSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001318481950 958126126 /nfs/dbraw/zinc/12/61/26/958126126.db2.gz CTJXYSOJCNJIHB-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001318539026 958161750 /nfs/dbraw/zinc/16/17/50/958161750.db2.gz BDODMPUWVFWJKN-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001319281964 958475110 /nfs/dbraw/zinc/47/51/10/958475110.db2.gz MCOUOKUMBBAGGB-KBPBESRZSA-N 2 0 267.417 1.246 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC([NH3+])(CC)CC2)CCC[NH2+]1 ZINC001333731867 958553059 /nfs/dbraw/zinc/55/30/59/958553059.db2.gz WTALCGQNKXEZMN-HNNXBMFYSA-N 2 0 265.401 1.415 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001319621582 958660069 /nfs/dbraw/zinc/66/00/69/958660069.db2.gz XNBDFTVWXTYJOZ-AWEZNQCLSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001319633452 958664680 /nfs/dbraw/zinc/66/46/80/958664680.db2.gz HTAYOJAOAQOPSM-GJZGRUSLSA-N 2 0 279.428 1.082 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001569305956 1169757798 /nfs/dbraw/zinc/75/77/98/1169757798.db2.gz DPPBBVNTTVKLML-JKSUJKDBSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001320646819 959295174 /nfs/dbraw/zinc/29/51/74/959295174.db2.gz YSJFTPXCDWMYKG-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001321336074 959729334 /nfs/dbraw/zinc/72/93/34/959729334.db2.gz JIWCZDHREBAPDS-UWUBPMADSA-N 2 0 291.439 1.392 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001322677777 960294476 /nfs/dbraw/zinc/29/44/76/960294476.db2.gz GWGDJOIFOSKIIA-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001324336543 961315216 /nfs/dbraw/zinc/31/52/16/961315216.db2.gz ZGMFFRCQXITQQK-HNNXBMFYSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH+](CC=C)[C@H](CNC(=O)CC1CC([NH3+])C1)C(C)C ZINC001340810342 963135982 /nfs/dbraw/zinc/13/59/82/963135982.db2.gz XVYKJFSISNTYIA-UYSNPLJNSA-N 2 0 293.455 1.929 10 30 CDEERP C#CC[NH2+]CC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001341580461 963470193 /nfs/dbraw/zinc/47/01/93/963470193.db2.gz WLUPTMAUVKOWTK-HOCLYGCPSA-N 2 0 291.439 1.355 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001445395790 966184448 /nfs/dbraw/zinc/18/44/48/966184448.db2.gz PPZDXXIGERPBMT-NEPJUHHUSA-N 2 0 273.808 1.318 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001355391298 969141588 /nfs/dbraw/zinc/14/15/88/969141588.db2.gz WSRXDHDJRZRWAG-IPYPFGDCSA-N 2 0 265.401 1.080 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480612846 970077317 /nfs/dbraw/zinc/07/73/17/970077317.db2.gz VBRPNTDMNOKBMC-KBPBESRZSA-N 2 0 265.401 1.237 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C(=C)CC[NH+](C)C ZINC001467728851 970095084 /nfs/dbraw/zinc/09/50/84/970095084.db2.gz SHXJUWRXEVPKLU-UHFFFAOYSA-N 2 0 267.417 1.461 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001495577633 972542451 /nfs/dbraw/zinc/54/24/51/972542451.db2.gz KPSCNLUVRBYWQF-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCC1 ZINC001495923093 972704061 /nfs/dbraw/zinc/70/40/61/972704061.db2.gz BJOTVXRXIVTGST-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001496054464 972777483 /nfs/dbraw/zinc/77/74/83/972777483.db2.gz GYTZMXLCHHHGIN-HUUCEWRRSA-N 2 0 279.428 1.319 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001496057234 972779834 /nfs/dbraw/zinc/77/98/34/972779834.db2.gz XGSBYFGBHCQZKJ-KGLIPLIRSA-N 2 0 267.417 1.482 10 30 CDEERP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001569652957 1169953238 /nfs/dbraw/zinc/95/32/38/1169953238.db2.gz CBKZVBZUDILLLD-ZBFHGGJFSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH+](C)CCN(C)C(=O)CC[N@@H+](C)CCC ZINC001496824714 973111290 /nfs/dbraw/zinc/11/12/90/973111290.db2.gz HUVKZHJSKPJDMY-UHFFFAOYSA-N 2 0 267.417 1.132 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497305484 973282046 /nfs/dbraw/zinc/28/20/46/973282046.db2.gz YHZMMFSCYKSPPQ-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497393877 973330150 /nfs/dbraw/zinc/33/01/50/973330150.db2.gz LKHZZYLVPCWAIL-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001498399893 973887442 /nfs/dbraw/zinc/88/74/42/973887442.db2.gz ROCUYPFGONZHKS-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001498577377 973988521 /nfs/dbraw/zinc/98/85/21/973988521.db2.gz KPZJZCHODUTZQW-UHFFFAOYSA-N 2 0 299.378 1.505 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001498832890 974073098 /nfs/dbraw/zinc/07/30/98/974073098.db2.gz QHRRQEVGSJYHFF-JKSUJKDBSA-N 2 0 293.455 1.920 10 30 CDEERP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001501395317 974578924 /nfs/dbraw/zinc/57/89/24/974578924.db2.gz LYUXWUYRAHAEJB-HUUCEWRRSA-N 2 0 277.412 1.027 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001501604657 974603889 /nfs/dbraw/zinc/60/38/89/974603889.db2.gz VZBYAFTYOSCQGM-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001376941166 974825597 /nfs/dbraw/zinc/82/55/97/974825597.db2.gz MPKKSERWROLMQT-GFCCVEGCSA-N 2 0 273.808 1.129 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001506651508 975197674 /nfs/dbraw/zinc/19/76/74/975197674.db2.gz USSSXSKJRICPKG-DZGCQCFKSA-N 2 0 281.444 1.585 10 30 CDEERP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001506744995 975214849 /nfs/dbraw/zinc/21/48/49/975214849.db2.gz CKKAVMZKMTUGOX-LSDHHAIUSA-N 2 0 293.455 1.423 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001506904573 975253532 /nfs/dbraw/zinc/25/35/32/975253532.db2.gz GXNDSTQBGDOOKA-AJNGGQMLSA-N 2 0 279.428 1.530 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001507079821 975327329 /nfs/dbraw/zinc/32/73/29/975327329.db2.gz OWUDMNHJGOQBQO-JHJVBQTASA-N 2 0 287.835 1.516 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001507443144 975472264 /nfs/dbraw/zinc/47/22/64/975472264.db2.gz MJOCZWOIYXPJJT-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001398946109 976261164 /nfs/dbraw/zinc/26/11/64/976261164.db2.gz FOQYVZXKYDOSMR-OLZOCXBDSA-N 2 0 287.835 1.708 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392065104 977209820 /nfs/dbraw/zinc/20/98/20/977209820.db2.gz OLQZTXZVXSXDCV-YNEHKIRRSA-N 2 0 287.835 1.516 10 30 CDEERP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001674157020 1173918993 /nfs/dbraw/zinc/91/89/93/1173918993.db2.gz YRIFCVOCMFWSAN-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001657043257 1171919742 /nfs/dbraw/zinc/91/97/42/1171919742.db2.gz CKCAFUHTNPASJK-OLZOCXBDSA-N 2 0 253.390 1.092 10 30 CDEERP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000651685813 398149544 /nfs/dbraw/zinc/14/95/44/398149544.db2.gz FPWDQGBXJLRDJK-RBSFLKMASA-N 2 0 252.402 1.778 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000594440844 342907519 /nfs/dbraw/zinc/90/75/19/342907519.db2.gz INVYCFINDSSNIH-MELADBBJSA-N 2 0 278.400 1.141 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000594443239 342908073 /nfs/dbraw/zinc/90/80/73/342908073.db2.gz BDBHPZAMWSTJLE-QWHCGFSZSA-N 2 0 266.389 1.128 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000594443204 342908094 /nfs/dbraw/zinc/90/80/94/342908094.db2.gz ALSCJMYXQYUFCL-MGPQQGTHSA-N 2 0 280.416 1.279 10 30 CDEERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600725213 342245215 /nfs/dbraw/zinc/24/52/15/342245215.db2.gz DNSOUADSJNYTGC-YMAMQOFZSA-N 2 0 279.428 1.751 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643901805 362291453 /nfs/dbraw/zinc/29/14/53/362291453.db2.gz NZYKPSZCXMAYHX-SNPRPXQTSA-N 2 0 252.402 1.897 10 30 CDEERP N#C[C@@H]1CCC[C@H]1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601964629 344298013 /nfs/dbraw/zinc/29/80/13/344298013.db2.gz JQJXBNNGNQLUOO-KSZLIROESA-N 2 0 299.418 1.905 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CC(=C)C)CC1 ZINC001660408681 1172210896 /nfs/dbraw/zinc/21/08/96/1172210896.db2.gz LUFHLEZGFFJBHV-UHFFFAOYSA-N 2 0 291.439 1.346 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639273820 360767301 /nfs/dbraw/zinc/76/73/01/360767301.db2.gz FZKTYOUXGNODRX-ZFWWWQNUSA-N 2 0 282.428 1.402 10 30 CDEERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000422986836 374366266 /nfs/dbraw/zinc/36/62/66/374366266.db2.gz DKSBAYCVPWXYEL-CJNGLKHVSA-N 2 0 273.380 1.915 10 30 CDEERP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N(C)CCC#N)CCN1C ZINC000092799319 378003049 /nfs/dbraw/zinc/00/30/49/378003049.db2.gz UHGVQDMGUGZIPT-KGLIPLIRSA-N 2 0 280.416 1.163 10 30 CDEERP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(C#N)cc1F ZINC000447601781 250394080 /nfs/dbraw/zinc/39/40/80/250394080.db2.gz RBAUNQLATPCMEK-GFCCVEGCSA-N 2 0 279.359 1.926 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001662791914 1172594470 /nfs/dbraw/zinc/59/44/70/1172594470.db2.gz SSXKOCIYOWLVPX-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@H](C[NH2+]C)C2)CCC[NH2+]1 ZINC000662391819 412952062 /nfs/dbraw/zinc/95/20/62/412952062.db2.gz JQMFSXLFFIVLOI-UKRRQHHQSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[C@]1(C(=O)NC2CCC([NH3+])CC2)CCC[NH2+]1 ZINC000662406149 412972852 /nfs/dbraw/zinc/97/28/52/412972852.db2.gz UTVYDKWLNKQWGY-ORHYLEIMSA-N 2 0 251.374 1.071 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662449104 413027827 /nfs/dbraw/zinc/02/78/27/413027827.db2.gz VBQKHZBGIALEMX-KRWDZBQOSA-N 2 0 299.418 1.988 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001664187541 1172821046 /nfs/dbraw/zinc/82/10/46/1172821046.db2.gz YZJBHPSTLBAXDI-INIZCTEOSA-N 2 0 297.418 1.270 10 30 CDEERP C=CC[C@]1(C(=O)NCC[NH+](CC)CC)CCC[NH2+]1 ZINC000662659756 413261294 /nfs/dbraw/zinc/26/12/94/413261294.db2.gz OTTYERURJNQMEN-CQSZACIVSA-N 2 0 253.390 1.143 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@H+]2CC)CCC[NH2+]1 ZINC000662661191 413265973 /nfs/dbraw/zinc/26/59/73/413265973.db2.gz MIUXJPZPNHPCCE-DZGCQCFKSA-N 2 0 265.401 1.285 10 30 CDEERP C=CC[C@]1(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CCC[NH2+]1 ZINC000662743910 413415694 /nfs/dbraw/zinc/41/56/94/413415694.db2.gz APTMYGDDHVWUEC-SQWLQELKSA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000662743929 413417949 /nfs/dbraw/zinc/41/79/49/413417949.db2.gz XGQDGEFPBPOJDA-RDJZCZTQSA-N 2 0 291.439 1.629 10 30 CDEERP C=C[C@H](CO)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001665298070 1172975734 /nfs/dbraw/zinc/97/57/34/1172975734.db2.gz JUALXCJTKCSOTC-WLYUNCDWSA-N 2 0 268.401 1.156 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC000662777532 413482415 /nfs/dbraw/zinc/48/24/15/413482415.db2.gz GTIUUPWRIWMUMX-HOTGVXAUSA-N 2 0 277.412 1.287 10 30 CDEERP C[N@@H+](Cc1ccc(C#CC[NH3+])s1)C[C@H]1CCCO1 ZINC000043683886 175091914 /nfs/dbraw/zinc/09/19/14/175091914.db2.gz KZMXXHJKOHMZKU-GFCCVEGCSA-N 2 0 264.394 1.669 10 30 CDEERP COCCC[N@H+](CCOC)Cc1ccc(C#CC[NH3+])s1 ZINC000043684091 175092227 /nfs/dbraw/zinc/09/22/27/175092227.db2.gz KYHWXUJTUCVDJU-UHFFFAOYSA-N 2 0 296.436 1.543 10 30 CDEERP CC[N@H+](CCOC)Cc1sccc1C#CC[NH3+] ZINC000043683918 175092347 /nfs/dbraw/zinc/09/23/47/175092347.db2.gz VRMGLPQKECLHBB-UHFFFAOYSA-N 2 0 252.383 1.527 10 30 CDEERP CCN[C@@](C)(C#N)CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315768 175357910 /nfs/dbraw/zinc/35/79/10/175357910.db2.gz LVVZKAOTLPARNN-MRXNPFEDSA-N 2 0 280.460 1.932 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001666241034 1173120606 /nfs/dbraw/zinc/12/06/06/1173120606.db2.gz YNYILBJZDNIXFJ-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCC[NH2+]1 ZINC000662771310 424432283 /nfs/dbraw/zinc/43/22/83/424432283.db2.gz GBBCFHNPTGPDMY-KRWDZBQOSA-N 2 0 291.439 1.677 10 30 CDEERP C=CC[C@@]1(C(=O)NCCC[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000662783305 424460592 /nfs/dbraw/zinc/46/05/92/424460592.db2.gz DUHHDUCBCDAGQL-HIFRSBDPSA-N 2 0 265.401 1.333 10 30 CDEERP C=CCC[NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001667668691 1173309195 /nfs/dbraw/zinc/30/91/95/1173309195.db2.gz FGJPOZQKGJJNMA-UHFFFAOYSA-N 2 0 255.406 1.293 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001669040146 1173496967 /nfs/dbraw/zinc/49/69/67/1173496967.db2.gz UBICJWXJNGMZTQ-PCAWENJQSA-N 2 0 285.819 1.343 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001690633869 1175531576 /nfs/dbraw/zinc/53/15/76/1175531576.db2.gz MACJXAUBRLUDMO-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC=C)CC1 ZINC001725131021 1159136376 /nfs/dbraw/zinc/13/63/76/1159136376.db2.gz SIWBCDAZVBRIRG-ZIAGYGMSSA-N 2 0 277.412 1.000 10 30 CDEERP CC[NH+](CC)C[C@H]1CCN(C(NC2CCC2)=[NH+]C)C1 ZINC000262775488 330030840 /nfs/dbraw/zinc/03/08/40/330030840.db2.gz JENQPENZBWKWKO-CYBMUJFWSA-N 2 0 266.433 1.778 10 30 CDEERP C[NH+](C)CCC1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528351871 330321400 /nfs/dbraw/zinc/32/14/00/330321400.db2.gz JELQYFIJUZFYFU-HNNXBMFYSA-N 2 0 279.428 1.705 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001731593276 1159313449 /nfs/dbraw/zinc/31/34/49/1159313449.db2.gz GJVYAXIAMFLVDO-BFHYXJOUSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CCN(C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001699004785 1176033737 /nfs/dbraw/zinc/03/37/37/1176033737.db2.gz ZOJCXZFHFHBMOF-HUUCEWRRSA-N 2 0 279.428 1.273 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCC)CC1 ZINC001699474114 1159705162 /nfs/dbraw/zinc/70/51/62/1159705162.db2.gz JDCSUOAXSXPIAA-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691504208 1159990440 /nfs/dbraw/zinc/99/04/40/1159990440.db2.gz UFEXPVFXPIMDTK-HDJSIYSDSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)C ZINC001271844151 1160366267 /nfs/dbraw/zinc/36/62/67/1160366267.db2.gz FBRPQUFACGVWDV-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[C@]1(C(=O)NCCC[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662673147 482418498 /nfs/dbraw/zinc/41/84/98/482418498.db2.gz XLZYKIIDEBSAJT-QGZVFWFLSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCOCC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000680133262 483542507 /nfs/dbraw/zinc/54/25/07/483542507.db2.gz HQAPZIKFIHRSIX-UHFFFAOYSA-N 2 0 272.352 1.868 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001700752695 1160875983 /nfs/dbraw/zinc/87/59/83/1160875983.db2.gz PTAXOOOYIJUCJE-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001716221036 1180108927 /nfs/dbraw/zinc/10/89/27/1180108927.db2.gz ZOQZKGPSFQUJCH-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001732188122 1182840657 /nfs/dbraw/zinc/84/06/57/1182840657.db2.gz XJJZKIVRWIWZIV-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C[N@@H+](Cc1ccccc1C#CC[NH3+])C[C@H]1CCCO1 ZINC000049609674 523358970 /nfs/dbraw/zinc/35/89/70/523358970.db2.gz VQARENQAIGPMRZ-MRXNPFEDSA-N 2 0 258.365 1.608 10 30 CDEERP C#CCC[NH+]1CCC(N(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001690029360 1175349853 /nfs/dbraw/zinc/34/98/53/1175349853.db2.gz CHDVCPUUJHRNDW-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001690040339 1175356606 /nfs/dbraw/zinc/35/66/06/1175356606.db2.gz UYDLJMNZGGCMHL-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000939806253 612976086 /nfs/dbraw/zinc/97/60/86/612976086.db2.gz FASOOOUVWKHKIE-PBHICJAKSA-N 2 0 299.418 1.432 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940753073 613784286 /nfs/dbraw/zinc/78/42/86/613784286.db2.gz JNUWZHMWTHGHGG-KFWWJZLASA-N 2 0 293.455 1.729 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](CCC)CC1 ZINC000899987681 622605958 /nfs/dbraw/zinc/60/59/58/622605958.db2.gz LOALUHKKCBRXGP-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCc1ccccc1C[NH+](C)C ZINC000899990516 622607809 /nfs/dbraw/zinc/60/78/09/622607809.db2.gz MZPSNXNZKJOSDW-UHFFFAOYSA-N 2 0 289.423 1.872 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000900208498 622804008 /nfs/dbraw/zinc/80/40/08/622804008.db2.gz KBFBJFQQUCKMQF-CYBMUJFWSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[C@@H]1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903769355 626085813 /nfs/dbraw/zinc/08/58/13/626085813.db2.gz DKASZMSUALKBMB-RBSFLKMASA-N 2 0 250.386 1.653 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000912053093 629757532 /nfs/dbraw/zinc/75/75/32/629757532.db2.gz XNRJZFBVOQZQRQ-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000912602562 630093936 /nfs/dbraw/zinc/09/39/36/630093936.db2.gz VULMGRIWKDVVDH-STQMWFEESA-N 2 0 265.401 1.093 10 30 CDEERP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266859053 1158913072 /nfs/dbraw/zinc/91/30/72/1158913072.db2.gz WRFPEFORTGFGPL-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001691184527 1158948613 /nfs/dbraw/zinc/94/86/13/1158948613.db2.gz OTJJWWYZRQDPAI-VGWMRTNUSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001266979259 1159040118 /nfs/dbraw/zinc/04/01/18/1159040118.db2.gz BEHZUIGZDVKFMQ-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@H](C)CC)CC1 ZINC001772517093 1158551658 /nfs/dbraw/zinc/55/16/58/1158551658.db2.gz JHCRPTPRNYDPDK-HUUCEWRRSA-N 2 0 293.455 1.472 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001691105332 1158910699 /nfs/dbraw/zinc/91/06/99/1158910699.db2.gz ACYVWWOTPXXAGE-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001700544926 1160696940 /nfs/dbraw/zinc/69/69/40/1160696940.db2.gz DAJRQYQGUYBQOA-ZIAGYGMSSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001567154270 1168599972 /nfs/dbraw/zinc/59/99/72/1168599972.db2.gz CJRXEDXIHMTVKH-INIZCTEOSA-N 2 0 299.418 1.433 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001568870920 1169527600 /nfs/dbraw/zinc/52/76/00/1169527600.db2.gz HXZXZKATIWLGMF-PLNGDYQASA-N 2 0 289.423 1.148 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001569030143 1169604203 /nfs/dbraw/zinc/60/42/03/1169604203.db2.gz FGNXNSYTEDDTCW-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001569671618 1169963289 /nfs/dbraw/zinc/96/32/89/1169963289.db2.gz QUBUDMXXESTVFC-GDBMZVCRSA-N 2 0 297.418 1.128 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001570118739 1170085932 /nfs/dbraw/zinc/08/59/32/1170085932.db2.gz HAUMDTYNVLJZLL-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001570652366 1170222948 /nfs/dbraw/zinc/22/29/48/1170222948.db2.gz CUIZPNYCZTYDCU-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001571536274 1170469091 /nfs/dbraw/zinc/46/90/91/1170469091.db2.gz MUQOZNCFQPEDRI-UONOGXRCSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001657079853 1171925999 /nfs/dbraw/zinc/92/59/99/1171925999.db2.gz SEWPSIXVJNMJOT-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001661227364 1172357323 /nfs/dbraw/zinc/35/73/23/1172357323.db2.gz WFLROUAHZBARSZ-CVEARBPZSA-N 2 0 293.455 1.520 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001662325359 1172530447 /nfs/dbraw/zinc/53/04/47/1172530447.db2.gz PZWKWSJKGJYSEY-ZIAGYGMSSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001666619620 1173162556 /nfs/dbraw/zinc/16/25/56/1173162556.db2.gz HFHNPHKWZJDRPQ-CQSZACIVSA-N 2 0 283.460 1.882 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCCF)CC1 ZINC001667058938 1173227948 /nfs/dbraw/zinc/22/79/48/1173227948.db2.gz LOSBMWSAKZDHTN-CQSZACIVSA-N 2 0 297.418 1.128 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001667111743 1173234910 /nfs/dbraw/zinc/23/49/10/1173234910.db2.gz GHDOYMNATTZKIQ-LSDHHAIUSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001672897561 1173807349 /nfs/dbraw/zinc/80/73/49/1173807349.db2.gz SJJQQKPHLSWJRE-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCC1 ZINC001673237895 1173837760 /nfs/dbraw/zinc/83/77/60/1173837760.db2.gz FKUZEKLMSHPPFR-UHFFFAOYSA-N 2 0 279.428 1.677 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001690464045 1175476982 /nfs/dbraw/zinc/47/69/82/1175476982.db2.gz KXSREZRLUDRTGH-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001692325582 1175736902 /nfs/dbraw/zinc/73/69/02/1175736902.db2.gz GTCFLZIANQAYBU-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001698620644 1175875264 /nfs/dbraw/zinc/87/52/64/1175875264.db2.gz HHTSKXLYTNACHY-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001698746672 1175915141 /nfs/dbraw/zinc/91/51/41/1175915141.db2.gz ULDBVKUBEJGJSE-OAHLLOKOSA-N 2 0 291.439 1.629 10 30 CDEERP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)CCC)CC2 ZINC001698812243 1175941963 /nfs/dbraw/zinc/94/19/63/1175941963.db2.gz XPBBQTXOYWREIV-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698947521 1175992840 /nfs/dbraw/zinc/99/28/40/1175992840.db2.gz AQYQBQWCTWSNLA-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CCN(C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001699004784 1176036005 /nfs/dbraw/zinc/03/60/05/1176036005.db2.gz ZOJCXZFHFHBMOF-GJZGRUSLSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001699440561 1176405241 /nfs/dbraw/zinc/40/52/41/1176405241.db2.gz FCOYJKAAOLFVMN-SOUVJXGZSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001699508237 1176453910 /nfs/dbraw/zinc/45/39/10/1176453910.db2.gz ONVUHOBWIGWFTB-GDBMZVCRSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001700110795 1176749255 /nfs/dbraw/zinc/74/92/55/1176749255.db2.gz OUYWRJRQFAGRBG-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001700139665 1176767032 /nfs/dbraw/zinc/76/70/32/1176767032.db2.gz QEAHMSWXMXBVIG-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001700155820 1176775673 /nfs/dbraw/zinc/77/56/73/1176775673.db2.gz OVRFVFOXIJMKNY-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001700224440 1176805728 /nfs/dbraw/zinc/80/57/28/1176805728.db2.gz GCBYNJLUSLNFDM-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001700267053 1176825141 /nfs/dbraw/zinc/82/51/41/1176825141.db2.gz KUKQBAXIHVTKMC-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@@H+](CC)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001700341216 1176860015 /nfs/dbraw/zinc/86/00/15/1176860015.db2.gz KFWNWIBJGJIVPM-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001700531288 1176999897 /nfs/dbraw/zinc/99/98/97/1176999897.db2.gz LKDNEJVUWYRYRA-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001700545402 1177008128 /nfs/dbraw/zinc/00/81/28/1177008128.db2.gz IEYNXJZCRGVALS-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001700574960 1177023245 /nfs/dbraw/zinc/02/32/45/1177023245.db2.gz CRIAKLDHYUKYOA-AWEZNQCLSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001700997125 1177231410 /nfs/dbraw/zinc/23/14/10/1177231410.db2.gz AJDQHHVIEOBXSU-UONOGXRCSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001713121669 1178380355 /nfs/dbraw/zinc/38/03/55/1178380355.db2.gz MIWWWUGXOKUSCE-HOCLYGCPSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713353687 1178516540 /nfs/dbraw/zinc/51/65/40/1178516540.db2.gz WKIAMUMKETZSOL-AWEZNQCLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713755996 1178739623 /nfs/dbraw/zinc/73/96/23/1178739623.db2.gz LVAQKTCIPZXRQX-HNNXBMFYSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714391994 1179120900 /nfs/dbraw/zinc/12/09/00/1179120900.db2.gz YPIALRVMSSHMFZ-ZBFHGGJFSA-N 2 0 293.455 1.636 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001714443427 1179142293 /nfs/dbraw/zinc/14/22/93/1179142293.db2.gz ZXBFPCMEQBCCJE-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714444023 1179142332 /nfs/dbraw/zinc/14/23/32/1179142332.db2.gz KHFKQHFAQBGNPH-GJZGRUSLSA-N 2 0 281.444 1.636 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714444025 1179142621 /nfs/dbraw/zinc/14/26/21/1179142621.db2.gz KHFKQHFAQBGNPH-LSDHHAIUSA-N 2 0 281.444 1.636 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001714509262 1179176790 /nfs/dbraw/zinc/17/67/90/1179176790.db2.gz FUUJLJKSNABSLU-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001714584968 1179242892 /nfs/dbraw/zinc/24/28/92/1179242892.db2.gz JUZPDGOOQLAIRH-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001714620807 1179272640 /nfs/dbraw/zinc/27/26/40/1179272640.db2.gz VZJQZELXEMQZEH-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001714646952 1179294072 /nfs/dbraw/zinc/29/40/72/1179294072.db2.gz QLWAJGYMEKKCQV-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001714652635 1179298143 /nfs/dbraw/zinc/29/81/43/1179298143.db2.gz CHOFVWHHDHHCMF-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001714849308 1179420093 /nfs/dbraw/zinc/42/00/93/1179420093.db2.gz WFPKOFIJRSEMGD-KRWDZBQOSA-N 2 0 299.418 1.551 10 30 CDEERP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001714868461 1179428223 /nfs/dbraw/zinc/42/82/23/1179428223.db2.gz WAPSIGJOBKWNJF-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001714905914 1179446708 /nfs/dbraw/zinc/44/67/08/1179446708.db2.gz BCFBYRDZARICRJ-HUUCEWRRSA-N 2 0 279.428 1.295 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001714918477 1179451634 /nfs/dbraw/zinc/45/16/34/1179451634.db2.gz PTSRKYRKHJFRNC-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001715114002 1179557177 /nfs/dbraw/zinc/55/71/77/1179557177.db2.gz YHWYVATYJWWGCW-FRFSOERESA-N 2 0 293.455 1.777 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001715258225 1179599988 /nfs/dbraw/zinc/59/99/88/1179599988.db2.gz ZZOCBZXSMGUSJB-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715362354 1179642588 /nfs/dbraw/zinc/64/25/88/1179642588.db2.gz LLLXGTWNNKCJCG-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001715406982 1179659737 /nfs/dbraw/zinc/65/97/37/1179659737.db2.gz ZURBQLKEICXXLP-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001715916314 1179911452 /nfs/dbraw/zinc/91/14/52/1179911452.db2.gz WHJPQMMUDLLXRK-KIUWMYQTSA-N 2 0 277.412 1.146 10 30 CDEERP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]21 ZINC001716051052 1180022609 /nfs/dbraw/zinc/02/26/09/1180022609.db2.gz LRJIPPHZJPCLFV-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001716144486 1180070863 /nfs/dbraw/zinc/07/08/63/1180070863.db2.gz DUIZDUPAIKADQK-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001716186970 1180089336 /nfs/dbraw/zinc/08/93/36/1180089336.db2.gz ZOWGUBZQRYFZOG-AWEZNQCLSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001716465680 1180225376 /nfs/dbraw/zinc/22/53/76/1180225376.db2.gz HEIHFNQRVBCMGJ-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716478223 1180241005 /nfs/dbraw/zinc/24/10/05/1180241005.db2.gz OXWRMIQJIAVRIN-HNNXBMFYSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001716482858 1180245014 /nfs/dbraw/zinc/24/50/14/1180245014.db2.gz SGVXSKWGGNCRJN-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001716692085 1180372368 /nfs/dbraw/zinc/37/23/68/1180372368.db2.gz GYYXSVXAPXZLGB-UHFFFAOYSA-N 2 0 265.401 1.143 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001717001532 1180498192 /nfs/dbraw/zinc/49/81/92/1180498192.db2.gz DTMJVBKPVLEETN-BZUAXINKSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001717106765 1180532393 /nfs/dbraw/zinc/53/23/93/1180532393.db2.gz RHWNGAHCHCGJEL-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001717110167 1180532837 /nfs/dbraw/zinc/53/28/37/1180532837.db2.gz BXGFPNAYSKBTMZ-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001717151507 1180549862 /nfs/dbraw/zinc/54/98/62/1180549862.db2.gz RBFIOTDCIVTQRW-ZIAGYGMSSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001717242008 1180586920 /nfs/dbraw/zinc/58/69/20/1180586920.db2.gz JBFUVLGOCPOHFC-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001717374242 1180636373 /nfs/dbraw/zinc/63/63/73/1180636373.db2.gz ONJMWXZFMJVVTH-OAHLLOKOSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001717477007 1180696614 /nfs/dbraw/zinc/69/66/14/1180696614.db2.gz VVZRKSHOZNRSRR-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001717624863 1180762889 /nfs/dbraw/zinc/76/28/89/1180762889.db2.gz UZHXBDDRKRQFRT-XHSDSOJGSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001723544029 1181584941 /nfs/dbraw/zinc/58/49/41/1181584941.db2.gz IWEKJTZTEVSHLE-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001724245824 1181658731 /nfs/dbraw/zinc/65/87/31/1181658731.db2.gz WJOQWDVFQKSAAT-DOTOQJQBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001725191942 1181915692 /nfs/dbraw/zinc/91/56/92/1181915692.db2.gz FSBGVTORMYUODE-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001725248278 1181936361 /nfs/dbraw/zinc/93/63/61/1181936361.db2.gz LVCPBPRAKILXCN-ZFWWWQNUSA-N 2 0 297.418 1.126 10 30 CDEERP C=CC[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725406969 1181991244 /nfs/dbraw/zinc/99/12/44/1181991244.db2.gz FRBBWTHBZFMAGI-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[N@@H+](C)CCN(C(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001725730934 1182114344 /nfs/dbraw/zinc/11/43/44/1182114344.db2.gz LDJZGNHJJHJFEC-UHFFFAOYSA-N 2 0 281.444 1.683 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001731699190 1182522478 /nfs/dbraw/zinc/52/24/78/1182522478.db2.gz LWCVEXXGIPZBQT-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731727609 1182535582 /nfs/dbraw/zinc/53/55/82/1182535582.db2.gz RGJKSQKKRJUGOV-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001731867065 1182637772 /nfs/dbraw/zinc/63/77/72/1182637772.db2.gz QEJLUJGRCTVVCR-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001732209626 1182858965 /nfs/dbraw/zinc/85/89/65/1182858965.db2.gz NWVGPWLILZDYKE-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001732489155 1182987229 /nfs/dbraw/zinc/98/72/29/1182987229.db2.gz STSGISMUWLDRBH-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001732524425 1182996384 /nfs/dbraw/zinc/99/63/84/1182996384.db2.gz BUEYWTCIJFUHKL-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001733009801 1183236750 /nfs/dbraw/zinc/23/67/50/1183236750.db2.gz OFVCXLHMPPJICW-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001733143080 1183305869 /nfs/dbraw/zinc/30/58/69/1183305869.db2.gz BOFWDVOVQLJLRC-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001733144940 1183307159 /nfs/dbraw/zinc/30/71/59/1183307159.db2.gz LGHCPFKEQXYNQE-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001733334720 1183400561 /nfs/dbraw/zinc/40/05/61/1183400561.db2.gz XKDZXDDLSZAGKB-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001733413732 1183425897 /nfs/dbraw/zinc/42/58/97/1183425897.db2.gz QXAMADLXXVUFKJ-INIZCTEOSA-N 2 0 279.428 1.629 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001733853744 1183550478 /nfs/dbraw/zinc/55/04/78/1183550478.db2.gz OEHXUROZZQQINO-CVEARBPZSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)C1 ZINC001733879574 1183556982 /nfs/dbraw/zinc/55/69/82/1183556982.db2.gz SBAXHELPPMHHFI-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733970683 1183594507 /nfs/dbraw/zinc/59/45/07/1183594507.db2.gz HZOKCZUCDMLZIX-HUUCEWRRSA-N 2 0 293.455 1.757 10 30 CDEERP C#CC[NH2+]C1CCC(N(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001734014145 1183614099 /nfs/dbraw/zinc/61/40/99/1183614099.db2.gz XIJAQSSKUJYBLK-UHFFFAOYSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001734451845 1183781891 /nfs/dbraw/zinc/78/18/91/1183781891.db2.gz ZFSRTJFRIWJWBE-ARFHVFGLSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001734456971 1183786269 /nfs/dbraw/zinc/78/62/69/1183786269.db2.gz HRKDKUNYAJDQMC-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC000923494129 736508864 /nfs/dbraw/zinc/50/88/64/736508864.db2.gz VWLSTVOOFWIYBL-KCXAZCMYSA-N 2 0 273.380 1.508 10 30 CDEERP [NH2+]=C(NCCc1cccs1)NCC[NH+]1CCCCC1 ZINC000303784484 737071433 /nfs/dbraw/zinc/07/14/33/737071433.db2.gz PDYIDWGXRMBAML-UHFFFAOYSA-N 2 0 280.441 1.681 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000876771404 737080691 /nfs/dbraw/zinc/08/06/91/737080691.db2.gz RHUDOEYNNMYUQX-PSEXLTFBSA-N 2 0 285.819 1.588 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000877425532 737266918 /nfs/dbraw/zinc/26/69/18/737266918.db2.gz CTDQMDDSWOQEIR-AAEUAGOBSA-N 2 0 293.798 1.936 10 30 CDEERP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000708855985 737750901 /nfs/dbraw/zinc/75/09/01/737750901.db2.gz WQMUBSCEMZBVSP-UGFHNGPFSA-N 2 0 259.353 1.118 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000876799549 737941015 /nfs/dbraw/zinc/94/10/15/737941015.db2.gz HLFFNUREONJGPI-QCNOEVLYSA-N 2 0 271.792 1.042 10 30 CDEERP C=CCCCCC[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878125253 738547301 /nfs/dbraw/zinc/54/73/01/738547301.db2.gz NLUWUMLMHSFGGR-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC1(O)CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000708152471 738775265 /nfs/dbraw/zinc/77/52/65/738775265.db2.gz PTQRQEZZNXPRKO-CQSZACIVSA-N 2 0 250.386 1.321 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000876835755 739087801 /nfs/dbraw/zinc/08/78/01/739087801.db2.gz BHYNQSBZDVPGRT-CQSZACIVSA-N 2 0 295.814 1.834 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+](CC)CC ZINC000876733006 736550046 /nfs/dbraw/zinc/55/00/46/736550046.db2.gz LXCFQAQKWCKMDD-GHMZBOCLSA-N 2 0 261.797 1.303 10 30 CDEERP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]([NH3+])CCCCC#N ZINC000720886441 737025212 /nfs/dbraw/zinc/02/52/12/737025212.db2.gz GTFUDZOXCSDHJW-MELADBBJSA-N 2 0 278.400 1.093 10 30 CDEERP C[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccs1 ZINC000261980057 737448439 /nfs/dbraw/zinc/44/84/39/737448439.db2.gz HSAUJRDWYDJKCH-NSHDSACASA-N 2 0 266.414 1.289 10 30 CDEERP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000875621881 737666899 /nfs/dbraw/zinc/66/68/99/737666899.db2.gz BTWXSAQOJHBNQV-UHFFFAOYSA-N 2 0 294.443 1.067 10 30 CDEERP C=CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000878198594 738266729 /nfs/dbraw/zinc/26/67/29/738266729.db2.gz NMRQRLQMFCLCNL-KBPBESRZSA-N 2 0 265.401 1.189 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001671142682 1167302009 /nfs/dbraw/zinc/30/20/09/1167302009.db2.gz YRBAPVZSZOUZOF-CQSZACIVSA-N 2 0 293.455 1.968 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001568411454 1167531134 /nfs/dbraw/zinc/53/11/34/1167531134.db2.gz DTCKVVMHLBANFW-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566895956 1168459043 /nfs/dbraw/zinc/45/90/43/1168459043.db2.gz STBSXIOSLHZQAS-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001566909905 1168463059 /nfs/dbraw/zinc/46/30/59/1168463059.db2.gz HWTRLTJPYRNRKV-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+](C)C(C)C ZINC001567266132 1168643260 /nfs/dbraw/zinc/64/32/60/1168643260.db2.gz GSRJDTYEBUAOFI-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001266362670 894569301 /nfs/dbraw/zinc/56/93/01/894569301.db2.gz PMOLVJPAUPPMIO-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266439689 894906562 /nfs/dbraw/zinc/90/65/62/894906562.db2.gz UOAUFWLUAZHHMA-HIFRSBDPSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001266483283 895030497 /nfs/dbraw/zinc/03/04/97/895030497.db2.gz SFEUKMBJPJZZSL-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001266579354 895432376 /nfs/dbraw/zinc/43/23/76/895432376.db2.gz OUXABPDVHWAVOK-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+](C)C(C)C ZINC001267181876 897034479 /nfs/dbraw/zinc/03/44/79/897034479.db2.gz PNGBMIOPCASGEU-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH+](C)CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001480934109 897677730 /nfs/dbraw/zinc/67/77/30/897677730.db2.gz AUITXAZOROFLNV-MRXNPFEDSA-N 2 0 287.407 1.361 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001267420090 897879037 /nfs/dbraw/zinc/87/90/37/897879037.db2.gz UZYHIUPBJAFVOL-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001267584832 898558615 /nfs/dbraw/zinc/55/86/15/898558615.db2.gz JMIIBGHGMIXCMM-CQSZACIVSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001481066878 898725579 /nfs/dbraw/zinc/72/55/79/898725579.db2.gz ICVJNEHXIBEGLX-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001267632149 899093284 /nfs/dbraw/zinc/09/32/84/899093284.db2.gz QOMOKUGKNPCEIK-CABCVRRESA-N 2 0 290.411 1.991 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267989084 900204331 /nfs/dbraw/zinc/20/43/31/900204331.db2.gz FPMXINSLGQWPRT-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267988924 900205921 /nfs/dbraw/zinc/20/59/21/900205921.db2.gz BYTFNTOLBKQFPB-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001567709443 1168931371 /nfs/dbraw/zinc/93/13/71/1168931371.db2.gz ORJLEMSZXOCIHX-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001268140615 901397736 /nfs/dbraw/zinc/39/77/36/901397736.db2.gz ILWKXMZPHKCLHL-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CCN(C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001268251820 901671305 /nfs/dbraw/zinc/67/13/05/901671305.db2.gz IVBZYNBBFCDXNW-UHFFFAOYSA-N 2 0 279.428 1.132 10 30 CDEERP C=CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@H]21 ZINC001268270821 901716919 /nfs/dbraw/zinc/71/69/19/901716919.db2.gz QHBDZWUDROOPFN-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001481694821 901819410 /nfs/dbraw/zinc/81/94/10/901819410.db2.gz RRVRDNXLFSUJCY-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001481869834 902244636 /nfs/dbraw/zinc/24/46/36/902244636.db2.gz JSOUTCXDQYIDDA-INIZCTEOSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001482004718 902463436 /nfs/dbraw/zinc/46/34/36/902463436.db2.gz ULGFJDMMONQQDP-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001482026456 902483015 /nfs/dbraw/zinc/48/30/15/902483015.db2.gz LBBCRZTXIQPHNK-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001482235589 904004813 /nfs/dbraw/zinc/00/48/13/904004813.db2.gz LDAFCNFAFNTFQS-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001270304281 904518523 /nfs/dbraw/zinc/51/85/23/904518523.db2.gz QYZJWGOCNRGDAK-CQSZACIVSA-N 2 0 265.401 1.239 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001482353237 905174945 /nfs/dbraw/zinc/17/49/45/905174945.db2.gz FZTJDWISUVBPJX-QWHCGFSZSA-N 2 0 255.406 1.339 10 30 CDEERP C=CCCC[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001482963587 908544973 /nfs/dbraw/zinc/54/49/73/908544973.db2.gz NBYUKOFBWHJNIA-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083483 909300994 /nfs/dbraw/zinc/30/09/94/909300994.db2.gz KMTOHAWTXGDKPY-IHWYPQMZSA-N 2 0 283.803 1.097 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483339645 910933003 /nfs/dbraw/zinc/93/30/03/910933003.db2.gz JKWAIWJTUKADEW-MGPQQGTHSA-N 2 0 267.417 1.339 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001483349447 910952347 /nfs/dbraw/zinc/95/23/47/910952347.db2.gz OGRJZNNWGSORQV-KGLIPLIRSA-N 2 0 267.417 1.032 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001483383731 911028458 /nfs/dbraw/zinc/02/84/58/911028458.db2.gz JGUBBPQXQTVSQX-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001484619185 915956555 /nfs/dbraw/zinc/95/65/55/915956555.db2.gz BISMMSHDWBKZDG-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001484660690 916010444 /nfs/dbraw/zinc/01/04/44/916010444.db2.gz MQCCTAWELBBGQE-UHFFFAOYSA-N 2 0 291.439 1.677 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001484897168 916252656 /nfs/dbraw/zinc/25/26/56/916252656.db2.gz HLRWKZTVHLXOAM-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001485827205 918944640 /nfs/dbraw/zinc/94/46/40/918944640.db2.gz ONYZRTJBQCIZNE-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC)C(C)(C)C)CC1 ZINC001486425342 920999219 /nfs/dbraw/zinc/99/92/19/920999219.db2.gz YPTCPHQGVLTNFG-HNNXBMFYSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001486462696 921044041 /nfs/dbraw/zinc/04/40/41/921044041.db2.gz SKJYLGHHIYAPSB-SSHXOBKSSA-N 2 0 291.439 1.319 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001490960151 936835327 /nfs/dbraw/zinc/83/53/27/936835327.db2.gz MPDWGQMCWGTDPP-SHTZXODSSA-N 2 0 277.412 1.123 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001491185192 936870455 /nfs/dbraw/zinc/87/04/55/936870455.db2.gz IPQFHEWPQSXKAB-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001568417427 1169278234 /nfs/dbraw/zinc/27/82/34/1169278234.db2.gz XOIPFOLXISQRQY-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[NH2+]C1(CC)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001273782517 925692927 /nfs/dbraw/zinc/69/29/27/925692927.db2.gz JJWOOPWNFLUUGK-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001273365508 926451458 /nfs/dbraw/zinc/45/14/58/926451458.db2.gz IMFDCJFXNDKDOH-OAHLLOKOSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001488871942 926729739 /nfs/dbraw/zinc/72/97/39/926729739.db2.gz HFOPNDPGFJOWAI-KKUMJFAQSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001279182851 931133561 /nfs/dbraw/zinc/13/35/61/931133561.db2.gz MIKDXCQWYOQZBJ-GJZGRUSLSA-N 2 0 279.428 1.036 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001274608421 931518579 /nfs/dbraw/zinc/51/85/79/931518579.db2.gz FUZARWJRDAFHGH-NFAHFFEMSA-N 2 0 277.412 1.002 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001276910453 941691136 /nfs/dbraw/zinc/69/11/36/941691136.db2.gz ZMYYGMCLDDTJEY-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001281047158 942531421 /nfs/dbraw/zinc/53/14/21/942531421.db2.gz SOAYUEWMPDLLBL-HNNXBMFYSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001281682622 942609242 /nfs/dbraw/zinc/60/92/42/942609242.db2.gz FOSICSMYFQLHFM-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001282335795 942690742 /nfs/dbraw/zinc/69/07/42/942690742.db2.gz SLLJRPWSIGQTLA-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001284247397 943129283 /nfs/dbraw/zinc/12/92/83/943129283.db2.gz YZVOGPLVIYFADE-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001284725681 943248330 /nfs/dbraw/zinc/24/83/30/943248330.db2.gz BQKGPGPMADNAOW-GOEBONIOSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001284751540 943254105 /nfs/dbraw/zinc/25/41/05/943254105.db2.gz XHTKRECNQQMPGN-JXQTWKCFSA-N 2 0 265.401 1.236 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001284921094 943289396 /nfs/dbraw/zinc/28/93/96/943289396.db2.gz QSRSFEFOOHTFNE-OAHLLOKOSA-N 2 0 297.418 1.601 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001264376835 944119937 /nfs/dbraw/zinc/11/99/37/944119937.db2.gz PIHLOEKDSYRYGG-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001264376834 944120300 /nfs/dbraw/zinc/12/03/00/944120300.db2.gz PIHLOEKDSYRYGG-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001264739046 944172477 /nfs/dbraw/zinc/17/24/77/944172477.db2.gz OOZGLTHEVHZFJF-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001265091247 944226115 /nfs/dbraw/zinc/22/61/15/944226115.db2.gz DEFHTAABWZULAO-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001265596786 944442379 /nfs/dbraw/zinc/44/23/79/944442379.db2.gz KLNOKZHXZQVAFE-HNNXBMFYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001265596986 944442484 /nfs/dbraw/zinc/44/24/84/944442484.db2.gz OAFZZMXJSOVWOU-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001265682559 944468308 /nfs/dbraw/zinc/46/83/08/944468308.db2.gz UGGKESDTECADHH-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001265952593 944594871 /nfs/dbraw/zinc/59/48/71/944594871.db2.gz QTRWACCGXHQSSA-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001479527050 971337310 /nfs/dbraw/zinc/33/73/10/971337310.db2.gz YPGOCUBDVIJRIG-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001568970152 1169567773 /nfs/dbraw/zinc/56/77/73/1169567773.db2.gz TYBOZPPNSTTYAM-YOVCOIKASA-N 2 0 279.428 1.697 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001568969955 1169568107 /nfs/dbraw/zinc/56/81/07/1169568107.db2.gz RIZSJEZBMHECNW-GEXIGZQTSA-N 2 0 299.846 1.875 10 30 CDEERP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278399455 947562563 /nfs/dbraw/zinc/56/25/63/947562563.db2.gz YSYWSWAQIPNQCW-UONOGXRCSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001278467649 948464353 /nfs/dbraw/zinc/46/43/53/948464353.db2.gz SUTAJRTYBSQJFC-GOEBONIOSA-N 2 0 279.428 1.626 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001480233387 971640006 /nfs/dbraw/zinc/64/00/06/971640006.db2.gz ZBDUGYLRFGSGDV-WCVJEAGWSA-N 2 0 291.439 1.367 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001480304029 971662992 /nfs/dbraw/zinc/66/29/92/971662992.db2.gz VXOFRXFJWKXAGN-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001480768334 971871243 /nfs/dbraw/zinc/87/12/43/971871243.db2.gz GPYNUZMSKZSLJM-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480794210 971882900 /nfs/dbraw/zinc/88/29/00/971882900.db2.gz WQNFDTUOURCWFT-HOTGVXAUSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCC[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001569146268 1169688404 /nfs/dbraw/zinc/68/84/04/1169688404.db2.gz BBNQIGGWVCPDNU-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001493028429 971927849 /nfs/dbraw/zinc/92/78/49/971927849.db2.gz BMHVFXGRRKSJOJ-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001324620693 953477600 /nfs/dbraw/zinc/47/76/00/953477600.db2.gz TVXSIDVGAHXDIX-OAHLLOKOSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001324661162 953502877 /nfs/dbraw/zinc/50/28/77/953502877.db2.gz LXZVOMIHRNVLLC-HOCLYGCPSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001324903560 953627094 /nfs/dbraw/zinc/62/70/94/953627094.db2.gz ANFYXSYDMUJZAD-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2ccnc2C)C1 ZINC001325465019 953914349 /nfs/dbraw/zinc/91/43/49/953914349.db2.gz DTJCARFACPZZFC-DZGCQCFKSA-N 2 0 290.411 1.594 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001325469372 953915684 /nfs/dbraw/zinc/91/56/84/953915684.db2.gz XYLAEXFJHXLIDC-GXTWGEPZSA-N 2 0 290.411 1.663 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001480651725 955889580 /nfs/dbraw/zinc/88/95/80/955889580.db2.gz METXIEAYPVPOTH-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[NH+](C)C ZINC001422555077 956148687 /nfs/dbraw/zinc/14/86/87/956148687.db2.gz WFMWYJHPEYRFKX-CYBMUJFWSA-N 2 0 288.395 1.104 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001494082791 972171783 /nfs/dbraw/zinc/17/17/83/972171783.db2.gz JAILJOPEKZXGAO-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001494136699 972184300 /nfs/dbraw/zinc/18/43/00/972184300.db2.gz GJVHUXFYWXNPSM-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001423052956 956545206 /nfs/dbraw/zinc/54/52/06/956545206.db2.gz DIOKTHZDJLENMJ-ZDUSSCGKSA-N 2 0 287.835 1.564 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001330668183 956552617 /nfs/dbraw/zinc/55/26/17/956552617.db2.gz STTIVFHCUWMACE-WKILWMFISA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001330857849 956666989 /nfs/dbraw/zinc/66/69/89/956666989.db2.gz IRARMPWONFFXKZ-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001331203686 956885227 /nfs/dbraw/zinc/88/52/27/956885227.db2.gz YRSVGCYOKRHDLY-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001331476142 957089803 /nfs/dbraw/zinc/08/98/03/957089803.db2.gz TYOVGCGTONKGHA-KGLIPLIRSA-N 2 0 269.433 1.585 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001331920011 957336856 /nfs/dbraw/zinc/33/68/56/957336856.db2.gz UINAPRNIKLCNPK-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CCC)CC1 ZINC001317416311 957461192 /nfs/dbraw/zinc/46/11/92/957461192.db2.gz UCPIRWMPVBRFPK-CQSZACIVSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001332217113 957480727 /nfs/dbraw/zinc/48/07/27/957480727.db2.gz GJAZOSWHECSGHP-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001332325923 957518762 /nfs/dbraw/zinc/51/87/62/957518762.db2.gz DBCGDFBEDQZBAK-JKSUJKDBSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001317513889 957522146 /nfs/dbraw/zinc/52/21/46/957522146.db2.gz ZUIPCVJAPCNWBC-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001317558026 957552088 /nfs/dbraw/zinc/55/20/88/957552088.db2.gz BFKSJCGRCJLDHH-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001317561036 957556541 /nfs/dbraw/zinc/55/65/41/957556541.db2.gz FHKSQJCQRXDMOB-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001317863123 957700339 /nfs/dbraw/zinc/70/03/39/957700339.db2.gz KUYYYQGFTNSIEA-INIZCTEOSA-N 2 0 291.439 1.276 10 30 CDEERP C#CC[NH+](C)CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001317880126 957709240 /nfs/dbraw/zinc/70/92/40/957709240.db2.gz RRWIXIBNRAZSKA-HNNXBMFYSA-N 2 0 291.439 1.132 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001494918839 972336719 /nfs/dbraw/zinc/33/67/19/972336719.db2.gz MVJSESLRJBWTJL-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001319086017 958371758 /nfs/dbraw/zinc/37/17/58/958371758.db2.gz ZLJVWFDBXHNZFH-OAHLLOKOSA-N 2 0 291.439 1.629 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001368108600 958641607 /nfs/dbraw/zinc/64/16/07/958641607.db2.gz QKFYBJCPKBXERK-JSGCOSHPSA-N 2 0 299.846 1.661 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001320440628 959174448 /nfs/dbraw/zinc/17/44/48/959174448.db2.gz UXKZBJRWUCYQBZ-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001320801157 959399691 /nfs/dbraw/zinc/39/96/91/959399691.db2.gz AMZNHWOCNLZHNX-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001321063593 959569012 /nfs/dbraw/zinc/56/90/12/959569012.db2.gz HZYAGEAKPNIDLF-VOTSOKGWSA-N 2 0 277.412 1.146 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001321097842 959590287 /nfs/dbraw/zinc/59/02/87/959590287.db2.gz QTYHGSJGBKZECC-RDFMZFSFSA-N 2 0 299.846 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001321756096 959932483 /nfs/dbraw/zinc/93/24/83/959932483.db2.gz JBPLUCUYKBEOEX-CYBMUJFWSA-N 2 0 253.390 1.143 10 30 CDEERP C=CCCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001495298765 972468010 /nfs/dbraw/zinc/46/80/10/972468010.db2.gz KGVYHIDCHVRKHY-PBHICJAKSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001322247702 960149243 /nfs/dbraw/zinc/14/92/43/960149243.db2.gz HOBMGNUVRPAFBV-MGPQQGTHSA-N 2 0 290.411 1.536 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1CC ZINC001323158860 960487957 /nfs/dbraw/zinc/48/79/57/960487957.db2.gz JVEZOTXRKHQHSF-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1CC ZINC001323165425 960491032 /nfs/dbraw/zinc/49/10/32/960491032.db2.gz ZPDPELUHCNVKOB-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001323165468 960491502 /nfs/dbraw/zinc/49/15/02/960491502.db2.gz ZZBDLOLXSPJYGF-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH+]1CCC(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001495536942 972531008 /nfs/dbraw/zinc/53/10/08/972531008.db2.gz WBGRSIGYJBBKHD-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001438427892 963444604 /nfs/dbraw/zinc/44/46/04/963444604.db2.gz DULJPOQPUWIJKS-IUODEOHRSA-N 2 0 299.846 1.565 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001341716582 963520584 /nfs/dbraw/zinc/52/05/84/963520584.db2.gz IVAYWPYTLIDJNT-RDBSUJKOSA-N 2 0 267.417 1.611 10 30 CDEERP C#CC[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001343355956 963959330 /nfs/dbraw/zinc/95/93/30/963959330.db2.gz JRWWJFTWWVMWFD-UHFFFAOYSA-N 2 0 299.418 1.512 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001446225733 966489297 /nfs/dbraw/zinc/48/92/97/966489297.db2.gz TUGWKKKBJDLUNL-UHFFFAOYSA-N 2 0 299.846 1.852 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001496842189 973117416 /nfs/dbraw/zinc/11/74/16/973117416.db2.gz VEETUIRPBQDWLN-UHFFFAOYSA-N 2 0 267.417 1.439 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497222277 973252014 /nfs/dbraw/zinc/25/20/14/973252014.db2.gz VGVSGPDTFNLHKI-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001497414045 973335325 /nfs/dbraw/zinc/33/53/25/973335325.db2.gz FCPZFBGIRDZXHX-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001502367682 974725085 /nfs/dbraw/zinc/72/50/85/974725085.db2.gz ORXVVWHBFHYKOL-UHFFFAOYSA-N 2 0 279.428 1.132 10 30 CDEERP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001502546780 974748794 /nfs/dbraw/zinc/74/87/94/974748794.db2.gz XTCFWIRPOFQLIH-QGZVFWFLSA-N 2 0 291.439 1.276 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001505529933 974901244 /nfs/dbraw/zinc/90/12/44/974901244.db2.gz RUNMKFGKNIKPMI-UHFFFAOYSA-N 2 0 277.412 1.143 10 30 CDEERP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001506859376 975237488 /nfs/dbraw/zinc/23/74/88/975237488.db2.gz UMNQLHPACPNAQA-ARFHVFGLSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001507329567 975419301 /nfs/dbraw/zinc/41/93/01/975419301.db2.gz WAFCHPNEFXZRBL-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001507402246 975454185 /nfs/dbraw/zinc/45/41/85/975454185.db2.gz XCAQITYTPJISSA-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001508156725 975625166 /nfs/dbraw/zinc/62/51/66/975625166.db2.gz ZLKAOGYZVJXOBG-GPANFISMSA-N 2 0 293.455 1.872 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379250386 975729283 /nfs/dbraw/zinc/72/92/83/975729283.db2.gz ROWPAIVODIGFGY-STQMWFEESA-N 2 0 287.835 1.660 10 30 CDEERP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001675903987 1174163711 /nfs/dbraw/zinc/16/37/11/1174163711.db2.gz PLVRQVCBSVADDK-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001676766468 1174269905 /nfs/dbraw/zinc/26/99/05/1174269905.db2.gz DWLDTSBVFNCBPM-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001570854391 1170302161 /nfs/dbraw/zinc/30/21/61/1170302161.db2.gz VYNXTLWGKGAJHV-ZFWWWQNUSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001571167467 1170342008 /nfs/dbraw/zinc/34/20/08/1170342008.db2.gz CVIVADONITXBPI-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1C ZINC001571523143 1170461447 /nfs/dbraw/zinc/46/14/47/1170461447.db2.gz ORTVQSWHYQTGNG-LSDHHAIUSA-N 2 0 293.455 1.567 10 30 CDEERP C[C@@H]1CC2(C[N@@H+]1Cc1ccncc1C#N)CC[NH2+]CC2 ZINC000592495278 342696995 /nfs/dbraw/zinc/69/69/95/342696995.db2.gz PLABAYXVAPNHAM-CYBMUJFWSA-N 2 0 270.380 1.917 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000594435854 342899239 /nfs/dbraw/zinc/89/92/39/342899239.db2.gz ANELCBZIBNZQJI-HUUCEWRRSA-N 2 0 292.427 1.484 10 30 CDEERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594440968 342907439 /nfs/dbraw/zinc/90/74/39/342907439.db2.gz KFKANCJTINUMHH-UONOGXRCSA-N 2 0 282.432 1.490 10 30 CDEERP C[C@H]1CN(C)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358182565 373946147 /nfs/dbraw/zinc/94/61/47/373946147.db2.gz COLARZJORUPLLC-WFASDCNBSA-N 2 0 259.353 1.477 10 30 CDEERP CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123572195 375846240 /nfs/dbraw/zinc/84/62/40/375846240.db2.gz AOKZQNIXUKJQHW-YCPHGPKFSA-N 2 0 294.443 1.455 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001662351439 1172535303 /nfs/dbraw/zinc/53/53/03/1172535303.db2.gz VYGYVAKKMOZIPP-CABCVRRESA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001673397400 1172577586 /nfs/dbraw/zinc/57/75/86/1172577586.db2.gz QQCWCFBHNMABCQ-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[C@@]1(C(=O)NC2CCC([NH3+])CC2)CCC[NH2+]1 ZINC000662406151 412972699 /nfs/dbraw/zinc/97/26/99/412972699.db2.gz UTVYDKWLNKQWGY-YIZWMMSDSA-N 2 0 251.374 1.071 10 30 CDEERP C=CC[C@]1(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000662427497 413007354 /nfs/dbraw/zinc/00/73/54/413007354.db2.gz HZIKVAYYGDCRRT-UKRRQHHQSA-N 2 0 267.417 1.517 10 30 CDEERP C=CC[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001663287931 1172666925 /nfs/dbraw/zinc/66/69/25/1172666925.db2.gz DEPDJFBDXSKNIQ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001663381858 1172683910 /nfs/dbraw/zinc/68/39/10/1172683910.db2.gz SPLXMJBWDHTSQJ-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP COc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])ccc1C#N ZINC000423121403 392958300 /nfs/dbraw/zinc/95/83/00/392958300.db2.gz IQYKECTUKZIFBW-BYCMXARLSA-N 2 0 289.379 1.409 10 30 CDEERP COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1C#N ZINC000423121405 392958318 /nfs/dbraw/zinc/95/83/18/392958318.db2.gz IQYKECTUKZIFBW-NILFDRSVSA-N 2 0 289.379 1.409 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001664036696 1172803753 /nfs/dbraw/zinc/80/37/53/1172803753.db2.gz QTVRXGHYJDLMHH-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001664854509 1172920360 /nfs/dbraw/zinc/92/03/60/1172920360.db2.gz PYHJZBAUCFCNQK-OAHLLOKOSA-N 2 0 279.428 1.132 10 30 CDEERP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001665425128 1172993977 /nfs/dbraw/zinc/99/39/77/1172993977.db2.gz JKGAXHNATDZKMH-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C[NH+](C)CC1CC[NH+](Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043684072 175091804 /nfs/dbraw/zinc/09/18/04/175091804.db2.gz FENOJLJUDCUNCM-UHFFFAOYSA-N 3 0 291.464 1.832 10 30 CDEERP COC1CC[NH+](Cc2sccc2C#CC[NH3+])CC1 ZINC000043683674 175092254 /nfs/dbraw/zinc/09/22/54/175092254.db2.gz SEOCUDRKEZKRAX-UHFFFAOYSA-N 2 0 264.394 1.669 10 30 CDEERP CN(Cc1sccc1C#CC[NH3+])C[C@H]1CC[N@H+](C)C1 ZINC000071190471 176066065 /nfs/dbraw/zinc/06/60/65/176066065.db2.gz HIIHPZSOVULISQ-ZDUSSCGKSA-N 2 0 277.437 1.442 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652147438 423887437 /nfs/dbraw/zinc/88/74/37/423887437.db2.gz UJQMUFPGLLACKP-UHFFFAOYSA-N 2 0 294.443 1.455 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662682235 424311772 /nfs/dbraw/zinc/31/17/72/424311772.db2.gz OXSRYXBJNPTEFX-CJNGLKHVSA-N 2 0 277.412 1.285 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662701752 424341691 /nfs/dbraw/zinc/34/16/91/424341691.db2.gz UXBJEWMAQOVGOJ-RDJZCZTQSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H](C)C[N@@H+](C)CCCC)CCC[NH2+]1 ZINC000662791307 424480288 /nfs/dbraw/zinc/48/02/88/424480288.db2.gz JIYTYJSXBXMQBP-HOCLYGCPSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001668464111 1173417953 /nfs/dbraw/zinc/41/79/53/1173417953.db2.gz DNDMUPDELSOXEZ-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668833786 1173471743 /nfs/dbraw/zinc/47/17/43/1173471743.db2.gz KJMDYTBLXDVWDP-UUWJMPJDSA-N 2 0 293.455 1.943 10 30 CDEERP C[C@@H]1CN(C(=[NH2+])NC[C@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC000262305313 330005084 /nfs/dbraw/zinc/00/50/84/330005084.db2.gz AIAXZLDNKFHMCF-CHWSQXEVSA-N 2 0 282.432 1.142 10 30 CDEERP CC(C)[NH+](CCNC(=[NH2+])N1CCO[C@H](C)C1)C(C)C ZINC000262468636 330015377 /nfs/dbraw/zinc/01/53/77/330015377.db2.gz OGQDHDZCZBLCHW-CYBMUJFWSA-N 2 0 270.421 1.141 10 30 CDEERP [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000262845611 330035162 /nfs/dbraw/zinc/03/51/62/330035162.db2.gz RRHZMMBHHNJYNC-KBPBESRZSA-N 2 0 280.416 1.087 10 30 CDEERP N#C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000442721922 330780741 /nfs/dbraw/zinc/78/07/41/330780741.db2.gz WLJRQEVOBLRENX-KGLIPLIRSA-N 2 0 251.374 1.381 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CCC[NH2+]1 ZINC000662804031 482430577 /nfs/dbraw/zinc/43/05/77/482430577.db2.gz NVZNMOFNDCAYCQ-ZMSDIMECSA-N 2 0 291.439 1.627 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001483016374 1160666035 /nfs/dbraw/zinc/66/60/35/1160666035.db2.gz COOXAOKSHLWNRV-JFDDCEBESA-N 2 0 289.423 1.289 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001715619401 1179737535 /nfs/dbraw/zinc/73/75/35/1179737535.db2.gz IPTXMCXWYRIBFI-CQSZACIVSA-N 2 0 281.444 1.635 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001731987605 1182716129 /nfs/dbraw/zinc/71/61/29/1182716129.db2.gz IYVCHRYZHZCOBT-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP CCC[NH+]1CCN(Cc2ccc(F)c(C#CC[NH3+])c2)CC1 ZINC000049608706 519858982 /nfs/dbraw/zinc/85/89/82/519858982.db2.gz AZHIQOZCGWYBKQ-UHFFFAOYSA-N 2 0 289.398 1.664 10 30 CDEERP CC[NH+]1CCC(C[NH2+]Cc2cccnc2C#N)CC1 ZINC000061658526 521551145 /nfs/dbraw/zinc/55/11/45/521551145.db2.gz DSHWCJMVBPUYKW-UHFFFAOYSA-N 2 0 258.369 1.775 10 30 CDEERP C[NH+](C)C[C@@H]1CCCN1Cc1ccc(F)cc1C#CC[NH3+] ZINC000061652299 521841424 /nfs/dbraw/zinc/84/14/24/521841424.db2.gz GMALRIOAINDEAA-KRWDZBQOSA-N 2 0 289.398 1.662 10 30 CDEERP COCC[NH+](CCOC)Cc1cccc(C#CC[NH3+])c1 ZINC000049609866 523720182 /nfs/dbraw/zinc/72/01/82/523720182.db2.gz PQUBKOOYOQRSHM-UHFFFAOYSA-N 2 0 276.380 1.092 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000334892426 526430947 /nfs/dbraw/zinc/43/09/47/526430947.db2.gz NGPDCXJSKPCSPF-UKRRQHHQSA-N 2 0 292.427 1.030 10 30 CDEERP [NH3+]CC#Cc1cccc(OCC[NH+]2CCSCC2)c1 ZINC000049608770 527152958 /nfs/dbraw/zinc/15/29/58/527152958.db2.gz SIWLDGKNZQIGBO-UHFFFAOYSA-N 2 0 276.405 1.424 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001689942593 1175318384 /nfs/dbraw/zinc/31/83/84/1175318384.db2.gz LEMPOWIWLOXASJ-UHFFFAOYSA-N 2 0 291.439 1.466 10 30 CDEERP C=C(C)CN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000811650770 617213116 /nfs/dbraw/zinc/21/31/16/617213116.db2.gz PGFQAMFPYZJYOD-UHFFFAOYSA-N 2 0 272.396 1.938 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939246924 613349898 /nfs/dbraw/zinc/34/98/98/613349898.db2.gz LVLNLHANQVUPJZ-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000877266314 618418547 /nfs/dbraw/zinc/41/85/47/618418547.db2.gz QKGVQUGBWSUDEZ-SRVKXCTJSA-N 2 0 271.792 1.057 10 30 CDEERP C=C(C)C[C@H](NCC1CC[NH+](C)CC1)C(=O)OCC ZINC000896004027 619947030 /nfs/dbraw/zinc/94/70/30/619947030.db2.gz OTQOWQVIAYRIGB-AWEZNQCLSA-N 2 0 268.401 1.816 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000900219184 622811683 /nfs/dbraw/zinc/81/16/83/622811683.db2.gz SFQHEWWTRKOKIQ-HUUCEWRRSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000900338476 622886913 /nfs/dbraw/zinc/88/69/13/622886913.db2.gz WNRKGNQPEGLELQ-UHFFFAOYSA-N 2 0 289.423 1.743 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000900892103 623613515 /nfs/dbraw/zinc/61/35/15/623613515.db2.gz VINLUMZSZOQZOO-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000907782398 627833288 /nfs/dbraw/zinc/83/32/88/627833288.db2.gz HHZXACPVVBQNGU-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000917097835 632148450 /nfs/dbraw/zinc/14/84/50/632148450.db2.gz KLZQDGXJGISNCJ-ZFWWWQNUSA-N 2 0 294.443 1.419 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001691980048 1158533927 /nfs/dbraw/zinc/53/39/27/1158533927.db2.gz WDEDCHYLPHQLQY-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001699933690 1158848113 /nfs/dbraw/zinc/84/81/13/1158848113.db2.gz JABRUKXJIGCTHP-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001266979181 1159039465 /nfs/dbraw/zinc/03/94/65/1159039465.db2.gz ZGRYQMBIYXOPBN-AWEZNQCLSA-N 2 0 287.407 1.479 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001725111867 1159106625 /nfs/dbraw/zinc/10/66/25/1159106625.db2.gz RYAMYOKQMOQJPE-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001690355842 1175447923 /nfs/dbraw/zinc/44/79/23/1175447923.db2.gz NQYKHDGDSDGJJN-BETUJISGSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001716170911 1159791741 /nfs/dbraw/zinc/79/17/41/1159791741.db2.gz UKTVHNMHNKAQNE-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482058408 1159970750 /nfs/dbraw/zinc/97/07/50/1159970750.db2.gz BYSLPLZKTMEVLQ-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001632949995 1166387908 /nfs/dbraw/zinc/38/79/08/1166387908.db2.gz JMXGGRUFDSQXGB-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001566732566 1168033472 /nfs/dbraw/zinc/03/34/72/1168033472.db2.gz DOZGSWLIYLCROH-HOTGVXAUSA-N 2 0 293.455 1.777 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001566893492 1168040046 /nfs/dbraw/zinc/04/00/46/1168040046.db2.gz IWSDPBFORGSZOU-ZBFHGGJFSA-N 2 0 291.439 1.342 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001566794859 1168424649 /nfs/dbraw/zinc/42/46/49/1168424649.db2.gz LBWSVULVYPZGCA-HDJSIYSDSA-N 2 0 277.412 1.428 10 30 CDEERP C=CCC[NH+]1CC[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001567708919 1168930386 /nfs/dbraw/zinc/93/03/86/1168930386.db2.gz CWHXBTWTBWLMMW-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001567964906 1169098578 /nfs/dbraw/zinc/09/85/78/1169098578.db2.gz PRZFEMKUBOVZBN-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001671243177 1169248067 /nfs/dbraw/zinc/24/80/67/1169248067.db2.gz BGWWZLVQAKUHPT-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568532683 1169351975 /nfs/dbraw/zinc/35/19/75/1169351975.db2.gz HVASTEUTGCHBSZ-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001569363221 1169804913 /nfs/dbraw/zinc/80/49/13/1169804913.db2.gz OVNLDMNTEBRDFF-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001570532674 1170181976 /nfs/dbraw/zinc/18/19/76/1170181976.db2.gz LDAIWCIORWFPGT-OAHLLOKOSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001571351495 1170379212 /nfs/dbraw/zinc/37/92/12/1170379212.db2.gz WYKBGOZXIKCTAG-HUUCEWRRSA-N 2 0 279.428 1.082 10 30 CDEERP C#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001571501179 1170456727 /nfs/dbraw/zinc/45/67/27/1170456727.db2.gz NOZZXBBZSVCVHV-NVXWUHKLSA-N 2 0 289.423 1.217 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001656109892 1171769879 /nfs/dbraw/zinc/76/98/79/1171769879.db2.gz UCCFYENYCFDIHL-AWEZNQCLSA-N 2 0 265.401 1.191 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001657022300 1171916522 /nfs/dbraw/zinc/91/65/22/1171916522.db2.gz WFLSSGZEQGXFHF-CABCVRRESA-N 2 0 291.439 1.627 10 30 CDEERP C=CC[NH+](CCNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001663731521 1172754132 /nfs/dbraw/zinc/75/41/32/1172754132.db2.gz ZQKXNPCBBNFGPN-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001663748583 1172756314 /nfs/dbraw/zinc/75/63/14/1172756314.db2.gz AFXKBTYKJLAHRL-KBPBESRZSA-N 2 0 279.428 1.483 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001668898705 1173477717 /nfs/dbraw/zinc/47/77/17/1173477717.db2.gz CENJQFMZDHCJFW-AATRIKPKSA-N 2 0 296.374 1.542 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001671368018 1173679681 /nfs/dbraw/zinc/67/96/81/1173679681.db2.gz CMFCBXMKKFNHTE-CQSZACIVSA-N 2 0 277.412 1.239 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001674720997 1173996054 /nfs/dbraw/zinc/99/60/54/1173996054.db2.gz FDYDYCLVQHMSCF-STQMWFEESA-N 2 0 255.406 1.387 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691752563 1174033330 /nfs/dbraw/zinc/03/33/30/1174033330.db2.gz MNDOHUJKFCCHSF-KFWWJZLASA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001690501094 1175483621 /nfs/dbraw/zinc/48/36/21/1175483621.db2.gz GVLQEMBQHMDVLX-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001690718422 1175554772 /nfs/dbraw/zinc/55/47/72/1175554772.db2.gz HAXZSXZWYCFGQU-CQSZACIVSA-N 2 0 296.374 1.328 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001690849131 1175589110 /nfs/dbraw/zinc/58/91/10/1175589110.db2.gz UAYLUUGHDPGWLM-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001698732827 1175907738 /nfs/dbraw/zinc/90/77/38/1175907738.db2.gz VYXOFUZDSRGYJR-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001698861854 1175968556 /nfs/dbraw/zinc/96/85/56/1175968556.db2.gz SUJUAJQEMIJSAC-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001698941398 1175990699 /nfs/dbraw/zinc/99/06/99/1175990699.db2.gz WTWSLHAUZQBMLX-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001699004545 1176035943 /nfs/dbraw/zinc/03/59/43/1176035943.db2.gz VJYONVFCJTXWPM-UHFFFAOYSA-N 2 0 277.412 1.028 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001699028939 1176048781 /nfs/dbraw/zinc/04/87/81/1176048781.db2.gz NTRXCOMCDWVKLV-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001699141788 1176110738 /nfs/dbraw/zinc/11/07/38/1176110738.db2.gz KZFQRGDCCFTZFP-CHWSQXEVSA-N 2 0 278.400 1.649 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001699373472 1176328918 /nfs/dbraw/zinc/32/89/18/1176328918.db2.gz DTIVSGMPSUYVII-BFHYXJOUSA-N 2 0 267.417 1.530 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001699838995 1176651756 /nfs/dbraw/zinc/65/17/56/1176651756.db2.gz WVBOUCALPUNYSF-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001699967707 1176700528 /nfs/dbraw/zinc/70/05/28/1176700528.db2.gz BESDSXVBZGBGGH-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001700184920 1176788068 /nfs/dbraw/zinc/78/80/68/1176788068.db2.gz QDMXGUGHLHLSRL-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001700193171 1176793714 /nfs/dbraw/zinc/79/37/14/1176793714.db2.gz QKJDKBLYONXNTL-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001700753435 1177113591 /nfs/dbraw/zinc/11/35/91/1177113591.db2.gz XQRHCOWGOKBTKK-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H]1CC ZINC001707194220 1177965927 /nfs/dbraw/zinc/96/59/27/1177965927.db2.gz HGINZOCBHNYYSR-QLFBSQMISA-N 2 0 299.434 1.821 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1CC ZINC001707201760 1177967977 /nfs/dbraw/zinc/96/79/77/1177967977.db2.gz SJBISDYOOMHTST-ARFHVFGLSA-N 2 0 293.455 1.709 10 30 CDEERP C#CCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001712966850 1178273942 /nfs/dbraw/zinc/27/39/42/1178273942.db2.gz UANOBAHWJOSBBG-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001713181941 1178414717 /nfs/dbraw/zinc/41/47/17/1178414717.db2.gz LHWWMYATULIMMT-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001713220920 1178439378 /nfs/dbraw/zinc/43/93/78/1178439378.db2.gz VZELUMJLQWIHGO-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713541870 1178635510 /nfs/dbraw/zinc/63/55/10/1178635510.db2.gz OJVGFLCJBONDPC-HZPDHXFCSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001713604249 1178677298 /nfs/dbraw/zinc/67/72/98/1178677298.db2.gz FDINELDANPCQNX-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001713771270 1178745913 /nfs/dbraw/zinc/74/59/13/1178745913.db2.gz GWEQDQCJWCRGIU-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001713964717 1178895416 /nfs/dbraw/zinc/89/54/16/1178895416.db2.gz JCVZFWJQFUFZAJ-MGPQQGTHSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001714055659 1178950157 /nfs/dbraw/zinc/95/01/57/1178950157.db2.gz FYDGPMOHZARRIW-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCCC=C)CC1 ZINC001714309777 1179078532 /nfs/dbraw/zinc/07/85/32/1179078532.db2.gz RDTWZGIQNIDVSJ-HNNXBMFYSA-N 2 0 291.439 1.392 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001714546766 1179201749 /nfs/dbraw/zinc/20/17/49/1179201749.db2.gz PTWMVFNLYVAWGT-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001714649324 1179295578 /nfs/dbraw/zinc/29/55/78/1179295578.db2.gz VCMIFQYTWBWICL-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001715033493 1179518233 /nfs/dbraw/zinc/51/82/33/1179518233.db2.gz XMUFUSAFMRILOW-HOTGVXAUSA-N 2 0 293.455 1.826 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001715112931 1179555512 /nfs/dbraw/zinc/55/55/12/1179555512.db2.gz STJOURISXSBVJE-XPKDYRNWSA-N 2 0 279.428 1.387 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001715204968 1179575333 /nfs/dbraw/zinc/57/53/33/1179575333.db2.gz WWCUUXGUXTUPKP-UHFFFAOYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001715204736 1179575808 /nfs/dbraw/zinc/57/58/08/1179575808.db2.gz UPSGOWSHKTWBNG-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001715504237 1179686029 /nfs/dbraw/zinc/68/60/29/1179686029.db2.gz OHGBZZGHGGKISJ-GJZGRUSLSA-N 2 0 279.428 1.082 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001715657890 1179755772 /nfs/dbraw/zinc/75/57/72/1179755772.db2.gz DOXFBLHFDCWLAC-MRXNPFEDSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001716179690 1180085298 /nfs/dbraw/zinc/08/52/98/1180085298.db2.gz ZBSZXXKEIBNXJJ-CVEARBPZSA-N 2 0 293.455 1.757 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001716368433 1180170520 /nfs/dbraw/zinc/17/05/20/1180170520.db2.gz RZAQTBARQCAQQH-XEVLESSRSA-N 2 0 277.412 1.002 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001716513703 1180263130 /nfs/dbraw/zinc/26/31/30/1180263130.db2.gz GMTJQRLGMQLMED-GDBMZVCRSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001717084058 1180526808 /nfs/dbraw/zinc/52/68/08/1180526808.db2.gz HICRINPVDNTSRZ-BZUAXINKSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH]cn1 ZINC001717412678 1180659882 /nfs/dbraw/zinc/65/98/82/1180659882.db2.gz JSRDNIFUCSPYGM-WDEREUQCSA-N 2 0 250.346 1.011 10 30 CDEERP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001717472311 1180693208 /nfs/dbraw/zinc/69/32/08/1180693208.db2.gz KZRSCXRGDOIKSI-HUUCEWRRSA-N 2 0 279.428 1.319 10 30 CDEERP C=CC[NH2+][C@H](CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001717516705 1180719689 /nfs/dbraw/zinc/71/96/89/1180719689.db2.gz OCBVJWFCXOTONO-HZPDHXFCSA-N 2 0 295.471 1.977 10 30 CDEERP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001717605244 1180756222 /nfs/dbraw/zinc/75/62/22/1180756222.db2.gz HEMAMMMVCFAHHZ-PHZGNYQRSA-N 2 0 291.439 1.036 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001717954313 1180945316 /nfs/dbraw/zinc/94/53/16/1180945316.db2.gz DHOUDQVIKVATBW-UONOGXRCSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001722925136 1181493937 /nfs/dbraw/zinc/49/39/37/1181493937.db2.gz HFZXGUSDGQSZOL-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CCO1 ZINC001724823963 1181764900 /nfs/dbraw/zinc/76/49/00/1181764900.db2.gz OSUICAAPECYFGH-OAHLLOKOSA-N 2 0 297.443 1.111 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001724961849 1181809738 /nfs/dbraw/zinc/80/97/38/1181809738.db2.gz RSGWRGGVRYSEHH-UHFFFAOYSA-N 2 0 289.423 1.076 10 30 CDEERP CC#CC[NH+]1CC([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001725263557 1181945131 /nfs/dbraw/zinc/94/51/31/1181945131.db2.gz HKBDABKGOFVZSN-AWEZNQCLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001725499294 1182026506 /nfs/dbraw/zinc/02/65/06/1182026506.db2.gz XLTDQQHNOCIMNG-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001725661952 1182091355 /nfs/dbraw/zinc/09/13/55/1182091355.db2.gz HRWKOKVDQNJWAZ-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001731508854 1182426460 /nfs/dbraw/zinc/42/64/60/1182426460.db2.gz QRSAZPCPMMFHNC-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001731516776 1182431334 /nfs/dbraw/zinc/43/13/34/1182431334.db2.gz ZEKDTJRRGYCXBO-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001731519623 1182432769 /nfs/dbraw/zinc/43/27/69/1182432769.db2.gz WBRKLOJTMPUUPY-OAHLLOKOSA-N 2 0 291.439 1.629 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001731815834 1182603877 /nfs/dbraw/zinc/60/38/77/1182603877.db2.gz DVQUEKZYDWPFJU-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001731862090 1182633656 /nfs/dbraw/zinc/63/36/56/1182633656.db2.gz YMPSRZHEQVDWBL-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP C=CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001731883116 1182649587 /nfs/dbraw/zinc/64/95/87/1182649587.db2.gz AMFXZRMECGOGIV-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001731986987 1182716452 /nfs/dbraw/zinc/71/64/52/1182716452.db2.gz UYOQTAPBNZTOBA-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001732003033 1182720607 /nfs/dbraw/zinc/72/06/07/1182720607.db2.gz UOPVVLWKSJXQCY-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]cnc2C)C1 ZINC001732060642 1182745514 /nfs/dbraw/zinc/74/55/14/1182745514.db2.gz SHBJEKKJXGSHQY-AWEZNQCLSA-N 2 0 290.411 1.665 10 30 CDEERP C#CCC[NH+]1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001732139665 1182796986 /nfs/dbraw/zinc/79/69/86/1182796986.db2.gz JSZVSQOSUATLDY-UHFFFAOYSA-N 2 0 291.439 1.324 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001732147327 1182805434 /nfs/dbraw/zinc/80/54/34/1182805434.db2.gz MGGICIUTTUOBEZ-JYJNAYRXSA-N 2 0 293.455 1.968 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001732455026 1182975400 /nfs/dbraw/zinc/97/54/00/1182975400.db2.gz RIWLGRYNWJKASM-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001732529744 1182997363 /nfs/dbraw/zinc/99/73/63/1182997363.db2.gz FIHALPQUTGSBAN-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001732557918 1183008710 /nfs/dbraw/zinc/00/87/10/1183008710.db2.gz YBUMMBSOYDKICQ-KGLIPLIRSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001732741189 1183104800 /nfs/dbraw/zinc/10/48/00/1183104800.db2.gz RPJWXSUYICHEAE-CQSZACIVSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001732892560 1183174258 /nfs/dbraw/zinc/17/42/58/1183174258.db2.gz RGUUDQLQQRBYCW-BEWKBBBFSA-N 2 0 279.428 1.555 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001733082576 1183280743 /nfs/dbraw/zinc/28/07/43/1183280743.db2.gz FEYFQJJTFJGRRT-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001733675620 1183494182 /nfs/dbraw/zinc/49/41/82/1183494182.db2.gz GVYPHFWVZYGHHO-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001733934448 1183573913 /nfs/dbraw/zinc/57/39/13/1183573913.db2.gz YJFVDTNLCMGZQU-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001734112185 1183662592 /nfs/dbraw/zinc/66/25/92/1183662592.db2.gz CSMLDIFVQWAMDG-CQSZACIVSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001734463446 1183787449 /nfs/dbraw/zinc/78/74/49/1183787449.db2.gz WFCJMGKYXLNOIJ-UONOGXRCSA-N 2 0 279.428 1.483 10 30 CDEERP C#CCCCCCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931479187 739387271 /nfs/dbraw/zinc/38/72/71/739387271.db2.gz MPPNQPCCDYDERO-UHFFFAOYSA-N 2 0 266.429 1.959 10 30 CDEERP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)[C@@H]([NH3+])CCCC#N ZINC000867988095 739821172 /nfs/dbraw/zinc/82/11/72/739821172.db2.gz UDGACUQJJIDBEG-JSGCOSHPSA-N 2 0 286.379 1.833 10 30 CDEERP CC(C)[N@H+]1CC(=NNCCCn2ccnc2)[C@H](C)C1 ZINC000848418491 739831352 /nfs/dbraw/zinc/83/13/52/739831352.db2.gz MLICATYDZKWISQ-CYBMUJFWSA-N 2 0 263.389 1.579 10 30 CDEERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000925786813 740223563 /nfs/dbraw/zinc/22/35/63/740223563.db2.gz VJVNLGDTNBUBGZ-ZBFHGGJFSA-N 2 0 298.434 1.972 10 30 CDEERP C#CCNC(=O)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000782053632 740305226 /nfs/dbraw/zinc/30/52/26/740305226.db2.gz SXGKFRCILOTUGT-CYBMUJFWSA-N 2 0 296.374 1.581 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000876783310 741279967 /nfs/dbraw/zinc/27/99/67/741279967.db2.gz YZMFWHYFEIDHBB-UWJYBYFXSA-N 2 0 271.792 1.055 10 30 CDEERP C[NH+](C)CC[C@H](NC(=O)C#CC1CC[NH2+]CC1)C(C)(C)C ZINC000852869196 739551659 /nfs/dbraw/zinc/55/16/59/739551659.db2.gz YXOXLCLCPYGJEE-HNNXBMFYSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000876729338 739964555 /nfs/dbraw/zinc/96/45/55/739964555.db2.gz KMTCAKUYQWNCNF-STQMWFEESA-N 2 0 285.819 1.543 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000876935911 740318367 /nfs/dbraw/zinc/31/83/67/740318367.db2.gz SQLNDFYKRIBSCO-MNOVXSKESA-N 2 0 271.792 1.247 10 30 CDEERP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702572 740337914 /nfs/dbraw/zinc/33/79/14/740337914.db2.gz CPCDJTXTONODJA-WFASDCNBSA-N 2 0 267.417 1.374 10 30 CDEERP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NC1CCCCC1 ZINC000304831331 740543525 /nfs/dbraw/zinc/54/35/25/740543525.db2.gz KOEROWPBCBICCC-CQSZACIVSA-N 2 0 284.448 1.580 10 30 CDEERP C#CCN1CCC[C@H]([NH2+][C@H]2CCCN3CCCC[C@H]23)C1 ZINC000926869084 741051897 /nfs/dbraw/zinc/05/18/97/741051897.db2.gz SQJWQVSPXQRXID-YESZJQIVSA-N 2 0 275.440 1.691 10 30 CDEERP CCc1nc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cs1 ZINC000304741386 742508831 /nfs/dbraw/zinc/50/88/31/742508831.db2.gz CBSPOCBCJSZZLX-GFCCVEGCSA-N 2 0 295.456 1.594 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000876733008 742817874 /nfs/dbraw/zinc/81/78/74/742817874.db2.gz LXCFQAQKWCKMDD-QWRGUYRKSA-N 2 0 261.797 1.303 10 30 CDEERP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001569118788 1167553760 /nfs/dbraw/zinc/55/37/60/1167553760.db2.gz GWRVZJJDOHVRMH-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483695190 912874244 /nfs/dbraw/zinc/87/42/44/912874244.db2.gz PSULQTGIWOUJDE-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567201753 1168616633 /nfs/dbraw/zinc/61/66/33/1168616633.db2.gz HNOXPXCDVGVPMV-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001266326914 894401872 /nfs/dbraw/zinc/40/18/72/894401872.db2.gz QBEDPHMGFIWSMP-UHFFFAOYSA-N 2 0 267.417 1.036 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001266495530 895059172 /nfs/dbraw/zinc/05/91/72/895059172.db2.gz ONRCPPZMFYGBJH-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266970366 896470225 /nfs/dbraw/zinc/47/02/25/896470225.db2.gz CPIHZCBAEUGNLN-CZUORRHYSA-N 2 0 299.434 1.869 10 30 CDEERP C#CCC[N@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267218019 897183255 /nfs/dbraw/zinc/18/32/55/897183255.db2.gz VXYPYDOFMOUJTB-INIZCTEOSA-N 2 0 297.418 1.270 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267241656 897295894 /nfs/dbraw/zinc/29/58/94/897295894.db2.gz GDNSQVMGCLDJMV-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001267283132 897463344 /nfs/dbraw/zinc/46/33/44/897463344.db2.gz ILMUBGBIPSCALB-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001267570544 898425780 /nfs/dbraw/zinc/42/57/80/898425780.db2.gz BUZNCIMGKXOUJO-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267597330 898659255 /nfs/dbraw/zinc/65/92/55/898659255.db2.gz VOHFYHTXMXBXEU-INIZCTEOSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267697245 899314330 /nfs/dbraw/zinc/31/43/30/899314330.db2.gz HOMHKBOQNZZVKT-OAHLLOKOSA-N 2 0 281.444 1.587 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267702341 899323730 /nfs/dbraw/zinc/32/37/30/899323730.db2.gz FWPCSSJSGVYCAF-HZPDHXFCSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267766383 899643511 /nfs/dbraw/zinc/64/35/11/899643511.db2.gz HXJPVHWQPPYBAI-HNNXBMFYSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001267839245 899849506 /nfs/dbraw/zinc/84/95/06/899849506.db2.gz LDQILTOEFIPWCT-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001481340130 900452730 /nfs/dbraw/zinc/45/27/30/900452730.db2.gz OPTPQBZEUHRKCQ-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)CC[NH+]1CCCCC1)C(C)C ZINC001481357681 900489967 /nfs/dbraw/zinc/48/99/67/900489967.db2.gz HZUXPDSJEKHRRF-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001481496787 900922663 /nfs/dbraw/zinc/92/26/63/900922663.db2.gz FVBBTKKCLVJMLO-HUUCEWRRSA-N 2 0 279.428 1.295 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001268140610 901398630 /nfs/dbraw/zinc/39/86/30/901398630.db2.gz ILWKXMZPHKCLHL-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001268163952 901462808 /nfs/dbraw/zinc/46/28/08/901462808.db2.gz SKAZYJHEDBVGRA-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001481709685 901879810 /nfs/dbraw/zinc/87/98/10/901879810.db2.gz HCXPHMIHSMWSNZ-CYBMUJFWSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001268900619 903226429 /nfs/dbraw/zinc/22/64/29/903226429.db2.gz LGSANECVDYMKEZ-GDBMZVCRSA-N 2 0 295.471 1.975 10 30 CDEERP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001268979089 903298069 /nfs/dbraw/zinc/29/80/69/903298069.db2.gz VSLHRHSEWJNVBM-KBPBESRZSA-N 2 0 265.401 1.189 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001269069635 903392022 /nfs/dbraw/zinc/39/20/22/903392022.db2.gz UFCJUKZCCIPYOO-CABCVRRESA-N 2 0 290.411 1.991 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001269522929 903889211 /nfs/dbraw/zinc/88/92/11/903889211.db2.gz WDLKNTNIEIUCPJ-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCC1 ZINC001482227932 903889389 /nfs/dbraw/zinc/88/93/89/903889389.db2.gz ICFVCXBKJUHDFE-UHFFFAOYSA-N 2 0 267.417 1.533 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001269549159 903917705 /nfs/dbraw/zinc/91/77/05/903917705.db2.gz FTSOAQSRWIXHNF-OAHLLOKOSA-N 2 0 291.439 1.533 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001270104772 904360973 /nfs/dbraw/zinc/36/09/73/904360973.db2.gz FSKJHINZOXQQQF-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001567840309 1169009416 /nfs/dbraw/zinc/00/94/16/1169009416.db2.gz OEUNQZKTWBVNPV-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001270906092 905412645 /nfs/dbraw/zinc/41/26/45/905412645.db2.gz GWRGCJGIVUTRSQ-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001271659839 906574954 /nfs/dbraw/zinc/57/49/54/906574954.db2.gz LXGCWCNUCQHISZ-LSDHHAIUSA-N 2 0 293.455 1.588 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567925901 1169076505 /nfs/dbraw/zinc/07/65/05/1169076505.db2.gz VRAIBGSPIHVSGN-HNNXBMFYSA-N 2 0 291.439 1.581 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001482901129 908466758 /nfs/dbraw/zinc/46/67/58/908466758.db2.gz IPAMTZRWXFOFJV-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483167265 909905741 /nfs/dbraw/zinc/90/57/41/909905741.db2.gz XSRKHKVGTCWXKZ-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483339969 910928302 /nfs/dbraw/zinc/92/83/02/910928302.db2.gz VXEUUERJNMWQSH-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001483352590 910958193 /nfs/dbraw/zinc/95/81/93/910958193.db2.gz NUDDZOFHMVCHLJ-QWHCGFSZSA-N 2 0 255.406 1.339 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001483420416 911093362 /nfs/dbraw/zinc/09/33/62/911093362.db2.gz ITVUWEPZVFFHDX-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001483972256 915246983 /nfs/dbraw/zinc/24/69/83/915246983.db2.gz IBMBNPWJEZDFJK-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001483968380 915253773 /nfs/dbraw/zinc/25/37/73/915253773.db2.gz WHFDFYVJIXFYIR-UHFFFAOYSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001485195115 916657144 /nfs/dbraw/zinc/65/71/44/916657144.db2.gz RZVNPOPYRSFFRK-KBPBESRZSA-N 2 0 281.444 1.470 10 30 CDEERP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485747293 917252266 /nfs/dbraw/zinc/25/22/66/917252266.db2.gz APHXZIHVUYSVDP-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485747351 917253306 /nfs/dbraw/zinc/25/33/06/917253306.db2.gz YOAILVWGZHPSSH-ZIAGYGMSSA-N 2 0 267.417 1.080 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001486129738 920733245 /nfs/dbraw/zinc/73/32/45/920733245.db2.gz OEQAYFDCSQHZKX-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001490903180 936686909 /nfs/dbraw/zinc/68/69/09/936686909.db2.gz OWIKYOIXDMALIL-RBSFLKMASA-N 2 0 279.428 1.674 10 30 CDEERP C#CC[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001486467593 921042009 /nfs/dbraw/zinc/04/20/09/921042009.db2.gz STKFMWBEOKUUAO-SLTAFYQDSA-N 2 0 277.412 1.073 10 30 CDEERP C#CCC[NH+]1CC=C(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001486519614 921095963 /nfs/dbraw/zinc/09/59/63/921095963.db2.gz VSBOZKVQGINMGT-UHFFFAOYSA-N 2 0 277.412 1.100 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001568330819 1169251457 /nfs/dbraw/zinc/25/14/57/1169251457.db2.gz FTUPEQYDRUVKQY-CQSZACIVSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001273644904 923220404 /nfs/dbraw/zinc/22/04/04/923220404.db2.gz HIXRAMJWVLFCGH-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001490983722 936837591 /nfs/dbraw/zinc/83/75/91/936837591.db2.gz PGAYAAYIXOIAKM-CVEARBPZSA-N 2 0 291.439 1.273 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001491022768 936843577 /nfs/dbraw/zinc/84/35/77/936843577.db2.gz HPCFOVXTMSITRT-QLFBSQMISA-N 2 0 277.412 1.121 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001491160946 936867129 /nfs/dbraw/zinc/86/71/29/936867129.db2.gz OTQLETBTMUVNSK-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001491472344 936921497 /nfs/dbraw/zinc/92/14/97/936921497.db2.gz BRJQUINTLOCDCK-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001568401817 1169273687 /nfs/dbraw/zinc/27/36/87/1169273687.db2.gz ZLKQPRRLFABHSQ-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568412691 1169276796 /nfs/dbraw/zinc/27/67/96/1169276796.db2.gz VJQAFYUDPZBGDG-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001489052292 926790521 /nfs/dbraw/zinc/79/05/21/926790521.db2.gz GQRWGOAOMSGYSN-PMPSAXMXSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1CC ZINC001489117585 926802456 /nfs/dbraw/zinc/80/24/56/926802456.db2.gz SEIJGXKXPHTPPJ-OWCLPIDISA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001568501719 1169336844 /nfs/dbraw/zinc/33/68/44/1169336844.db2.gz RKQDSCXWKKEIQN-UHFFFAOYSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001274809530 931583300 /nfs/dbraw/zinc/58/33/00/931583300.db2.gz PPWZCYLNWAZSBB-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001275920046 932134164 /nfs/dbraw/zinc/13/41/64/932134164.db2.gz HLVIEXFZEKNNJF-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001148223709 932671310 /nfs/dbraw/zinc/67/13/10/932671310.db2.gz HFWKNEFKZXUPEU-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001276439536 939730107 /nfs/dbraw/zinc/73/01/07/939730107.db2.gz GIWGHSMHNCCKTA-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001276841070 941635262 /nfs/dbraw/zinc/63/52/62/941635262.db2.gz URSQYMKHZULILF-ARFHVFGLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CCO1 ZINC001330424374 941901018 /nfs/dbraw/zinc/90/10/18/941901018.db2.gz IYFSHZYPMQIOQH-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001281682109 942608681 /nfs/dbraw/zinc/60/86/81/942608681.db2.gz HGMUHGXALVDWRA-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001282274008 942685348 /nfs/dbraw/zinc/68/53/48/942685348.db2.gz BUFHCWWDWWKEOJ-NRXISQOPSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001282956756 942789130 /nfs/dbraw/zinc/78/91/30/942789130.db2.gz BCYIDZSXMVOIGJ-JYJNAYRXSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C ZINC001284544631 943206538 /nfs/dbraw/zinc/20/65/38/943206538.db2.gz OBJDIKSPKGJLFI-UHFFFAOYSA-N 2 0 255.406 1.293 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)CCC[NH+]1CCCC1)C(C)(C)C ZINC001284653494 943234789 /nfs/dbraw/zinc/23/47/89/943234789.db2.gz SNVORKHUZAQRBN-OAHLLOKOSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001277755967 943480278 /nfs/dbraw/zinc/48/02/78/943480278.db2.gz LBOCJLWADKVFIX-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001263838529 943997673 /nfs/dbraw/zinc/99/76/73/943997673.db2.gz QKCUYFMILVWCTJ-GASCZTMLSA-N 2 0 289.423 1.123 10 30 CDEERP C=C(C)C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001265156407 944252190 /nfs/dbraw/zinc/25/21/90/944252190.db2.gz YLYQVVNZJGYBPE-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH+](CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001265164641 944257781 /nfs/dbraw/zinc/25/77/81/944257781.db2.gz PFYMRPHWTIQWHJ-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@@H](F)CC)CC1 ZINC001265869900 944549602 /nfs/dbraw/zinc/54/96/02/944549602.db2.gz FBCGBAUCADEWTH-HIFRSBDPSA-N 2 0 297.418 1.174 10 30 CDEERP C=C(C)C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266174682 944733175 /nfs/dbraw/zinc/73/31/75/944733175.db2.gz QKEJYQBJVZGUKG-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266236069 944776578 /nfs/dbraw/zinc/77/65/78/944776578.db2.gz CAZCNGLHQGJMSL-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001261283190 946037251 /nfs/dbraw/zinc/03/72/51/946037251.db2.gz LOKFIHDYVXMVAN-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568899249 1169538655 /nfs/dbraw/zinc/53/86/55/1169538655.db2.gz VOSNGCBPKYHUQV-VOTSOKGWSA-N 2 0 277.412 1.146 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001279001822 948550856 /nfs/dbraw/zinc/55/08/56/948550856.db2.gz FLQMPSHHTPJPNM-HUUCEWRRSA-N 2 0 295.471 1.716 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001480021026 971541278 /nfs/dbraw/zinc/54/12/78/971541278.db2.gz MBFNGTRGMCEYCM-HRCADAONSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001278521365 949704423 /nfs/dbraw/zinc/70/44/23/949704423.db2.gz NGRBBOKVAASGQZ-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001480356896 971685597 /nfs/dbraw/zinc/68/55/97/971685597.db2.gz KXSREZRLUDRTGH-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@@H](C)CC)CC1 ZINC001569099271 1169644027 /nfs/dbraw/zinc/64/40/27/1169644027.db2.gz XHLLTWAPLSZJBE-GJZGRUSLSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001480410480 971707056 /nfs/dbraw/zinc/70/70/56/971707056.db2.gz LBBCRZTXIQPHNK-QQFBHYJXSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001480834473 971898656 /nfs/dbraw/zinc/89/86/56/971898656.db2.gz PIESKLGGJRXAMG-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001324618782 953472244 /nfs/dbraw/zinc/47/22/44/953472244.db2.gz CUZRLDTXDDGINV-MRXNPFEDSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001324973680 953661526 /nfs/dbraw/zinc/66/15/26/953661526.db2.gz ZCJGWCPDKPNVJW-ZBFHGGJFSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001493138059 971956134 /nfs/dbraw/zinc/95/61/34/971956134.db2.gz OIYNBEQVHVFKSP-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001493206884 971984265 /nfs/dbraw/zinc/98/42/65/971984265.db2.gz KKJNVVLRVSXRMM-KGLIPLIRSA-N 2 0 285.407 1.290 10 30 CDEERP C=CC[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001493414177 972047029 /nfs/dbraw/zinc/04/70/29/972047029.db2.gz NWEFHTCZLBSPOU-UHFFFAOYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001491943921 955538083 /nfs/dbraw/zinc/53/80/83/955538083.db2.gz UJGKLZQPZVVPDG-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)C[N@@H+](C)CCC ZINC001493768738 972112344 /nfs/dbraw/zinc/11/23/44/972112344.db2.gz AZIBNASSIYAUNI-UHFFFAOYSA-N 2 0 261.797 1.129 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001330665970 956554152 /nfs/dbraw/zinc/55/41/52/956554152.db2.gz BWNQOGILCZBBET-YHUYYLMFSA-N 2 0 289.423 1.121 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001316875392 956864377 /nfs/dbraw/zinc/86/43/77/956864377.db2.gz AAOOOWLYCSYHGR-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001331211423 956888641 /nfs/dbraw/zinc/88/86/41/956888641.db2.gz JZOWUMNCDDLFTI-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001331293161 956951053 /nfs/dbraw/zinc/95/10/53/956951053.db2.gz AQAUNMLMFREAOL-GJZGRUSLSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001331529628 957122668 /nfs/dbraw/zinc/12/26/68/957122668.db2.gz LTCBLAPSUZXXGH-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]C(C)C)C2CC2)CC1 ZINC001317036037 957222107 /nfs/dbraw/zinc/22/21/07/957222107.db2.gz ZYXPZRWEBQHOPV-MRXNPFEDSA-N 2 0 291.439 1.224 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001317067058 957240332 /nfs/dbraw/zinc/24/03/32/957240332.db2.gz KYYLQMSPLKBIMQ-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317177400 957322019 /nfs/dbraw/zinc/32/20/19/957322019.db2.gz UOAWWVAKQDHHMH-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001494615436 972268672 /nfs/dbraw/zinc/26/86/72/972268672.db2.gz RKIALHAPMAQHHO-UHFFFAOYSA-N 2 0 277.412 1.096 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001332445287 957567461 /nfs/dbraw/zinc/56/74/61/957567461.db2.gz YRSNPGJHQKXHIX-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001494722618 972296830 /nfs/dbraw/zinc/29/68/30/972296830.db2.gz SEYYVBGHKAPWEV-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001332881130 957915000 /nfs/dbraw/zinc/91/50/00/957915000.db2.gz GXUWRQKPECJPSC-KBPBESRZSA-N 2 0 281.444 1.470 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001318169728 957951392 /nfs/dbraw/zinc/95/13/92/957951392.db2.gz SLQVCUBUFGANIK-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001494862020 972325428 /nfs/dbraw/zinc/32/54/28/972325428.db2.gz GPVDGIDTTWWECN-STQMWFEESA-N 2 0 253.390 1.045 10 30 CDEERP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001319867221 958761684 /nfs/dbraw/zinc/76/16/84/958761684.db2.gz BRIUXWBWKFEVRR-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001320176006 958989589 /nfs/dbraw/zinc/98/95/89/958989589.db2.gz XECIAZZZTLVXRW-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001369237477 959563009 /nfs/dbraw/zinc/56/30/09/959563009.db2.gz KIEPTRCZUNZQMR-OCCSQVGLSA-N 2 0 299.846 1.517 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321065802 959570341 /nfs/dbraw/zinc/57/03/41/959570341.db2.gz WLKAULMWTBQWER-XVWMLYKFSA-N 2 0 277.412 1.166 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001323064239 960427421 /nfs/dbraw/zinc/42/74/21/960427421.db2.gz QJMSRIWXJHBMSG-CQSZACIVSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001436824821 962440207 /nfs/dbraw/zinc/44/02/07/962440207.db2.gz FENFTGGZHKDZLA-CYBMUJFWSA-N 2 0 285.819 1.319 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001341564880 963465701 /nfs/dbraw/zinc/46/57/01/963465701.db2.gz QFVAMRTXMQLUQN-MXWKQRLJSA-N 2 0 293.333 1.266 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001341695688 963515843 /nfs/dbraw/zinc/51/58/43/963515843.db2.gz ICECBVIWKDKIHP-DCAQKATOSA-N 2 0 293.333 1.408 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC001354488052 968737913 /nfs/dbraw/zinc/73/79/13/968737913.db2.gz SAYDEGWFFUEYFO-LXVYMNJGSA-N 2 0 251.374 1.152 10 30 CDEERP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001569638814 1169947986 /nfs/dbraw/zinc/94/79/86/1169947986.db2.gz HUSOPYYDHHBOHT-UKRRQHHQSA-N 2 0 285.407 1.433 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001371832339 972651939 /nfs/dbraw/zinc/65/19/39/972651939.db2.gz KCOOECRCBBAIHQ-WCQYABFASA-N 2 0 287.835 1.565 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001496097970 972793231 /nfs/dbraw/zinc/79/32/31/972793231.db2.gz JSSRKLNKNDZXRJ-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001496364754 972900076 /nfs/dbraw/zinc/90/00/76/972900076.db2.gz UGEAXCPGTLBDFQ-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001496916534 973143640 /nfs/dbraw/zinc/14/36/40/973143640.db2.gz ITEPMDPAPXYVOE-HOTGVXAUSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001497762767 973490559 /nfs/dbraw/zinc/49/05/59/973490559.db2.gz JRNLLXVAVIVVDF-MOEXGYKKSA-N 2 0 291.439 1.392 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001498042444 973645264 /nfs/dbraw/zinc/64/52/64/973645264.db2.gz PPFFQYTZYCXEQW-QWHCGFSZSA-N 2 0 287.835 1.706 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001499330379 974237927 /nfs/dbraw/zinc/23/79/27/974237927.db2.gz RADINJAAOMHTGT-UHFFFAOYSA-N 2 0 253.390 1.143 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001499955018 974343471 /nfs/dbraw/zinc/34/34/71/974343471.db2.gz LWIIHBTYAXGFDQ-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001502390414 974731793 /nfs/dbraw/zinc/73/17/93/974731793.db2.gz CTXLQNFYXNRHDP-CQSZACIVSA-N 2 0 269.433 1.683 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)C[N@@H+](C)C(C)C)CCOCC1 ZINC001502645048 974760017 /nfs/dbraw/zinc/76/00/17/974760017.db2.gz MGGUZXDJZGJMIO-UHFFFAOYSA-N 2 0 297.443 1.158 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001505408240 974862615 /nfs/dbraw/zinc/86/26/15/974862615.db2.gz LTHPMTQTAOVURW-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001505706382 974970119 /nfs/dbraw/zinc/97/01/19/974970119.db2.gz OTCRKLXPSQIEBR-KGLIPLIRSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001507418735 975461522 /nfs/dbraw/zinc/46/15/22/975461522.db2.gz JCJUQXXXVLZWAE-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001569810050 1170001460 /nfs/dbraw/zinc/00/14/60/1170001460.db2.gz FJMAKOLTILKVQL-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001393899278 977954360 /nfs/dbraw/zinc/95/43/60/977954360.db2.gz NXLWJSRNMCHDOU-UHFFFAOYSA-N 2 0 299.846 1.708 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001674140669 1173917486 /nfs/dbraw/zinc/91/74/86/1173917486.db2.gz HWBLMUIJBPXJQN-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001675478694 1174118787 /nfs/dbraw/zinc/11/87/87/1174118787.db2.gz CKKAVMZKMTUGOX-GJZGRUSLSA-N 2 0 293.455 1.423 10 30 CDEERP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001676018419 1174174537 /nfs/dbraw/zinc/17/45/37/1174174537.db2.gz MCVBPOIZJDVOIS-CYBMUJFWSA-N 2 0 287.835 1.709 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001570642020 1170220253 /nfs/dbraw/zinc/22/02/53/1170220253.db2.gz QRTZBIVHQIOANC-KBPBESRZSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001571325634 1170366795 /nfs/dbraw/zinc/36/67/95/1170366795.db2.gz FMANPRHIHAEGGH-AWEZNQCLSA-N 2 0 267.417 1.224 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC001571559979 1170477389 /nfs/dbraw/zinc/47/73/89/1170477389.db2.gz PGZGWURFTVXOQG-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594428015 342897403 /nfs/dbraw/zinc/89/74/03/342897403.db2.gz YWXRSJCDAUIYOZ-NWDGAFQWSA-N 2 0 254.378 1.031 10 30 CDEERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438188 342906138 /nfs/dbraw/zinc/90/61/38/342906138.db2.gz RECYTKGXHSZRRN-RDBSUJKOSA-N 2 0 280.416 1.196 10 30 CDEERP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)CC2(C#N)CC2)CCCO1 ZINC000600734392 342245964 /nfs/dbraw/zinc/24/59/64/342245964.db2.gz OQICIQTWCFMDKR-HUUCEWRRSA-N 2 0 295.427 1.132 10 30 CDEERP C[NH+](C)C1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600738958 342246643 /nfs/dbraw/zinc/24/66/43/342246643.db2.gz KWVAVVGEYLROJD-RUXDESIVSA-N 2 0 265.401 1.504 10 30 CDEERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594424406 342903868 /nfs/dbraw/zinc/90/38/68/342903868.db2.gz DDPVDPJRVXFLAX-IUODEOHRSA-N 2 0 288.395 1.734 10 30 CDEERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000595943074 343204352 /nfs/dbraw/zinc/20/43/52/343204352.db2.gz IGURPRXXMUJOLW-HUUCEWRRSA-N 2 0 294.443 1.634 10 30 CDEERP C=CCC[C@@H](CO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000641760033 365822565 /nfs/dbraw/zinc/82/25/65/365822565.db2.gz LWVVNYAHQLPETD-ZDUSSCGKSA-N 2 0 272.352 1.684 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000106335540 357243654 /nfs/dbraw/zinc/24/36/54/357243654.db2.gz FURWAXKMPSUXCA-HNNXBMFYSA-N 2 0 294.443 1.420 10 30 CDEERP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001660823194 1172284486 /nfs/dbraw/zinc/28/44/86/1172284486.db2.gz ZESDMKIKDGIFEC-OWCLPIDISA-N 2 0 293.455 1.873 10 30 CDEERP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528475009 367854402 /nfs/dbraw/zinc/85/44/02/367854402.db2.gz JTOGRKQJNIJKRP-ZIAGYGMSSA-N 2 0 265.401 1.457 10 30 CDEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)C(C)C ZINC000638068066 367969741 /nfs/dbraw/zinc/96/97/41/367969741.db2.gz GISVPSZMGYVICB-HOTGVXAUSA-N 2 0 291.439 1.849 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001661747580 1172437341 /nfs/dbraw/zinc/43/73/41/1172437341.db2.gz BTIDPKLMQNFPNQ-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCC[NH2+]1 ZINC000638951290 375860382 /nfs/dbraw/zinc/86/03/82/375860382.db2.gz UOUQOIQRDJSRKV-YDHLFZDLSA-N 2 0 265.401 1.318 10 30 CDEERP C=CCC[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247458421 377120237 /nfs/dbraw/zinc/12/02/37/377120237.db2.gz PLSRNMDAGQDQTG-HOCLYGCPSA-N 2 0 284.444 1.338 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001662350853 1172533846 /nfs/dbraw/zinc/53/38/46/1172533846.db2.gz NYDGPPRGGSKXDX-UONOGXRCSA-N 2 0 267.417 1.530 10 30 CDEERP C=C(C)[C@@H](CO)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000649272356 393296572 /nfs/dbraw/zinc/29/65/72/393296572.db2.gz OXJVTGJBJTWYDX-MRXNPFEDSA-N 2 0 282.428 1.358 10 30 CDEERP C=CC[C@]1(C(=O)NCCCC[NH+](CC)CC)CCC[NH2+]1 ZINC000662682921 413306881 /nfs/dbraw/zinc/30/68/81/413306881.db2.gz LVUDSIFBIXKPEB-MRXNPFEDSA-N 2 0 281.444 1.923 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000662682245 413306582 /nfs/dbraw/zinc/30/65/82/413306582.db2.gz OYUDYHLYTUNPEM-SQWLQELKSA-N 2 0 277.412 1.428 10 30 CDEERP C=CC[C@@]1(C(=O)NC2CC[NH+](C(C)C)CC2)CCC[NH2+]1 ZINC000662785333 413496618 /nfs/dbraw/zinc/49/66/18/413496618.db2.gz GRFKIRGFZNUPCK-INIZCTEOSA-N 2 0 279.428 1.674 10 30 CDEERP C=CC[C@@]1(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CCC[NH2+]1 ZINC000662814693 413536486 /nfs/dbraw/zinc/53/64/86/413536486.db2.gz LFKVPTBQXGXSLZ-YUELXQCFSA-N 2 0 265.401 1.128 10 30 CDEERP CN(Cc1ccc(F)cc1C#CC[NH3+])C[C@H]1CC[N@H+](C)C1 ZINC000071190481 176066332 /nfs/dbraw/zinc/06/63/32/176066332.db2.gz XXQRROUCCSZJDP-AWEZNQCLSA-N 2 0 289.398 1.519 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001666671855 1173169764 /nfs/dbraw/zinc/16/97/64/1173169764.db2.gz AAKTVVCNRMDEJD-OAHLLOKOSA-N 2 0 281.444 1.780 10 30 CDEERP CN(C)C(=[NH2+])NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162455861 262330505 /nfs/dbraw/zinc/33/05/05/262330505.db2.gz PNCQUUBPTDAKGC-MRXNPFEDSA-N 2 0 274.412 1.917 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001668215207 1173382842 /nfs/dbraw/zinc/38/28/42/1173382842.db2.gz YFSBCOKQKUWHEF-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCCCC1)C1CC1 ZINC000104175750 276788065 /nfs/dbraw/zinc/78/80/65/276788065.db2.gz CLBCSTITDAVNRE-CYBMUJFWSA-N 2 0 252.406 1.564 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001673445465 1173857434 /nfs/dbraw/zinc/85/74/34/1173857434.db2.gz IRQIILKHOWTDIZ-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001725495097 1159245815 /nfs/dbraw/zinc/24/58/15/1159245815.db2.gz LPLWVMGDKWPPLX-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267439580 1159377242 /nfs/dbraw/zinc/37/72/42/1159377242.db2.gz NQGMKLUIZIOJIZ-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001268016153 1159649198 /nfs/dbraw/zinc/64/91/98/1159649198.db2.gz ZRTXNXVDLXFRJJ-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482889590 1160641137 /nfs/dbraw/zinc/64/11/37/1160641137.db2.gz QVAGEVUUTXQZAM-UONOGXRCSA-N 2 0 267.417 1.080 10 30 CDEERP C=CCC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001691629577 1160773154 /nfs/dbraw/zinc/77/31/54/1160773154.db2.gz QZPJBVHUDQYXDI-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483320224 1160900286 /nfs/dbraw/zinc/90/02/86/1160900286.db2.gz SNGZLNLUMZTHBC-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CCC)C1CCCC1 ZINC001484011987 1161245787 /nfs/dbraw/zinc/24/57/87/1161245787.db2.gz FVDMZQCPKWPLCI-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]CC)CC1 ZINC001485751529 1161284589 /nfs/dbraw/zinc/28/45/89/1161284589.db2.gz OAXGTOHQWJAIMC-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001713411629 1178543916 /nfs/dbraw/zinc/54/39/16/1178543916.db2.gz MHFLLPCFHHBMIW-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715682283 1179763060 /nfs/dbraw/zinc/76/30/60/1179763060.db2.gz JUPCUYJQYYUHNO-YPMHNXCESA-N 2 0 287.835 1.565 10 30 CDEERP CC#CC[N@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001716012601 1179986457 /nfs/dbraw/zinc/98/64/57/1179986457.db2.gz JSDOAJADOUTAFM-UHFFFAOYSA-N 2 0 279.428 1.276 10 30 CDEERP C=CC[N@@H+](C)CCNC(=O)c1sccc1C[NH+](C)C ZINC001731772774 1182565740 /nfs/dbraw/zinc/56/57/40/1182565740.db2.gz MMKIOEKQUYZRCU-UHFFFAOYSA-N 2 0 281.425 1.657 10 30 CDEERP C=C(C)C[N@@H+](CC)CCn1cc(C[NH2+]CC)nn1 ZINC000052423415 518599846 /nfs/dbraw/zinc/59/98/46/518599846.db2.gz IVJARACEHRHIBP-UHFFFAOYSA-N 2 0 251.378 1.286 10 30 CDEERP [NH3+]CC#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000049609816 527146417 /nfs/dbraw/zinc/14/64/17/527146417.db2.gz ADMFXMCUTCUYGB-OAHLLOKOSA-N 2 0 262.328 1.093 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001688888771 1175052793 /nfs/dbraw/zinc/05/27/93/1175052793.db2.gz NRTBIUPFOJLNHU-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001690051443 1175358621 /nfs/dbraw/zinc/35/86/21/1175358621.db2.gz AESJJDJQBZVZIJ-CYBMUJFWSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001690184615 1175398089 /nfs/dbraw/zinc/39/80/89/1175398089.db2.gz PGBLGJUPGZIGFM-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940618191 613599723 /nfs/dbraw/zinc/59/97/23/613599723.db2.gz QBHOGRPJCCIVSF-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000900644975 623350308 /nfs/dbraw/zinc/35/03/08/623350308.db2.gz MEDVBSBIARYTGY-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000900823400 623528422 /nfs/dbraw/zinc/52/84/22/623528422.db2.gz VAHQLROUDNVROH-KGLIPLIRSA-N 2 0 267.417 1.293 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+](CC)CCC ZINC000900924193 623649266 /nfs/dbraw/zinc/64/92/66/623649266.db2.gz CQUBTAKLOXJLGM-UHFFFAOYSA-N 2 0 255.406 1.342 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000901104595 623887390 /nfs/dbraw/zinc/88/73/90/623887390.db2.gz NCLBMEFKAWIARU-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[C@@H]1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903769354 626086085 /nfs/dbraw/zinc/08/60/85/626086085.db2.gz DKASZMSUALKBMB-QLFBSQMISA-N 2 0 250.386 1.653 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000911302823 629231485 /nfs/dbraw/zinc/23/14/85/629231485.db2.gz YXIXMZSWBZQMEV-UONOGXRCSA-N 2 0 265.401 1.047 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CCC)[C@@H]1CC[N@H+](C)C1 ZINC000911511560 629311627 /nfs/dbraw/zinc/31/16/27/629311627.db2.gz JETJYIJVQCCIKB-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000913005907 630329920 /nfs/dbraw/zinc/32/99/20/630329920.db2.gz JQBYFTNVRXNFDX-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC(C)(C)C[N@@H+](C)CCC ZINC000876984993 630588984 /nfs/dbraw/zinc/58/89/84/630588984.db2.gz RPJZGJWSMTXZAC-NSHDSACASA-N 2 0 275.824 1.693 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266741279 1158796674 /nfs/dbraw/zinc/79/66/74/1158796674.db2.gz PJXKAGVMEUVPIL-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691196576 1158954132 /nfs/dbraw/zinc/95/41/32/1158954132.db2.gz ULJDBTIOVWSGAS-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001480878466 1158559540 /nfs/dbraw/zinc/55/95/40/1158559540.db2.gz HDAXEKJWRRCEGM-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001266620120 1158701336 /nfs/dbraw/zinc/70/13/36/1158701336.db2.gz MNKWSVHNJKQNAA-QAQDUYKDSA-N 2 0 299.418 1.031 10 30 CDEERP C=C(C)CC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001691176783 1158945521 /nfs/dbraw/zinc/94/55/21/1158945521.db2.gz AFBUXBFRZFWXJE-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001691184526 1158949114 /nfs/dbraw/zinc/94/91/14/1158949114.db2.gz OTJJWWYZRQDPAI-LDKKBFSKSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001731651605 1159321288 /nfs/dbraw/zinc/32/12/88/1159321288.db2.gz GCSNMDCRAJQNFP-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001481060515 1159507699 /nfs/dbraw/zinc/50/76/99/1159507699.db2.gz ZWJVNRRHAKWOTG-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317851607 1164778084 /nfs/dbraw/zinc/77/80/84/1164778084.db2.gz BMFVLKLWUBMIJG-OAHLLOKOSA-N 2 0 295.471 1.931 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC001634127912 1166472691 /nfs/dbraw/zinc/47/26/91/1166472691.db2.gz HQANTOIMANSUKB-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001566528032 1168321325 /nfs/dbraw/zinc/32/13/25/1168321325.db2.gz HAVCZYPKJXOUCW-GDBMZVCRSA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001566699346 1168390027 /nfs/dbraw/zinc/39/00/27/1168390027.db2.gz DLGIBBPQTLBCPG-MRXNPFEDSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)C[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001567333046 1168686656 /nfs/dbraw/zinc/68/66/56/1168686656.db2.gz IHVOFKJJPLLDSR-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001567965189 1169099277 /nfs/dbraw/zinc/09/92/77/1169099277.db2.gz GDRODTKGFIPRDN-KGLIPLIRSA-N 2 0 267.417 1.080 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001568295071 1169229201 /nfs/dbraw/zinc/22/92/01/1169229201.db2.gz NGGGUHJJOLRNSL-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001568851164 1169518210 /nfs/dbraw/zinc/51/82/10/1169518210.db2.gz YLIMDPPSKQOYSA-LFAOLKIESA-N 2 0 279.428 1.697 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001568858148 1169522627 /nfs/dbraw/zinc/52/26/27/1169522627.db2.gz IQPKBPDQQWBRJL-LQYUOIDQSA-N 2 0 277.412 1.146 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001569562074 1169925189 /nfs/dbraw/zinc/92/51/89/1169925189.db2.gz DDLNERPDWWZXNY-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001569696236 1169968196 /nfs/dbraw/zinc/96/81/96/1169968196.db2.gz YVZOGGJXHQRRJT-INIZCTEOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001569677668 1169964586 /nfs/dbraw/zinc/96/45/86/1169964586.db2.gz DKJLOLADFZREPG-KRWDZBQOSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CCC1 ZINC001570106393 1170081572 /nfs/dbraw/zinc/08/15/72/1170081572.db2.gz AQCOTKYVAUTYBE-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001570543315 1170185339 /nfs/dbraw/zinc/18/53/39/1170185339.db2.gz GFBJBPDRIDPEIW-HUUCEWRRSA-N 2 0 281.444 1.681 10 30 CDEERP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001570958775 1170322561 /nfs/dbraw/zinc/32/25/61/1170322561.db2.gz QQQOALYSYMYEFV-PHZGNYQRSA-N 2 0 291.439 1.036 10 30 CDEERP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001571348740 1170377533 /nfs/dbraw/zinc/37/75/33/1170377533.db2.gz NTBWZAIQFAWPLN-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001656176112 1171783962 /nfs/dbraw/zinc/78/39/62/1171783962.db2.gz OTJJWWYZRQDPAI-GEEKYZPCSA-N 2 0 291.439 1.367 10 30 CDEERP C#C[C@H]([NH2+]CC1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC001657841917 1171991935 /nfs/dbraw/zinc/99/19/35/1171991935.db2.gz USLKEMDIOPVVFA-GJZGRUSLSA-N 2 0 250.386 1.489 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001661678737 1172425989 /nfs/dbraw/zinc/42/59/89/1172425989.db2.gz UHDJFMLFNXBSMC-BETUJISGSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001673397399 1172564428 /nfs/dbraw/zinc/56/44/28/1172564428.db2.gz QQCWCFBHNMABCQ-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001662790270 1172594236 /nfs/dbraw/zinc/59/42/36/1172594236.db2.gz FRMHXLBINLLKKT-HUUCEWRRSA-N 2 0 291.439 1.675 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001667198276 1173244579 /nfs/dbraw/zinc/24/45/79/1173244579.db2.gz OSGFNOWLXJPJJJ-LSDHHAIUSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001669844901 1173619093 /nfs/dbraw/zinc/61/90/93/1173619093.db2.gz HJUSYOLPUSQATQ-CYBMUJFWSA-N 2 0 299.378 1.503 10 30 CDEERP C#CC[N@H+]1CCc2c(CNC(=O)CC[NH+](C)C)cccc2C1 ZINC001673079861 1173825853 /nfs/dbraw/zinc/82/58/53/1173825853.db2.gz RQNYREHPJSRAPX-UHFFFAOYSA-N 2 0 299.418 1.246 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001674674501 1173985019 /nfs/dbraw/zinc/98/50/19/1173985019.db2.gz SXLCPFDYBAGZDD-KGLIPLIRSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001676813610 1174277381 /nfs/dbraw/zinc/27/73/81/1174277381.db2.gz BAFXJEYANWIIMD-DZKIICNBSA-N 2 0 277.412 1.073 10 30 CDEERP C=CC[N@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001691904725 1175648653 /nfs/dbraw/zinc/64/86/53/1175648653.db2.gz HHSRGWMQPSPNPB-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1CC ZINC001692217888 1175704233 /nfs/dbraw/zinc/70/42/33/1175704233.db2.gz RAWUUBQXHJIPCL-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001698699630 1175897762 /nfs/dbraw/zinc/89/77/62/1175897762.db2.gz ZALRAMLSCFGTHE-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001698861596 1175967176 /nfs/dbraw/zinc/96/71/76/1175967176.db2.gz QQRCOYXHUGQKHF-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001698938716 1175989759 /nfs/dbraw/zinc/98/97/59/1175989759.db2.gz NRWXXXRCNFVWIG-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001698963709 1175998249 /nfs/dbraw/zinc/99/82/49/1175998249.db2.gz VPDACCWGEVTVNJ-HNNXBMFYSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001699657849 1176554212 /nfs/dbraw/zinc/55/42/12/1176554212.db2.gz UJWVSCPJLNMXKZ-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001699694792 1176568990 /nfs/dbraw/zinc/56/89/90/1176568990.db2.gz NLJMAAXMFIYQII-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001699743903 1176600875 /nfs/dbraw/zinc/60/08/75/1176600875.db2.gz RNYVIEWLLRRNGV-CABCVRRESA-N 2 0 279.428 1.319 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001700544923 1177008717 /nfs/dbraw/zinc/00/87/17/1177008717.db2.gz DAJRQYQGUYBQOA-KGLIPLIRSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001700828650 1177152419 /nfs/dbraw/zinc/15/24/19/1177152419.db2.gz LAYVLQAWCNBFCR-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001700890560 1177181164 /nfs/dbraw/zinc/18/11/64/1177181164.db2.gz WTQFUOWHBZZRSM-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001707055018 1177929432 /nfs/dbraw/zinc/92/94/32/1177929432.db2.gz PSDYVZVEFFIVMV-OAHLLOKOSA-N 2 0 293.455 1.520 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001707447262 1178051673 /nfs/dbraw/zinc/05/16/73/1178051673.db2.gz XVHGPZKGVIURDY-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001713088266 1178361254 /nfs/dbraw/zinc/36/12/54/1178361254.db2.gz ALWUHQRQQIGLFC-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001713131911 1178387786 /nfs/dbraw/zinc/38/77/86/1178387786.db2.gz OLQMSNDHRLVSNJ-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001713159966 1178404934 /nfs/dbraw/zinc/40/49/34/1178404934.db2.gz AOOGJFWYDAHQIX-ZQDZILKHSA-N 2 0 279.428 1.530 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713219241 1178439064 /nfs/dbraw/zinc/43/90/64/1178439064.db2.gz LXVXLRJMUPACKY-HZPDHXFCSA-N 2 0 295.471 1.977 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714107959 1178975604 /nfs/dbraw/zinc/97/56/04/1178975604.db2.gz WJEOVOZUYGHLJC-CABCVRRESA-N 2 0 279.428 1.367 10 30 CDEERP CC#CC[NH2+]C[C@@](C)(NC(=O)CCC[NH+](C)C)C1CC1 ZINC001714170611 1179000741 /nfs/dbraw/zinc/00/07/41/1179000741.db2.gz VHCWIKVNJGDJCV-MRXNPFEDSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001714446673 1179143410 /nfs/dbraw/zinc/14/34/10/1179143410.db2.gz VWXAJOWZIIWBJC-JKSUJKDBSA-N 2 0 293.455 1.519 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001714563366 1179220012 /nfs/dbraw/zinc/22/00/12/1179220012.db2.gz GDFMFFQIOPXMBC-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001714652633 1179298599 /nfs/dbraw/zinc/29/85/99/1179298599.db2.gz CHOFVWHHDHHCMF-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001714677427 1179318913 /nfs/dbraw/zinc/31/89/13/1179318913.db2.gz TUQLHVJXOLUCEF-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001714890347 1179438732 /nfs/dbraw/zinc/43/87/32/1179438732.db2.gz HRTRYIVQPAKTLR-JKSUJKDBSA-N 2 0 293.455 1.826 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001715100140 1179551387 /nfs/dbraw/zinc/55/13/87/1179551387.db2.gz MAVYHRMXQPEXMR-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715190466 1179573007 /nfs/dbraw/zinc/57/30/07/1179573007.db2.gz LWRBNHYDBFIGSC-OWCLPIDISA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001715312345 1179618644 /nfs/dbraw/zinc/61/86/44/1179618644.db2.gz SABFGWIDVMTWDT-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001715426057 1179664701 /nfs/dbraw/zinc/66/47/01/1179664701.db2.gz LWOGCMMHXLYGFW-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@@H+](C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001715480318 1179677730 /nfs/dbraw/zinc/67/77/30/1179677730.db2.gz DQJJCDWGYPYPCF-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715644153 1179751368 /nfs/dbraw/zinc/75/13/68/1179751368.db2.gz DHEHRDQDDXHCGH-MGPQQGTHSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715682280 1179763295 /nfs/dbraw/zinc/76/32/95/1179763295.db2.gz JUPCUYJQYYUHNO-AAEUAGOBSA-N 2 0 287.835 1.565 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001715775897 1179799978 /nfs/dbraw/zinc/79/99/78/1179799978.db2.gz AIOGBYLHRINUFZ-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001716681386 1180366763 /nfs/dbraw/zinc/36/67/63/1180366763.db2.gz NREDRSDZFZCDLG-CQSZACIVSA-N 2 0 279.428 1.674 10 30 CDEERP C=CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001716849017 1180438551 /nfs/dbraw/zinc/43/85/51/1180438551.db2.gz PMRBWQMRVUSBPF-UKRRQHHQSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001716879911 1180451457 /nfs/dbraw/zinc/45/14/57/1180451457.db2.gz BBOGYQJVDCOPGZ-DOTOQJQBSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001716983959 1180492136 /nfs/dbraw/zinc/49/21/36/1180492136.db2.gz AGPSDTVBVLYLMH-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC001717631136 1180764129 /nfs/dbraw/zinc/76/41/29/1180764129.db2.gz NKFWOVIYUKUJRQ-CALCHBBNSA-N 2 0 293.455 1.685 10 30 CDEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001717741457 1180821288 /nfs/dbraw/zinc/82/12/88/1180821288.db2.gz YFZZDQXGLKKHRN-HNNXBMFYSA-N 2 0 289.423 1.075 10 30 CDEERP CC#CC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001717986020 1180957839 /nfs/dbraw/zinc/95/78/39/1180957839.db2.gz YQZQNJMAIFWISK-HNNXBMFYSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001718026477 1180974552 /nfs/dbraw/zinc/97/45/52/1180974552.db2.gz LGAGEQUAFJCKQN-UHFFFAOYSA-N 2 0 279.428 1.653 10 30 CDEERP C#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001725002901 1181821012 /nfs/dbraw/zinc/82/10/12/1181821012.db2.gz MQVMWRFHWKLDIW-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001725066127 1181843009 /nfs/dbraw/zinc/84/30/09/1181843009.db2.gz HLEPRIOQLUVXND-UYSNPLJNSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001725074861 1181846842 /nfs/dbraw/zinc/84/68/42/1181846842.db2.gz AHTOQEWQUIIISW-UYSNPLJNSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@@H+](C)CC)C[C@@]2(C)C1 ZINC001725347402 1181966669 /nfs/dbraw/zinc/96/66/69/1181966669.db2.gz SWLLFGIJEXARGL-CALCHBBNSA-N 2 0 291.439 1.132 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001725508961 1182030291 /nfs/dbraw/zinc/03/02/91/1182030291.db2.gz IHPDZQOYIOSSJJ-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001725517561 1182032913 /nfs/dbraw/zinc/03/29/13/1182032913.db2.gz HJIQRLOESNGOMF-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001725595849 1182067249 /nfs/dbraw/zinc/06/72/49/1182067249.db2.gz PRVZGXJHIAQFLX-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001731277584 1182281553 /nfs/dbraw/zinc/28/15/53/1182281553.db2.gz JDGBNLRGHNKMSR-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001731536161 1182438406 /nfs/dbraw/zinc/43/84/06/1182438406.db2.gz LPIDGUYETZTZRA-GJZGRUSLSA-N 2 0 299.434 1.823 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001732172001 1182831986 /nfs/dbraw/zinc/83/19/86/1182831986.db2.gz WBCGJWWLYISJAF-CABCVRRESA-N 2 0 281.444 1.826 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732221944 1182867555 /nfs/dbraw/zinc/86/75/55/1182867555.db2.gz ILLGOZKQRJXJNB-HOTGVXAUSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)C[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001732323927 1182905561 /nfs/dbraw/zinc/90/55/61/1182905561.db2.gz UCHRDALKJVIMEU-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001732372033 1182933580 /nfs/dbraw/zinc/93/35/80/1182933580.db2.gz LIVRIPPTGOOEPV-CQSZACIVSA-N 2 0 289.423 1.890 10 30 CDEERP C=CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001732600858 1183042564 /nfs/dbraw/zinc/04/25/64/1183042564.db2.gz WTKPRCHIHUALNQ-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001732958822 1183204924 /nfs/dbraw/zinc/20/49/24/1183204924.db2.gz SAPFMKSOPVUYQZ-HIFRSBDPSA-N 2 0 277.412 1.121 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001733348373 1183405794 /nfs/dbraw/zinc/40/57/94/1183405794.db2.gz HVKOVXWNSXORJU-JYJNAYRXSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001733727166 1183510497 /nfs/dbraw/zinc/51/04/97/1183510497.db2.gz YHIJEZFCXUBQSH-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001734001992 1183610361 /nfs/dbraw/zinc/61/03/61/1183610361.db2.gz PFDPJJUIUHTUBO-STQMWFEESA-N 2 0 265.401 1.141 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001734044035 1183632505 /nfs/dbraw/zinc/63/25/05/1183632505.db2.gz LSVXENJKSIECJK-CQSZACIVSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001734458137 1183785063 /nfs/dbraw/zinc/78/50/63/1183785063.db2.gz KSDVNGVLNBAZFK-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000303885688 745599742 /nfs/dbraw/zinc/59/97/42/745599742.db2.gz JXYHNKAOSFFKSP-GFCCVEGCSA-N 2 0 280.441 1.537 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000876971176 745744762 /nfs/dbraw/zinc/74/47/62/745744762.db2.gz CABFDRLNRDIIKZ-MIMYLULJSA-N 2 0 259.781 1.042 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000876536435 745881780 /nfs/dbraw/zinc/88/17/80/745881780.db2.gz ZCUKEZFEKWSUGX-OUAUKWLOSA-N 2 0 259.781 1.090 10 30 CDEERP C[NH+](C)C[C@@H]1CN(c2cc(C#N)ccn2)C[C@H]1C[NH+](C)C ZINC000866012662 745981688 /nfs/dbraw/zinc/98/16/88/745981688.db2.gz MUNQRHIJYXAUGR-HUUCEWRRSA-N 2 0 287.411 1.129 10 30 CDEERP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303889388 746245159 /nfs/dbraw/zinc/24/51/59/746245159.db2.gz LVEZLYJHYTYJSY-KGLIPLIRSA-N 3 0 283.464 1.105 10 30 CDEERP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])N1CCSCC1 ZINC000261989529 746817597 /nfs/dbraw/zinc/81/75/97/746817597.db2.gz LIWYEGCOGKALSS-GFCCVEGCSA-N 2 0 270.446 1.224 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000876956175 746860747 /nfs/dbraw/zinc/86/07/47/746860747.db2.gz FRXXAPAACHQDQM-UONOGXRCSA-N 2 0 299.846 1.695 10 30 CDEERP C[NH+](C)C1(CNC(=O)C#CC2CC[NH2+]CC2)CCCCC1 ZINC000852803039 747059882 /nfs/dbraw/zinc/05/98/82/747059882.db2.gz YHCLPOWKNSHCLH-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871156799 747279789 /nfs/dbraw/zinc/27/97/89/747279789.db2.gz NOHQAFFHYZWXKF-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000876787059 747336678 /nfs/dbraw/zinc/33/66/78/747336678.db2.gz FMOSHEJQKFFZQF-QWHCGFSZSA-N 2 0 285.819 1.447 10 30 CDEERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000870994193 747851650 /nfs/dbraw/zinc/85/16/50/747851650.db2.gz OTYCFVHPKBPRCU-DOMZBBRYSA-N 2 0 280.416 1.231 10 30 CDEERP N#Cc1ccc([C@@H](O)CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000923366240 748383240 /nfs/dbraw/zinc/38/32/40/748383240.db2.gz ILJJJZLBAQMBPI-IRXDYDNUSA-N 2 0 285.391 1.667 10 30 CDEERP CC(C)C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[NH+](C)C ZINC000852856582 748624801 /nfs/dbraw/zinc/62/48/01/748624801.db2.gz BDVSZERHGNUJCA-HNNXBMFYSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000876524605 748958005 /nfs/dbraw/zinc/95/80/05/748958005.db2.gz QVJZUVQTAAYKAG-GFCCVEGCSA-N 2 0 283.759 1.433 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000876742007 749213439 /nfs/dbraw/zinc/21/34/39/749213439.db2.gz QBDHWRAZCLYPLG-STQMWFEESA-N 2 0 287.835 1.693 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001275168473 1166660305 /nfs/dbraw/zinc/66/03/05/1166660305.db2.gz XOXJCIYYNHQNBO-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001566587825 1168346654 /nfs/dbraw/zinc/34/66/54/1168346654.db2.gz UQVNTNYCNQEHDU-INIZCTEOSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001567173542 1168605510 /nfs/dbraw/zinc/60/55/10/1168605510.db2.gz MXKHNQBKUKPMJM-HZPDHXFCSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001483693971 912863744 /nfs/dbraw/zinc/86/37/44/912863744.db2.gz JDSQGTWFJILGLY-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001567229866 1168631954 /nfs/dbraw/zinc/63/19/54/1168631954.db2.gz ZSDNIAJLBAWQKS-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001480863951 894072076 /nfs/dbraw/zinc/07/20/76/894072076.db2.gz HYLQNHQQDBUBPW-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001266347265 894486782 /nfs/dbraw/zinc/48/67/82/894486782.db2.gz JVFSQRKNKDPBRU-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266731035 895931256 /nfs/dbraw/zinc/93/12/56/895931256.db2.gz OTZJDNFWLJHELJ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001267152040 896934037 /nfs/dbraw/zinc/93/40/37/896934037.db2.gz WNAFBTUMOCHGSH-CQSZACIVSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267557332 898353898 /nfs/dbraw/zinc/35/38/98/898353898.db2.gz CECPJTQXEDELSY-CVEARBPZSA-N 2 0 295.471 1.977 10 30 CDEERP C#CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001480995528 898447921 /nfs/dbraw/zinc/44/79/21/898447921.db2.gz UFBJFYQXZYGDQK-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)CC1CC[NH+](C)CC1 ZINC001267821760 899813894 /nfs/dbraw/zinc/81/38/94/899813894.db2.gz QTCDRROJUPQQDI-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001481277294 899917588 /nfs/dbraw/zinc/91/75/88/899917588.db2.gz NKIAWDXCMPRNHY-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001481346816 900466694 /nfs/dbraw/zinc/46/66/94/900466694.db2.gz FAUJVCSBSVEAMY-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001268142483 901396924 /nfs/dbraw/zinc/39/69/24/901396924.db2.gz QKFGYINUAPSGNY-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)CC1CC[NH+](C)CC1 ZINC001481854810 902229265 /nfs/dbraw/zinc/22/92/65/902229265.db2.gz HAULHQSPVASAHD-AWEZNQCLSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001268595806 902733952 /nfs/dbraw/zinc/73/39/52/902733952.db2.gz JXSZUHPXCPEEBC-PLNGDYQASA-N 2 0 279.428 1.556 10 30 CDEERP C=CCC[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001269740203 904077236 /nfs/dbraw/zinc/07/72/36/904077236.db2.gz BWYMHZDZMUZZDQ-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001270121206 904378653 /nfs/dbraw/zinc/37/86/53/904378653.db2.gz KYLTYWDFLLEXIM-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001270259358 904486764 /nfs/dbraw/zinc/48/67/64/904486764.db2.gz NVTSHFXENAADSG-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001271052525 905589809 /nfs/dbraw/zinc/58/98/09/905589809.db2.gz VOJIXXFMCGVZSS-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001271551413 906513775 /nfs/dbraw/zinc/51/37/75/906513775.db2.gz QPAWPFRUKZRGSQ-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001271720702 906632631 /nfs/dbraw/zinc/63/26/31/906632631.db2.gz FLHIYKJPGUYSOW-GJZGRUSLSA-N 2 0 279.428 1.034 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001482565433 907146935 /nfs/dbraw/zinc/14/69/35/907146935.db2.gz HOEHADFNNAPREK-ZIAGYGMSSA-N 2 0 269.433 1.489 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001482885898 908457606 /nfs/dbraw/zinc/45/76/06/908457606.db2.gz LZNTZESCMYIANC-HNNXBMFYSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482891174 908470304 /nfs/dbraw/zinc/47/03/04/908470304.db2.gz LGUZJIFXHCDUPP-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001568034164 1169125194 /nfs/dbraw/zinc/12/51/94/1169125194.db2.gz MRZVACXQHNWYMM-OAHLLOKOSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001483848714 915110067 /nfs/dbraw/zinc/11/00/67/915110067.db2.gz ZMVPKROIYCEFIS-QGZVFWFLSA-N 2 0 291.439 1.276 10 30 CDEERP C#CCC[NH+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001484048935 915352805 /nfs/dbraw/zinc/35/28/05/915352805.db2.gz YBEQOVFHQPVTEB-RDJZCZTQSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001484727519 916085271 /nfs/dbraw/zinc/08/52/71/916085271.db2.gz SUSWQMNUDOWDBL-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001484910897 916261576 /nfs/dbraw/zinc/26/15/76/916261576.db2.gz YLCNVHDUYDHLMV-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001484978295 916356963 /nfs/dbraw/zinc/35/69/63/916356963.db2.gz JKTSWIJUJKWZPG-KBPBESRZSA-N 2 0 279.428 1.626 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001484993877 916377668 /nfs/dbraw/zinc/37/76/68/916377668.db2.gz OUIDYEZHXGQMRM-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001485428112 916974542 /nfs/dbraw/zinc/97/45/42/916974542.db2.gz IFYXTRUDYUBFHM-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485747295 917253060 /nfs/dbraw/zinc/25/30/60/917253060.db2.gz APHXZIHVUYSVDP-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001485762870 917264293 /nfs/dbraw/zinc/26/42/93/917264293.db2.gz JWNDSCOVPJGWIR-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC001568254106 1169198886 /nfs/dbraw/zinc/19/88/86/1169198886.db2.gz YZYSAEQPSRRWDB-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001568274379 1169216345 /nfs/dbraw/zinc/21/63/45/1169216345.db2.gz UUFREGFCWINTGA-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001485837555 920085624 /nfs/dbraw/zinc/08/56/24/920085624.db2.gz PVKWDCXFXIZODK-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001491116840 936860320 /nfs/dbraw/zinc/86/03/20/936860320.db2.gz BTIDPKLMQNFPNQ-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001491537883 936930127 /nfs/dbraw/zinc/93/01/27/936930127.db2.gz GKWKBZFUZTYMDL-CQSZACIVSA-N 2 0 287.407 1.132 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001491538085 936930210 /nfs/dbraw/zinc/93/02/10/936930210.db2.gz IUTGYMWEZFDSOQ-OAHLLOKOSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001568417241 1169278584 /nfs/dbraw/zinc/27/85/84/1169278584.db2.gz UMXNHLYVRHVNLZ-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274034483 931133295 /nfs/dbraw/zinc/13/32/95/931133295.db2.gz FZGQAQRJLDEGKE-FHFZEBMASA-N 2 0 279.428 1.555 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001274153733 931206368 /nfs/dbraw/zinc/20/63/68/931206368.db2.gz MHYKPMAKEVAMDR-MWWKQMNYSA-N 2 0 291.439 1.392 10 30 CDEERP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001274509172 931505185 /nfs/dbraw/zinc/50/51/85/931505185.db2.gz KQFQHGUBUGCWFG-YVACAVLKSA-N 2 0 291.439 1.699 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001274608420 931519030 /nfs/dbraw/zinc/51/90/30/931519030.db2.gz FUZARWJRDAFHGH-LLYBFZRZSA-N 2 0 277.412 1.002 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001275789980 932035669 /nfs/dbraw/zinc/03/56/69/932035669.db2.gz FJXIKNFHAHGTAP-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[C@@H]1CC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000934469722 933942577 /nfs/dbraw/zinc/94/25/77/933942577.db2.gz YRVVNQKXONWHOI-OAHLLOKOSA-N 2 0 279.428 1.626 10 30 CDEERP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001279577566 942395098 /nfs/dbraw/zinc/39/50/98/942395098.db2.gz TYMATQVNAFBWJP-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001282479451 942721428 /nfs/dbraw/zinc/72/14/28/942721428.db2.gz WXUJUKSGHHATQN-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001282833996 942755736 /nfs/dbraw/zinc/75/57/36/942755736.db2.gz SATDHXBSGHVVJZ-GJZGRUSLSA-N 2 0 293.455 1.423 10 30 CDEERP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001284015380 943051875 /nfs/dbraw/zinc/05/18/75/943051875.db2.gz RRYPWSGGDTUZFI-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)Cc1cn2c(n1)CCCC2 ZINC001277827377 943725995 /nfs/dbraw/zinc/72/59/95/943725995.db2.gz WGMBMEIVAYTSGZ-ZDUSSCGKSA-N 2 0 290.411 1.384 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001277852179 943820923 /nfs/dbraw/zinc/82/09/23/943820923.db2.gz UJFXXUJCBKJTJB-GJZGRUSLSA-N 2 0 277.412 1.095 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001263871311 944015539 /nfs/dbraw/zinc/01/55/39/944015539.db2.gz DEYRQDQQLYADNE-HDJSIYSDSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C(C)C ZINC001264009952 944062921 /nfs/dbraw/zinc/06/29/21/944062921.db2.gz GMZPQLURCYUBMY-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001265590557 944439885 /nfs/dbraw/zinc/43/98/85/944439885.db2.gz CHXOQZUBPGORDB-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001265853026 944541465 /nfs/dbraw/zinc/54/14/65/944541465.db2.gz MCYQGQAHBZLJFY-OLZOCXBDSA-N 2 0 255.406 1.243 10 30 CDEERP C=C(C)CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001265971362 944606065 /nfs/dbraw/zinc/60/60/65/944606065.db2.gz KRQZZCAIYMIVFU-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001266234683 944775977 /nfs/dbraw/zinc/77/59/77/944775977.db2.gz JBFBHKFJHFNNOQ-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001479857891 971456686 /nfs/dbraw/zinc/45/66/86/971456686.db2.gz DNPHBSQVEIYRRB-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC001569038039 1169606533 /nfs/dbraw/zinc/60/65/33/1169606533.db2.gz FDHKVAHTZIZBGP-GDBMZVCRSA-N 2 0 287.407 1.407 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001480595544 971799566 /nfs/dbraw/zinc/79/95/66/971799566.db2.gz CBTWMHJBTMADBG-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001324648495 953494562 /nfs/dbraw/zinc/49/45/62/953494562.db2.gz URPYAVDKXSJPPR-INIZCTEOSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001325458220 953912830 /nfs/dbraw/zinc/91/28/30/953912830.db2.gz VHRZOBBASWCVET-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001569172827 1169701419 /nfs/dbraw/zinc/70/14/19/1169701419.db2.gz ACLBSOISXBIEPF-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001493255069 971999287 /nfs/dbraw/zinc/99/92/87/971999287.db2.gz NWKZLVHKTZPTCG-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCC1 ZINC001326846179 954588004 /nfs/dbraw/zinc/58/80/04/954588004.db2.gz QMRFTRIFESIMLK-UHFFFAOYSA-N 2 0 289.423 1.267 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001327903584 955107431 /nfs/dbraw/zinc/10/74/31/955107431.db2.gz OSDGWHPNIISXGK-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC001328279775 955250066 /nfs/dbraw/zinc/25/00/66/955250066.db2.gz PXACPVSBGQPCQT-CABCVRRESA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001493849785 972124429 /nfs/dbraw/zinc/12/44/29/972124429.db2.gz KFQNBSCCWRVICO-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001329515258 955960540 /nfs/dbraw/zinc/96/05/40/955960540.db2.gz LNYVIYQKMDLALP-ZNMIVQPWSA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001316906439 957112576 /nfs/dbraw/zinc/11/25/76/957112576.db2.gz BKKMSKBQRJZGOT-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001317124382 957289279 /nfs/dbraw/zinc/28/92/79/957289279.db2.gz KLULXPBMYCOQGC-JONQDZQNSA-N 2 0 291.439 1.367 10 30 CDEERP CC#CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001317216899 957349245 /nfs/dbraw/zinc/34/92/45/957349245.db2.gz JIFLEWUVYPUXKG-UYSNPLJNSA-N 2 0 291.439 1.511 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001317536519 957535282 /nfs/dbraw/zinc/53/52/82/957535282.db2.gz KPMZSYFCSADEPP-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001318564144 958174477 /nfs/dbraw/zinc/17/44/77/958174477.db2.gz YELPTPNRVGLNKR-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001321097840 959591048 /nfs/dbraw/zinc/59/10/48/959591048.db2.gz QTYHGSJGBKZECC-NQHOJNORSA-N 2 0 299.846 1.875 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001323530653 960794582 /nfs/dbraw/zinc/79/45/82/960794582.db2.gz OTRQDPPTVLXENJ-UHFFFAOYSA-N 2 0 253.390 1.143 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001419913881 962232002 /nfs/dbraw/zinc/23/20/02/962232002.db2.gz YOFIDUZZGUEIHR-NEPJUHHUSA-N 2 0 273.808 1.175 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC001344409972 964301527 /nfs/dbraw/zinc/30/15/27/964301527.db2.gz BFYHJLAVIQJBNY-CHWSQXEVSA-N 2 0 267.417 1.564 10 30 CDEERP C=C(CC)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001443435553 965464969 /nfs/dbraw/zinc/46/49/69/965464969.db2.gz PYMTVEMTMZFADR-UHFFFAOYSA-N 2 0 269.433 1.685 10 30 CDEERP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@H+]2C1 ZINC001528459080 968855901 /nfs/dbraw/zinc/85/59/01/968855901.db2.gz ZVNNRRKNMNNDDN-OAGGEKHMSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001496370962 972901021 /nfs/dbraw/zinc/90/10/21/972901021.db2.gz XEMAPZPNLGMOBR-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001569696237 1169967970 /nfs/dbraw/zinc/96/79/70/1169967970.db2.gz YVZOGGJXHQRRJT-MRXNPFEDSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001505456052 974886104 /nfs/dbraw/zinc/88/61/04/974886104.db2.gz NQJWWOZJBIURJH-HNNXBMFYSA-N 2 0 291.439 1.581 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001506894973 975249487 /nfs/dbraw/zinc/24/94/87/975249487.db2.gz XIBDHTRTEGQXKN-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507028626 975300488 /nfs/dbraw/zinc/30/04/88/975300488.db2.gz RUWRKNQSAMXYOU-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001507160758 975358601 /nfs/dbraw/zinc/35/86/01/975358601.db2.gz FSAXTOCXEBKNHX-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001378498079 975366544 /nfs/dbraw/zinc/36/65/44/975366544.db2.gz REEZXLRBGQESAT-ZIAGYGMSSA-N 2 0 299.846 1.804 10 30 CDEERP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001507329565 975418679 /nfs/dbraw/zinc/41/86/79/975418679.db2.gz WAFCHPNEFXZRBL-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001507402250 975454150 /nfs/dbraw/zinc/45/41/50/975454150.db2.gz XCAQITYTPJISSA-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001674749440 1174003591 /nfs/dbraw/zinc/00/35/91/1174003591.db2.gz ZFKNSWOLWBCAQA-LSDHHAIUSA-N 2 0 293.455 1.613 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001676756073 1174267124 /nfs/dbraw/zinc/26/71/24/1174267124.db2.gz PKVHETHWLLXRDT-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC001571559981 1170478025 /nfs/dbraw/zinc/47/80/25/1170478025.db2.gz PGZGWURFTVXOQG-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001656219713 1171795027 /nfs/dbraw/zinc/79/50/27/1171795027.db2.gz YTWAYHJHYDOMRU-SHTZXODSSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)C(C)C ZINC000121233712 342088154 /nfs/dbraw/zinc/08/81/54/342088154.db2.gz BLKNXWJHMMXBPU-WBVHZDCISA-N 2 0 293.455 1.943 10 30 CDEERP N#Cc1cnccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000592494256 342696668 /nfs/dbraw/zinc/69/66/68/342696668.db2.gz OIEKELLMSPEWGH-KBPBESRZSA-N 2 0 270.380 1.775 10 30 CDEERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594435254 342898934 /nfs/dbraw/zinc/89/89/34/342898934.db2.gz CVRJZBZRMYHTOO-CQSZACIVSA-N 2 0 282.432 1.444 10 30 CDEERP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594435830 342899253 /nfs/dbraw/zinc/89/92/53/342899253.db2.gz ADBNUSXNMGNWAZ-ZIAGYGMSSA-N 2 0 280.416 1.388 10 30 CDEERP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])CCCCC#N)CC[N@@H+]1C ZINC000594437382 342905788 /nfs/dbraw/zinc/90/57/88/342905788.db2.gz BQZMJVUBGZMKCG-HZSPNIEDSA-N 2 0 280.416 1.339 10 30 CDEERP CC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594440638 342907147 /nfs/dbraw/zinc/90/71/47/342907147.db2.gz HGGBJRMMBZKVTA-AWEZNQCLSA-N 2 0 280.416 1.246 10 30 CDEERP C[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594444843 342908465 /nfs/dbraw/zinc/90/84/65/342908465.db2.gz ZCRCTVMMZUHIPX-VXGBXAGGSA-N 2 0 254.378 1.031 10 30 CDEERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594424405 342904069 /nfs/dbraw/zinc/90/40/69/342904069.db2.gz DDPVDPJRVXFLAX-DOMZBBRYSA-N 2 0 288.395 1.734 10 30 CDEERP CC[C@H]([NH2+]CCOCC[NH2+]C)c1ccc(C#N)cc1 ZINC000600707669 349876086 /nfs/dbraw/zinc/87/60/86/349876086.db2.gz AAPJZJMOOYZFGN-HNNXBMFYSA-N 2 0 261.369 1.835 10 30 CDEERP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528475005 367854840 /nfs/dbraw/zinc/85/48/40/367854840.db2.gz JTOGRKQJNIJKRP-KBPBESRZSA-N 2 0 265.401 1.457 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001661437017 1172390271 /nfs/dbraw/zinc/39/02/71/1172390271.db2.gz WUAYIOUKPGBKKV-KLHDSHLOSA-N 2 0 291.439 1.816 10 30 CDEERP C=CC[C@]1(C(=O)NCc2cccc3c2CC[NH2+]C3)CCC[NH2+]1 ZINC000638847701 375083511 /nfs/dbraw/zinc/08/35/11/375083511.db2.gz VZNZGUKUOVYMSY-GOSISDBHSA-N 2 0 299.418 1.647 10 30 CDEERP C=CCOc1ccc(C[N@H+](C)CCOCC[NH3+])cc1 ZINC000647872220 391120031 /nfs/dbraw/zinc/12/00/31/391120031.db2.gz IEFUANMUKAYAEM-UHFFFAOYSA-N 2 0 264.369 1.659 10 30 CDEERP C=CCOCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000338914464 391233878 /nfs/dbraw/zinc/23/38/78/391233878.db2.gz ZPJPQEIGVCRMFZ-UHFFFAOYSA-N 2 0 252.402 1.997 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001663634078 1172737290 /nfs/dbraw/zinc/73/72/90/1172737290.db2.gz NUMYMQYROSOADH-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)CCC=C ZINC001663988790 1172797467 /nfs/dbraw/zinc/79/74/67/1172797467.db2.gz MIQHFASGYMELSM-CVEARBPZSA-N 2 0 291.439 1.487 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H](CC(C)C)[NH+](C)C)CCC[NH2+]1 ZINC000662673888 413290404 /nfs/dbraw/zinc/29/04/04/413290404.db2.gz RXZNNRSOSRCNRV-HOCLYGCPSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662694945 413328080 /nfs/dbraw/zinc/32/80/80/413328080.db2.gz FAOVEBTXLQPOPD-ZMSDIMECSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2CCCC[N@H+]2CC)CCC[NH2+]1 ZINC000662717094 413372687 /nfs/dbraw/zinc/37/26/87/413372687.db2.gz XEEAFSCDABFTCW-GDBMZVCRSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCC[NH2+]1 ZINC000662719621 413378543 /nfs/dbraw/zinc/37/85/43/413378543.db2.gz HPMVEIGCDXPBNS-GOEBONIOSA-N 2 0 277.412 1.285 10 30 CDEERP C=CC[C@]1(C(=O)NC2CC[NH+](C(C)C)CC2)CCC[NH2+]1 ZINC000662785334 413495023 /nfs/dbraw/zinc/49/50/23/413495023.db2.gz GRFKIRGFZNUPCK-MRXNPFEDSA-N 2 0 279.428 1.674 10 30 CDEERP CC[NH+](CC)CCNC(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000043582574 175069879 /nfs/dbraw/zinc/06/98/79/175069879.db2.gz GNSDRCSSRCUNSH-UHFFFAOYSA-N 2 0 291.370 1.208 10 30 CDEERP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#CC[NH3+])s2)C1 ZINC000044560319 175203885 /nfs/dbraw/zinc/20/38/85/175203885.db2.gz UEQHMDBYOZHBQT-LBPRGKRZSA-N 2 0 291.420 1.130 10 30 CDEERP C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C#CC[NH3+])s1 ZINC000044566232 175208176 /nfs/dbraw/zinc/20/81/76/175208176.db2.gz HTANEZXLZPLRGL-GFCCVEGCSA-N 2 0 291.420 1.272 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001666259068 1173121994 /nfs/dbraw/zinc/12/19/94/1173121994.db2.gz KHBSCYWEHWXFLK-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001666314476 1173125895 /nfs/dbraw/zinc/12/58/95/1173125895.db2.gz HCFOVRLXFKOKBG-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000111256320 262258593 /nfs/dbraw/zinc/25/85/93/262258593.db2.gz KDBBXNGKPUWKJS-UHFFFAOYSA-N 2 0 291.439 1.627 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCC[NH2+]1 ZINC000662688289 424319280 /nfs/dbraw/zinc/31/92/80/424319280.db2.gz NTXMNZWAWOXYJQ-SQWLQELKSA-N 2 0 277.412 1.428 10 30 CDEERP C=CC[C@@]1(C(=O)NCCC[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000662783308 424460029 /nfs/dbraw/zinc/46/00/29/424460029.db2.gz DUHHDUCBCDAGQL-ZFWWWQNUSA-N 2 0 265.401 1.333 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001667216717 1173246598 /nfs/dbraw/zinc/24/65/98/1173246598.db2.gz KFBCIKILBXOCMU-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001669967361 1173637703 /nfs/dbraw/zinc/63/77/03/1173637703.db2.gz KNSDCKQUXIGXDR-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001673390921 1173853371 /nfs/dbraw/zinc/85/33/71/1173853371.db2.gz IRRBLMWXWSOYRM-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000177491096 329184602 /nfs/dbraw/zinc/18/46/02/329184602.db2.gz PLSRNMDAGQDQTG-GOEBONIOSA-N 2 0 284.444 1.338 10 30 CDEERP N#C[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000185781260 329331887 /nfs/dbraw/zinc/33/18/87/329331887.db2.gz CGZODFJDADUJGM-LSDHHAIUSA-N 2 0 265.401 1.771 10 30 CDEERP C[C@@H]1CCC[C@](CNC(=[NH2+])NC[C@H]2CCCO2)([NH+](C)C)C1 ZINC000261982775 329993928 /nfs/dbraw/zinc/99/39/28/329993928.db2.gz PIHBGJCDFLIXPR-FMKPAKJESA-N 2 0 296.459 1.580 10 30 CDEERP CC(C)C[N@@H+]1CCCC[C@@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262473021 330015852 /nfs/dbraw/zinc/01/58/52/330015852.db2.gz BQFYQZINWIGTDY-CHWSQXEVSA-N 2 0 252.406 1.434 10 30 CDEERP [NH2+]=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC1CC1 ZINC000262778284 330030827 /nfs/dbraw/zinc/03/08/27/330030827.db2.gz IOOLJJZWNKIZQJ-CQSZACIVSA-N 2 0 264.417 1.850 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481115313 1159531013 /nfs/dbraw/zinc/53/10/13/1159531013.db2.gz WLORIMZXDZKEJH-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001670843260 1160572938 /nfs/dbraw/zinc/57/29/38/1160572938.db2.gz VCIIYZCUOJESJK-UHFFFAOYSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001725177807 1181908122 /nfs/dbraw/zinc/90/81/22/1181908122.db2.gz LUIFPPUPCKNIRG-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP COC[C@@H](C)[N@H+](C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609581 522218836 /nfs/dbraw/zinc/21/88/36/522218836.db2.gz ZZDKYHPUPFAVOR-GFCCVEGCSA-N 2 0 264.344 1.603 10 30 CDEERP COCC[N@H+](C)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049609873 523623455 /nfs/dbraw/zinc/62/34/55/523623455.db2.gz KAQARJSQMUSWLK-UHFFFAOYSA-N 2 0 262.353 1.084 10 30 CDEERP CC[C@H](C)[NH+]1CCN(Cc2ccc(C#CC[NH3+])cc2)CC1 ZINC000055069313 523956341 /nfs/dbraw/zinc/95/63/41/523956341.db2.gz ZMMFNIVDRPWHAB-INIZCTEOSA-N 2 0 285.435 1.913 10 30 CDEERP COc1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1C#CC[NH3+] ZINC000049609001 524009498 /nfs/dbraw/zinc/00/94/98/524009498.db2.gz OVRYAEMUZRYEMG-OAHLLOKOSA-N 2 0 290.432 1.943 10 30 CDEERP C[C@H](C[C@@](C)(N)C#N)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000068615395 524630428 /nfs/dbraw/zinc/63/04/28/524630428.db2.gz LBXDLBZJBCKFKO-GDBMZVCRSA-N 2 0 278.444 1.814 10 30 CDEERP [NH3+]CC#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1CO ZINC000049609769 527148648 /nfs/dbraw/zinc/14/86/48/527148648.db2.gz SIRHVQBDZQRSMY-HNNXBMFYSA-N 2 0 262.328 1.093 10 30 CDEERP [NH3+]CC#Cc1cc(F)ccc1CN1CC[NH+](C2CC2)CC1 ZINC000049609950 527149160 /nfs/dbraw/zinc/14/91/60/527149160.db2.gz PKUSDIIXLGYEGW-UHFFFAOYSA-N 2 0 287.382 1.416 10 30 CDEERP [NH3+]CC#Cc1cccc(OCC[N@@H+]2CCCSCC2)c1 ZINC000049609941 527153647 /nfs/dbraw/zinc/15/36/47/527153647.db2.gz CAIGYXIHVZTWDL-UHFFFAOYSA-N 2 0 290.432 1.815 10 30 CDEERP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001690125319 1175381019 /nfs/dbraw/zinc/38/10/19/1175381019.db2.gz CAAJYWPZYFOOFT-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000876973315 630587668 /nfs/dbraw/zinc/58/76/68/630587668.db2.gz DCXJPJSZWSAVKP-QWRGUYRKSA-N 2 0 259.781 1.057 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001690317327 1175434633 /nfs/dbraw/zinc/43/46/33/1175434633.db2.gz GBFXZXZXAKHHGN-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939754317 613386967 /nfs/dbraw/zinc/38/69/67/613386967.db2.gz MHHIUTRLCWGSJW-YPMHNXCESA-N 2 0 285.819 1.271 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940843113 613745485 /nfs/dbraw/zinc/74/54/85/613745485.db2.gz XGVYHMRFFSENNV-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C[C@@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)N1CC[NH+](C)CC1 ZINC000902793604 625409985 /nfs/dbraw/zinc/40/99/85/625409985.db2.gz LCPDNQMFIXUOGK-KBPBESRZSA-N 2 0 287.411 1.240 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000900120134 622705609 /nfs/dbraw/zinc/70/56/09/622705609.db2.gz VBGMFXLNDLCSNM-UHFFFAOYSA-N 2 0 279.428 1.581 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000900216886 622809392 /nfs/dbraw/zinc/80/93/92/622809392.db2.gz YONCXXBGLZSICW-KGLIPLIRSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000900343824 622918658 /nfs/dbraw/zinc/91/86/58/622918658.db2.gz HJXVSCZNPNLGQJ-DZGCQCFKSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)C(=C)CC[NH+](C)C)CC1 ZINC000900600057 623277441 /nfs/dbraw/zinc/27/74/41/623277441.db2.gz VRJXKYTUALMCPX-UHFFFAOYSA-N 2 0 265.401 1.261 10 30 CDEERP C=CCC[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001691052513 1158840773 /nfs/dbraw/zinc/84/07/73/1158840773.db2.gz SGLVBPDAGVAXGO-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691096014 1158906750 /nfs/dbraw/zinc/90/67/50/1158906750.db2.gz RKRXRSSDUKUGGI-GASCZTMLSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566900053 1168460276 /nfs/dbraw/zinc/46/02/76/1168460276.db2.gz LIDNVICYPGHLCN-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567192509 1168614196 /nfs/dbraw/zinc/61/41/96/1168614196.db2.gz BGHPVCGJVKDQDK-HNNXBMFYSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001567253039 1168642323 /nfs/dbraw/zinc/64/23/23/1168642323.db2.gz BIHRXMBRSSNYRE-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH+]1CC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001567849219 1169014930 /nfs/dbraw/zinc/01/49/30/1169014930.db2.gz UXDOTOAHSVYXHX-KBPBESRZSA-N 2 0 279.428 1.483 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001568140650 1169146707 /nfs/dbraw/zinc/14/67/07/1169146707.db2.gz CVQNBWDJRQONFL-OAHLLOKOSA-N 2 0 289.423 1.076 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001569258071 1169738363 /nfs/dbraw/zinc/73/83/63/1169738363.db2.gz PYGCLZXPULIZCG-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001571565592 1170479333 /nfs/dbraw/zinc/47/93/33/1170479333.db2.gz CFGCHTMBHVAQJF-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001661514879 1172402186 /nfs/dbraw/zinc/40/21/86/1172402186.db2.gz FDDAEIMGZBOYEN-SHTZXODSSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001664391491 1172847353 /nfs/dbraw/zinc/84/73/53/1172847353.db2.gz NCQULCWKBIUESR-UHFFFAOYSA-N 2 0 267.417 1.487 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001666674066 1173170977 /nfs/dbraw/zinc/17/09/77/1173170977.db2.gz ZBWDZJQZXXZVQW-JKSUJKDBSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001667007451 1173221583 /nfs/dbraw/zinc/22/15/83/1173221583.db2.gz AZRFNPUSKZOBCP-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001672287694 1173763638 /nfs/dbraw/zinc/76/36/38/1173763638.db2.gz PNUOYHIEUZNJRI-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001673392183 1173850623 /nfs/dbraw/zinc/85/06/23/1173850623.db2.gz WYOZCZGHEYMVBL-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001688967481 1175077753 /nfs/dbraw/zinc/07/77/53/1175077753.db2.gz WETSQHHTGBNBHU-ARFHVFGLSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001690392354 1175459037 /nfs/dbraw/zinc/45/90/37/1175459037.db2.gz VRHSAVGGRNIOOQ-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001690788598 1175571552 /nfs/dbraw/zinc/57/15/52/1175571552.db2.gz STSWAEDDPTZBIR-HUUCEWRRSA-N 2 0 277.412 1.123 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1CC ZINC001692223307 1175705883 /nfs/dbraw/zinc/70/58/83/1175705883.db2.gz CKOJZSXQCSXABT-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001698969025 1176000523 /nfs/dbraw/zinc/00/05/23/1176000523.db2.gz VHFQPBNQNKBAGC-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001699876482 1176666166 /nfs/dbraw/zinc/66/61/66/1176666166.db2.gz ZDBWQIVBCOHXJS-KRWDZBQOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001700326339 1176853791 /nfs/dbraw/zinc/85/37/91/1176853791.db2.gz CQYQTXQROSBUMS-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001700851193 1177165298 /nfs/dbraw/zinc/16/52/98/1177165298.db2.gz WLLOQECBDFDEKL-KBPBESRZSA-N 2 0 277.412 1.237 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001701024907 1177243553 /nfs/dbraw/zinc/24/35/53/1177243553.db2.gz JPKWGUZETFILDN-UHFFFAOYSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001701029310 1177245704 /nfs/dbraw/zinc/24/57/04/1177245704.db2.gz IGUQXMGCUSNAGQ-IYXRBSQSSA-N 2 0 265.401 1.093 10 30 CDEERP C=CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1 ZINC001707481047 1178075626 /nfs/dbraw/zinc/07/56/26/1178075626.db2.gz QVTLNBSFFVHMRB-ZIAGYGMSSA-N 2 0 288.395 1.670 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001712999404 1178293079 /nfs/dbraw/zinc/29/30/79/1178293079.db2.gz MKMWELROSMVPRF-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001713003749 1178294971 /nfs/dbraw/zinc/29/49/71/1178294971.db2.gz LHJXHQUMAACANQ-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001713052723 1178331435 /nfs/dbraw/zinc/33/14/35/1178331435.db2.gz IRIXUWXFSOWUMB-OAHLLOKOSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001713223610 1178441162 /nfs/dbraw/zinc/44/11/62/1178441162.db2.gz CJQWGKVKCNNCNF-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001713245872 1178452089 /nfs/dbraw/zinc/45/20/89/1178452089.db2.gz JNGPQMGRUYZLKB-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001713311134 1178488293 /nfs/dbraw/zinc/48/82/93/1178488293.db2.gz JMULZVRRWVRXGV-HZSPNIEDSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001713755843 1178740331 /nfs/dbraw/zinc/74/03/31/1178740331.db2.gz JBXJZQJUBYBGOY-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001714214955 1179022367 /nfs/dbraw/zinc/02/23/67/1179022367.db2.gz UWJWWZDVCAJCGI-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001714250306 1179046019 /nfs/dbraw/zinc/04/60/19/1179046019.db2.gz CNTZSCYSAUOXQY-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001714798022 1179402700 /nfs/dbraw/zinc/40/27/00/1179402700.db2.gz NWCKSCQGXICTHJ-UHFFFAOYSA-N 2 0 287.407 1.433 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001715186551 1179571873 /nfs/dbraw/zinc/57/18/73/1179571873.db2.gz GSFNTGMUIMKKOH-SHTZXODSSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001715238816 1179591856 /nfs/dbraw/zinc/59/18/56/1179591856.db2.gz IUXMOUSQPWDANC-LSDHHAIUSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001715264677 1179601561 /nfs/dbraw/zinc/60/15/61/1179601561.db2.gz PESHDYGRGWRART-CQSZACIVSA-N 2 0 297.443 1.015 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001715490856 1179680426 /nfs/dbraw/zinc/68/04/26/1179680426.db2.gz CBOQTZLILZOESY-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001715506943 1179687284 /nfs/dbraw/zinc/68/72/84/1179687284.db2.gz NTENPSOCCXVTGL-CABCVRRESA-N 2 0 281.444 1.326 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)CC[NH+]1CCCCC1)C(C)C ZINC001715730796 1179782347 /nfs/dbraw/zinc/78/23/47/1179782347.db2.gz SFZPKQRVNDHDRV-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001715825988 1179851382 /nfs/dbraw/zinc/85/13/82/1179851382.db2.gz IBIBWDPZYUXIRF-NNTXTVRGSA-N 2 0 265.401 1.309 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001715879788 1179894415 /nfs/dbraw/zinc/89/44/15/1179894415.db2.gz VOKOTMQVLGRBRM-XITLMJRVSA-N 2 0 291.439 1.535 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001716025299 1179999106 /nfs/dbraw/zinc/99/91/06/1179999106.db2.gz VWUBRJVGLXYAKG-LBPRGKRZSA-N 2 0 293.436 1.493 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001716400151 1180186194 /nfs/dbraw/zinc/18/61/94/1180186194.db2.gz XNMWYQYNKZNOML-UKRRQHHQSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001716682089 1180366004 /nfs/dbraw/zinc/36/60/04/1180366004.db2.gz DOTFWIPKWQTJGD-UONOGXRCSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001716682162 1180366725 /nfs/dbraw/zinc/36/67/25/1180366725.db2.gz GWIOJLNQJDYQQK-UHFFFAOYSA-N 2 0 277.412 1.123 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001716848826 1180439170 /nfs/dbraw/zinc/43/91/70/1180439170.db2.gz LLTMSIGSTFPPCY-QGZVFWFLSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001716975293 1180487969 /nfs/dbraw/zinc/48/79/69/1180487969.db2.gz LCOQKBSWWLSIMA-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001717198713 1180569448 /nfs/dbraw/zinc/56/94/48/1180569448.db2.gz WUVNFONGGRZDME-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001717337806 1180622498 /nfs/dbraw/zinc/62/24/98/1180622498.db2.gz ZWLREJUFXARJKZ-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001717373589 1180634950 /nfs/dbraw/zinc/63/49/50/1180634950.db2.gz INRXZIKZOAFCNM-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001717686387 1180790569 /nfs/dbraw/zinc/79/05/69/1180790569.db2.gz BHSCIQGVPZQQCW-HZPDHXFCSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001717840872 1180888119 /nfs/dbraw/zinc/88/81/19/1180888119.db2.gz MHRZYXOUGDHHGY-GOEBONIOSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001717899405 1180920071 /nfs/dbraw/zinc/92/00/71/1180920071.db2.gz PJDXXZUNYRUKLX-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001723203109 1181526128 /nfs/dbraw/zinc/52/61/28/1181526128.db2.gz JLEJUGQVTVEBHJ-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001723302177 1181535466 /nfs/dbraw/zinc/53/54/66/1181535466.db2.gz RMUYUTWRMQIEKG-GJZGRUSLSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001724655833 1181717408 /nfs/dbraw/zinc/71/74/08/1181717408.db2.gz MTXZWNMETXOYFV-GJZGRUSLSA-N 2 0 277.412 1.027 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001725127979 1181876565 /nfs/dbraw/zinc/87/65/65/1181876565.db2.gz LADSYIPSNTZFRD-KGLIPLIRSA-N 2 0 287.407 1.478 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725184718 1181911856 /nfs/dbraw/zinc/91/18/56/1181911856.db2.gz AATSBPXSOVGGCW-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001725373208 1181978642 /nfs/dbraw/zinc/97/86/42/1181978642.db2.gz VATXDYPFXWOFDR-VGWMRTNUSA-N 2 0 291.439 1.367 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001725517559 1182032426 /nfs/dbraw/zinc/03/24/26/1182032426.db2.gz HJIQRLOESNGOMF-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001725584941 1182062543 /nfs/dbraw/zinc/06/25/43/1182062543.db2.gz DLKHSXJWCGLSJW-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001725597243 1182067734 /nfs/dbraw/zinc/06/77/34/1182067734.db2.gz RYDQYOYPKNAUPE-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001725650724 1182086901 /nfs/dbraw/zinc/08/69/01/1182086901.db2.gz DCDHELRSOLDEHN-JKSUJKDBSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001725751081 1182121089 /nfs/dbraw/zinc/12/10/89/1182121089.db2.gz VJSNQQQGNPHNJL-CYBMUJFWSA-N 2 0 269.433 1.635 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001731395133 1182357795 /nfs/dbraw/zinc/35/77/95/1182357795.db2.gz HXIWDDQLENUJHQ-HOTGVXAUSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001731435238 1182381923 /nfs/dbraw/zinc/38/19/23/1182381923.db2.gz MYXPLZQOGUMRLI-ILXRZTDVSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001731466803 1182400348 /nfs/dbraw/zinc/40/03/48/1182400348.db2.gz DUTLHBGEBPPRQC-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001731561096 1182449227 /nfs/dbraw/zinc/44/92/27/1182449227.db2.gz YRXWGYLYKBKHHU-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731670181 1182510699 /nfs/dbraw/zinc/51/06/99/1182510699.db2.gz DKRJVOJHKTYOFD-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001731703807 1182523249 /nfs/dbraw/zinc/52/32/49/1182523249.db2.gz QSYQQFBWHWVUFZ-GJZGRUSLSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001731737851 1182540617 /nfs/dbraw/zinc/54/06/17/1182540617.db2.gz CXXUFNUBSGLOIP-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001731840696 1182619487 /nfs/dbraw/zinc/61/94/87/1182619487.db2.gz GMHAYXKDAMHUIQ-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001732048819 1182738990 /nfs/dbraw/zinc/73/89/90/1182738990.db2.gz FOFQHQLZJZZBIC-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732465014 1182979077 /nfs/dbraw/zinc/97/90/77/1182979077.db2.gz UMMKHVGVUPUNIB-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732998566 1183230562 /nfs/dbraw/zinc/23/05/62/1183230562.db2.gz IWTZUQNNCOXFQX-KBPBESRZSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001733065430 1183273965 /nfs/dbraw/zinc/27/39/65/1183273965.db2.gz IILIIWQBQLRGMR-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001733082573 1183280089 /nfs/dbraw/zinc/28/00/89/1183280089.db2.gz FEYFQJJTFJGRRT-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001733329167 1183398369 /nfs/dbraw/zinc/39/83/69/1183398369.db2.gz SRKAWTXGWQEFEV-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001734064694 1183644372 /nfs/dbraw/zinc/64/43/72/1183644372.db2.gz DOTZNAHSRORWBX-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)CCCC[NH+](C)C)CCCCC1 ZINC001734091966 1183653665 /nfs/dbraw/zinc/65/36/65/1183653665.db2.gz QGLOIFXFKNGPFC-UHFFFAOYSA-N 2 0 293.455 1.760 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001734420255 1183772393 /nfs/dbraw/zinc/77/23/93/1183772393.db2.gz CXBHQJFIVXXVNO-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001734462823 1183786964 /nfs/dbraw/zinc/78/69/64/1183786964.db2.gz UYEUEJPTWSOXGO-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C[C@H]1CCC[N@H+](CCNC(=[NH2+])NC2CCCCC2)C1 ZINC000303888949 751378051 /nfs/dbraw/zinc/37/80/51/751378051.db2.gz LSUNBXUXOCWWEN-ZDUSSCGKSA-N 2 0 266.433 1.955 10 30 CDEERP C[NH+](C)Cc1cccc(CNC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852856804 751864923 /nfs/dbraw/zinc/86/49/23/751864923.db2.gz GEHCYPKGABYDJG-UHFFFAOYSA-N 2 0 299.418 1.367 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000876773748 752007910 /nfs/dbraw/zinc/00/79/10/752007910.db2.gz XAIVGXUSVJIOOK-STQMWFEESA-N 2 0 287.835 1.647 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000876723267 752228225 /nfs/dbraw/zinc/22/82/25/752228225.db2.gz QZKQIBWXAWCNCE-RTXFEEFZSA-N 2 0 287.835 1.693 10 30 CDEERP C[C@@H]([NH3+])c1ccc(CNC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852798677 749402620 /nfs/dbraw/zinc/40/26/20/749402620.db2.gz NOBNRLWZTBIKIJ-CYBMUJFWSA-N 2 0 285.391 1.326 10 30 CDEERP C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C)CC1 ZINC000878886069 749814078 /nfs/dbraw/zinc/81/40/78/749814078.db2.gz ZLDCIJHRJQVFCI-GOEBONIOSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000878326449 749992927 /nfs/dbraw/zinc/99/29/27/749992927.db2.gz ZJMRYIQNSIWVST-JYJNAYRXSA-N 2 0 265.445 1.909 10 30 CDEERP C#CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000878362749 750260650 /nfs/dbraw/zinc/26/06/50/750260650.db2.gz GTWVUJSOACCMJA-QGZVFWFLSA-N 2 0 299.418 1.551 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+]1CCCC[C@@H]1C ZINC000303906744 750888811 /nfs/dbraw/zinc/88/88/11/750888811.db2.gz WGJOIKZXPXMBCN-GJZGRUSLSA-N 3 0 295.475 1.249 10 30 CDEERP C=C(C)CNC(=[NH2+])NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000849048448 752877782 /nfs/dbraw/zinc/87/77/82/752877782.db2.gz HHZHWTXIKYJEPF-UPJWGTAASA-N 2 0 268.405 1.174 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000876925443 753028124 /nfs/dbraw/zinc/02/81/24/753028124.db2.gz GAOWFFBMSOWTNR-NWDGAFQWSA-N 2 0 279.771 1.373 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876958597 753274672 /nfs/dbraw/zinc/27/46/72/753274672.db2.gz IDLJLOBSLINPEG-WDEREUQCSA-N 2 0 273.808 1.445 10 30 CDEERP C=CC[C@H](CO)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925627814 753355983 /nfs/dbraw/zinc/35/59/83/753355983.db2.gz ABPLQIZDZAYANB-IMJJTQAJSA-N 2 0 266.429 1.929 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568412692 1167531127 /nfs/dbraw/zinc/53/11/27/1167531127.db2.gz VJQAFYUDPZBGDG-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCOCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001566634918 1168363397 /nfs/dbraw/zinc/36/33/97/1168363397.db2.gz MFPBFQNONUOWFG-HNNXBMFYSA-N 2 0 297.443 1.110 10 30 CDEERP C=CC[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001566929431 1168471567 /nfs/dbraw/zinc/47/15/67/1168471567.db2.gz ZZMPIAXPZXWBHR-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001567234175 1168633132 /nfs/dbraw/zinc/63/31/32/1168633132.db2.gz MUPCXVDBNVZIJU-CQSZACIVSA-N 2 0 297.443 1.158 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCCC=C)CC1 ZINC001567324650 1168679928 /nfs/dbraw/zinc/67/99/28/1168679928.db2.gz WRFUKWDZDLLRTJ-UHFFFAOYSA-N 2 0 291.439 1.346 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001567416468 1168743187 /nfs/dbraw/zinc/74/31/87/1168743187.db2.gz SHCFVMHJOIMASS-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001266440024 894907786 /nfs/dbraw/zinc/90/77/86/894907786.db2.gz CUVRXGCHIZDRIY-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001266787727 896052214 /nfs/dbraw/zinc/05/22/14/896052214.db2.gz MIWDMQQCHPDWHT-UHFFFAOYSA-N 2 0 289.423 1.638 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001267278821 897447745 /nfs/dbraw/zinc/44/77/45/897447745.db2.gz RFFNNZMXYUSEBG-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001481153889 898987415 /nfs/dbraw/zinc/98/74/15/898987415.db2.gz FKIHRBIYHMLLOW-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567687992 1168917000 /nfs/dbraw/zinc/91/70/00/1168917000.db2.gz CMRFONXNMZKDEO-HNNXBMFYSA-N 2 0 291.439 1.581 10 30 CDEERP C#CCC[NH+]1CCC(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001267947095 900022253 /nfs/dbraw/zinc/02/22/53/900022253.db2.gz IBGLPTVFXNXPNQ-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268003942 900256255 /nfs/dbraw/zinc/25/62/55/900256255.db2.gz BOKBSFYGWLIPBT-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH+]1CC[C@@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001567711674 1168929079 /nfs/dbraw/zinc/92/90/79/1168929079.db2.gz DVMRICJWIYFTDN-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001481485662 900888018 /nfs/dbraw/zinc/88/80/18/900888018.db2.gz JFLJLVYZSQAUIN-BZUAXINKSA-N 2 0 291.439 1.130 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567737272 1168941434 /nfs/dbraw/zinc/94/14/34/1168941434.db2.gz XKLODYGAJHAEOW-HNNXBMFYSA-N 2 0 291.439 1.132 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001268500582 902409512 /nfs/dbraw/zinc/40/95/12/902409512.db2.gz XJZWKLTUSZPKEH-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268670454 902925904 /nfs/dbraw/zinc/92/59/04/902925904.db2.gz APNYCMVZUOKMJM-ZIAGYGMSSA-N 2 0 269.433 1.633 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001269096940 903416142 /nfs/dbraw/zinc/41/61/42/903416142.db2.gz JLDWQLFLLHCIDF-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001269333405 903705538 /nfs/dbraw/zinc/70/55/38/903705538.db2.gz WOCYONBYACUHFP-INIZCTEOSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001269456216 903826381 /nfs/dbraw/zinc/82/63/81/903826381.db2.gz ZAUAELSQYWCEKS-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001269672753 904027296 /nfs/dbraw/zinc/02/72/96/904027296.db2.gz ZJJVGAJAFXTELJ-GDBMZVCRSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001269958682 904232610 /nfs/dbraw/zinc/23/26/10/904232610.db2.gz IGFBFMRAWQKJFF-HOCLYGCPSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001269963404 904238146 /nfs/dbraw/zinc/23/81/46/904238146.db2.gz ZDEUFDYLOGCAGH-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C[C@@H]1CCCN(C(=[NH2+])NCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000261980812 904655669 /nfs/dbraw/zinc/65/56/69/904655669.db2.gz HYZMHQOMWIBXHL-ZIAGYGMSSA-N 2 0 266.433 1.907 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001270516626 904692027 /nfs/dbraw/zinc/69/20/27/904692027.db2.gz GFBVKXFQBOKJMS-CJNGLKHVSA-N 2 0 299.434 1.727 10 30 CDEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001270696896 904956191 /nfs/dbraw/zinc/95/61/91/904956191.db2.gz CWHROHRJLHLABE-RDJZCZTQSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001270921167 905448265 /nfs/dbraw/zinc/44/82/65/905448265.db2.gz FXZPJRZHIAZQMG-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001271550150 906518163 /nfs/dbraw/zinc/51/81/63/906518163.db2.gz NEDIUQPIUNECDB-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001271750400 906771866 /nfs/dbraw/zinc/77/18/66/906771866.db2.gz JWKXNZLAXSIFAV-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001482546246 906993129 /nfs/dbraw/zinc/99/31/29/906993129.db2.gz AGGYYCVRXXUCFA-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482899490 908465411 /nfs/dbraw/zinc/46/54/11/908465411.db2.gz QICORTMCZZKVDI-RYUDHWBXSA-N 2 0 273.808 1.175 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001483597172 911309100 /nfs/dbraw/zinc/30/91/00/911309100.db2.gz WGOJAFOQDXTESE-INIZCTEOSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001568131319 1169143910 /nfs/dbraw/zinc/14/39/10/1169143910.db2.gz AFUJDTWAKIBOTA-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001485061402 916458889 /nfs/dbraw/zinc/45/88/89/916458889.db2.gz AEBKOZOEIRHTHK-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001485340975 916854982 /nfs/dbraw/zinc/85/49/82/916854982.db2.gz AJJHWCAHCXRIQQ-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001568206310 1169177833 /nfs/dbraw/zinc/17/78/33/1169177833.db2.gz UKXWIRJCQCCCIQ-STQMWFEESA-N 2 0 255.406 1.101 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCCC)CC1 ZINC001485387679 916936570 /nfs/dbraw/zinc/93/65/70/916936570.db2.gz HLGFTUGGGZNOGF-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+](C)C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001485766186 917266139 /nfs/dbraw/zinc/26/61/39/917266139.db2.gz BMCNGRSRWCUUQD-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001568277686 1169218417 /nfs/dbraw/zinc/21/84/17/1169218417.db2.gz CVXXOEXGXFZHCE-GFCCVEGCSA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001485892153 920551718 /nfs/dbraw/zinc/55/17/18/920551718.db2.gz MZHNDKANBLUVTD-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001486241018 920834574 /nfs/dbraw/zinc/83/45/74/920834574.db2.gz RRCHXSMGCJHNOF-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001486483302 921060733 /nfs/dbraw/zinc/06/07/33/921060733.db2.gz GXZUSCVRYXUCAA-UHFFFAOYSA-N 2 0 253.390 1.092 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568329246 1169247909 /nfs/dbraw/zinc/24/79/09/1169247909.db2.gz UXGFRQQKDFZRCK-QLFBSQMISA-N 2 0 281.444 1.633 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCC1 ZINC001273141076 922837378 /nfs/dbraw/zinc/83/73/78/922837378.db2.gz HKKOBYZNIHLMHM-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491047751 936846312 /nfs/dbraw/zinc/84/63/12/936846312.db2.gz KZIJZWCJXNANHA-KFWWJZLASA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001491069242 936850528 /nfs/dbraw/zinc/85/05/28/936850528.db2.gz GGGLWUMRZZNXDO-XUWVNRHRSA-N 2 0 293.455 1.920 10 30 CDEERP N#CCCN1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923413081 923818471 /nfs/dbraw/zinc/81/84/71/923818471.db2.gz CXSLKNORGQKWMN-MQVJKMGUSA-N 2 0 276.428 1.438 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001491508237 936926412 /nfs/dbraw/zinc/92/64/12/936926412.db2.gz QGZNJMLKUVDWTJ-ZIAGYGMSSA-N 2 0 290.411 1.506 10 30 CDEERP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001488664710 926642196 /nfs/dbraw/zinc/64/21/96/926642196.db2.gz VGIZJGQATYNRSB-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1CC ZINC001489117582 926801802 /nfs/dbraw/zinc/80/18/02/926801802.db2.gz SEIJGXKXPHTPPJ-HRCADAONSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001489239538 926851811 /nfs/dbraw/zinc/85/18/11/926851811.db2.gz GCBXGAAOKXGGNW-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001489331208 926874312 /nfs/dbraw/zinc/87/43/12/926874312.db2.gz PPFWTFJPYLWPGM-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001490213540 927013695 /nfs/dbraw/zinc/01/36/95/927013695.db2.gz KIPSYVSCDUBKNO-UHFFFAOYSA-N 2 0 291.439 1.324 10 30 CDEERP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001490597334 927249878 /nfs/dbraw/zinc/24/98/78/927249878.db2.gz PPZSTNMLVPTJGQ-CABCVRRESA-N 2 0 291.439 1.177 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275405525 931775305 /nfs/dbraw/zinc/77/53/05/931775305.db2.gz VMFYGSVHZOHXID-UONOGXRCSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275538848 931863549 /nfs/dbraw/zinc/86/35/49/931863549.db2.gz IDBUBOVIHZTWDK-ZIAGYGMSSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001275751143 931998614 /nfs/dbraw/zinc/99/86/14/931998614.db2.gz PTWSTWQVDNUNLU-UHFFFAOYSA-N 2 0 283.460 1.977 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001275815501 932059798 /nfs/dbraw/zinc/05/97/98/932059798.db2.gz HRESPADKFUVCTJ-CVEARBPZSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)C[N@@H+](C)CCC)CCCCC1 ZINC001276237694 932673581 /nfs/dbraw/zinc/67/35/81/932673581.db2.gz SKVKMCJELWMBDP-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CC ZINC001276752728 940979776 /nfs/dbraw/zinc/97/97/76/940979776.db2.gz UXJRSBAPJARPHQ-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001276866389 941660764 /nfs/dbraw/zinc/66/07/64/941660764.db2.gz CSZRXHUQQWYGBZ-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001277001115 941800908 /nfs/dbraw/zinc/80/09/08/941800908.db2.gz JITRJUZQFJLYTP-IHRRRGAJSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001277081831 941927508 /nfs/dbraw/zinc/92/75/08/941927508.db2.gz LXHIKSASHYMOIJ-ZOBUZTSGSA-N 2 0 291.439 1.533 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001280174894 942421753 /nfs/dbraw/zinc/42/17/53/942421753.db2.gz ZWNZCJYPQZSGAL-CYBMUJFWSA-N 2 0 287.835 1.519 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]CC=C)CC1 ZINC001277362428 942428535 /nfs/dbraw/zinc/42/85/35/942428535.db2.gz HDBQSPVUVUEPEK-HNNXBMFYSA-N 2 0 291.439 1.392 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001281497685 942586038 /nfs/dbraw/zinc/58/60/38/942586038.db2.gz KKKGMBKITHBGQC-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001282652957 942735212 /nfs/dbraw/zinc/73/52/12/942735212.db2.gz CQRWKKSUZGVGOO-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001283102269 942822754 /nfs/dbraw/zinc/82/27/54/942822754.db2.gz IUELYOGPKXLXBA-HDJSIYSDSA-N 2 0 265.401 1.143 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001283238033 942864548 /nfs/dbraw/zinc/86/45/48/942864548.db2.gz GBIWERWWANCGST-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001264651991 944159552 /nfs/dbraw/zinc/15/95/52/944159552.db2.gz PLZYATPNUJPDJE-CABCVRRESA-N 2 0 279.428 1.295 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001277969195 944267519 /nfs/dbraw/zinc/26/75/19/944267519.db2.gz PRFDNYNNYRNGNC-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265208029 944275685 /nfs/dbraw/zinc/27/56/85/944275685.db2.gz OSLWUASGRVISGE-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001265230568 944288556 /nfs/dbraw/zinc/28/85/56/944288556.db2.gz HYQPPPBMVYGRAC-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001265310697 944339501 /nfs/dbraw/zinc/33/95/01/944339501.db2.gz TWXQSUWSAQTFCD-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001265655910 944459695 /nfs/dbraw/zinc/45/96/95/944459695.db2.gz RQWIDGSWOSAQRI-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001265683512 944468541 /nfs/dbraw/zinc/46/85/41/944468541.db2.gz BBLGDLGRPOCXHA-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266009810 944627441 /nfs/dbraw/zinc/62/74/41/944627441.db2.gz ZGCTZGFOLMMSCF-AWEZNQCLSA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001266075480 944666579 /nfs/dbraw/zinc/66/65/79/944666579.db2.gz NWPGKAXINIYBDE-HOTGVXAUSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001480024617 971542363 /nfs/dbraw/zinc/54/23/63/971542363.db2.gz LWRUOYZMZZNGHZ-HOTGVXAUSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001480675904 971835183 /nfs/dbraw/zinc/83/51/83/971835183.db2.gz KAUFECQUCXZOFO-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001569151792 1169694762 /nfs/dbraw/zinc/69/47/62/1169694762.db2.gz OTEWPMHQZNGYDZ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCCC[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001328915230 955552094 /nfs/dbraw/zinc/55/20/94/955552094.db2.gz INBOEJORJRJPAD-QQFBHYJXSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[N@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001492423201 955876065 /nfs/dbraw/zinc/87/60/65/955876065.db2.gz NIOHUPWBIZCYIY-INIZCTEOSA-N 2 0 297.418 1.270 10 30 CDEERP CC#CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001330210244 956328485 /nfs/dbraw/zinc/32/84/85/956328485.db2.gz OJDZFNDRRKKCDG-CQSZACIVSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001494138595 972184121 /nfs/dbraw/zinc/18/41/21/972184121.db2.gz WSBJLKVYTCACFR-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001317000492 957195333 /nfs/dbraw/zinc/19/53/33/957195333.db2.gz GOZCMMXPBXETSV-LSDHHAIUSA-N 2 0 293.455 1.729 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317166347 957314894 /nfs/dbraw/zinc/31/48/94/957314894.db2.gz XRGZOMHBOGZZKY-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001317478630 957501549 /nfs/dbraw/zinc/50/15/49/957501549.db2.gz QZIZUUOSFSFPMO-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001318482806 958126397 /nfs/dbraw/zinc/12/63/97/958126397.db2.gz LVUOHRPVGPHRMH-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001319040328 958344387 /nfs/dbraw/zinc/34/43/87/958344387.db2.gz YFIPCLROTYSLLI-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319609453 958653096 /nfs/dbraw/zinc/65/30/96/958653096.db2.gz MSOYNGMLRVLHCW-OWCLPIDISA-N 2 0 293.455 1.470 10 30 CDEERP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001319644379 958672594 /nfs/dbraw/zinc/67/25/94/958672594.db2.gz ZCJNZLZYMHNAJA-GJZGRUSLSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001320152304 958973979 /nfs/dbraw/zinc/97/39/79/958973979.db2.gz KICOYGVMGQGVDE-HUUCEWRRSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001321112564 959596711 /nfs/dbraw/zinc/59/67/11/959596711.db2.gz SEMCNTFCMQVFJO-OKQSBHACSA-N 2 0 291.439 1.841 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001321303067 959707860 /nfs/dbraw/zinc/70/78/60/959707860.db2.gz HEERBWSJTSQXHJ-AATRIKPKSA-N 2 0 277.412 1.004 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001322442577 960221289 /nfs/dbraw/zinc/22/12/89/960221289.db2.gz MVGIIAZDTOHADK-LBPRGKRZSA-N 2 0 273.808 1.271 10 30 CDEERP C=CCCC[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001322512029 960245948 /nfs/dbraw/zinc/24/59/48/960245948.db2.gz PFUJLGBUEVXIQE-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001324100238 961166381 /nfs/dbraw/zinc/16/63/81/961166381.db2.gz WVRUFBKABIJVDT-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001439152353 963656378 /nfs/dbraw/zinc/65/63/78/963656378.db2.gz WXQWTDQXMOPFHA-AGIUHOORSA-N 2 0 287.835 1.564 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001441855883 964740456 /nfs/dbraw/zinc/74/04/56/964740456.db2.gz QBMQBFVZEWQLPG-VXGBXAGGSA-N 2 0 273.808 1.318 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001444854145 965974714 /nfs/dbraw/zinc/97/47/14/965974714.db2.gz CCKQZMIQBJBDQS-STQMWFEESA-N 2 0 287.835 1.564 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001495682768 972593638 /nfs/dbraw/zinc/59/36/38/972593638.db2.gz GMCOTIDSUJOUSC-HOCLYGCPSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001496845448 973121362 /nfs/dbraw/zinc/12/13/62/973121362.db2.gz RNJBVKNENKUZQX-OAHLLOKOSA-N 2 0 281.444 1.683 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001497219340 973249380 /nfs/dbraw/zinc/24/93/80/973249380.db2.gz FVDKKQFGCMEVMU-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498282612 973805569 /nfs/dbraw/zinc/80/55/69/973805569.db2.gz KJCJAVNBLKUNBA-ZFWWWQNUSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001498325630 973832448 /nfs/dbraw/zinc/83/24/48/973832448.db2.gz HZYJILZYMPYPNM-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001499461043 974257989 /nfs/dbraw/zinc/25/79/89/974257989.db2.gz BKKOSQPCMLUCPW-UHFFFAOYSA-N 2 0 285.391 1.233 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001501604656 974604385 /nfs/dbraw/zinc/60/43/85/974604385.db2.gz VZBYAFTYOSCQGM-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001502972648 974807697 /nfs/dbraw/zinc/80/76/97/974807697.db2.gz ZMRSLMYMNSZXJZ-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001507292907 975400909 /nfs/dbraw/zinc/40/09/09/975400909.db2.gz MSXWWMFVZQIABC-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001570022476 1170061084 /nfs/dbraw/zinc/06/10/84/1170061084.db2.gz VKLYKGASDSOSTD-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001570213706 1170112984 /nfs/dbraw/zinc/11/29/84/1170112984.db2.gz BQZNHPGORKJFDO-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001571352649 1170378767 /nfs/dbraw/zinc/37/87/67/1170378767.db2.gz VOFUASCAIYTMJI-HUUCEWRRSA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001571502353 1170456519 /nfs/dbraw/zinc/45/65/19/1170456519.db2.gz DAIFKKLGLABZBP-ZBFHGGJFSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001656997690 1171914142 /nfs/dbraw/zinc/91/41/42/1171914142.db2.gz GLTKRYRNKRQPAD-QLFBSQMISA-N 2 0 279.428 1.319 10 30 CDEERP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000651701918 398154410 /nfs/dbraw/zinc/15/44/10/398154410.db2.gz FMCJYWRVZQIQMV-XHSDSOJGSA-N 2 0 265.445 1.957 10 30 CDEERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438185 342905882 /nfs/dbraw/zinc/90/58/82/342905882.db2.gz RECYTKGXHSZRRN-HZSPNIEDSA-N 2 0 280.416 1.196 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000594439451 342906812 /nfs/dbraw/zinc/90/68/12/342906812.db2.gz QPSPVXYWIPGDII-CYBMUJFWSA-N 2 0 260.341 1.495 10 30 CDEERP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C[NH+]1CCCC1 ZINC000594441682 342907455 /nfs/dbraw/zinc/90/74/55/342907455.db2.gz URVRITFLLVAQAK-ZIAGYGMSSA-N 2 0 280.416 1.246 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000594443241 342908119 /nfs/dbraw/zinc/90/81/19/342908119.db2.gz BDBHPZAMWSTJLE-STQMWFEESA-N 2 0 266.389 1.128 10 30 CDEERP CC(C)(CCC[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594443209 342908169 /nfs/dbraw/zinc/90/81/69/342908169.db2.gz ARTKSNAAFLHMRK-LLVKDONJSA-N 2 0 254.378 1.031 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000594446391 342908778 /nfs/dbraw/zinc/90/87/78/342908778.db2.gz SGPXHEOJNQGKIQ-HNNXBMFYSA-N 2 0 294.443 1.780 10 30 CDEERP C=CCCC[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000076737998 342324667 /nfs/dbraw/zinc/32/46/67/342324667.db2.gz NJVHBXCHYKTUAU-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C[C@@H]1C[C@@H](N(C)Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1C ZINC000581943879 364053001 /nfs/dbraw/zinc/05/30/01/364053001.db2.gz DVAMDHRCKNBLOL-DOMZBBRYSA-N 2 0 298.394 1.515 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417543106 377930005 /nfs/dbraw/zinc/93/00/05/377930005.db2.gz UHSPJSLBUYWCPW-ZFWWWQNUSA-N 2 0 294.443 1.324 10 30 CDEERP C=CCCn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nn1 ZINC000655941417 412954026 /nfs/dbraw/zinc/95/40/26/412954026.db2.gz TUDGKKAWFJIBRI-HUUCEWRRSA-N 2 0 289.427 1.676 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001662993795 1172625186 /nfs/dbraw/zinc/62/51/86/1172625186.db2.gz CYQOZPMVVJNDDZ-CQSZACIVSA-N 2 0 281.444 1.777 10 30 CDEERP C[C@@H]1OCC[C@@]1(C)[NH2+]CC#CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000671243786 483198298 /nfs/dbraw/zinc/19/82/98/483198298.db2.gz YPTWHZWAOXZUFB-YHUYYLMFSA-N 2 0 280.412 1.304 10 30 CDEERP N#CCCOCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000339008841 391241308 /nfs/dbraw/zinc/24/13/08/391241308.db2.gz CUWSQZBEUMOCPU-UHFFFAOYSA-N 2 0 295.427 1.493 10 30 CDEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])C(C)C ZINC000417062913 391341800 /nfs/dbraw/zinc/34/18/00/391341800.db2.gz MTYZXCAPZMZITH-SOUVJXGZSA-N 2 0 296.459 1.720 10 30 CDEERP C#CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001663587556 1172729545 /nfs/dbraw/zinc/72/95/45/1172729545.db2.gz MYFMQHKUPDSEBO-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001663730433 1172753483 /nfs/dbraw/zinc/75/34/83/1172753483.db2.gz JNMUDXVMELOBNP-HNNXBMFYSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[C@]1(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662680155 413298313 /nfs/dbraw/zinc/29/83/13/413298313.db2.gz GLRYBMAETVXHGV-GOEBONIOSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[C@]1(C(=O)NCC[N@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662679656 413300235 /nfs/dbraw/zinc/30/02/35/413300235.db2.gz ATIZIHDANCNQBD-GDBMZVCRSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)CC1([NH3+])CC1)C(C)C ZINC000662681902 413304274 /nfs/dbraw/zinc/30/42/74/413304274.db2.gz NCZCMCXVLNEAOG-AWEZNQCLSA-N 2 0 279.428 1.683 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCC[NH2+]1 ZINC000662688287 413314547 /nfs/dbraw/zinc/31/45/47/413314547.db2.gz NTXMNZWAWOXYJQ-IJEWVQPXSA-N 2 0 277.412 1.428 10 30 CDEERP C=CC[C@]1(C(=O)NCC2CC[NH+](CCC)CC2)CCC[NH2+]1 ZINC000662694621 413327490 /nfs/dbraw/zinc/32/74/90/413327490.db2.gz YHDCDOZYJNMLRZ-QGZVFWFLSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@H]([NH+](C)C)C2)CCC[NH2+]1 ZINC000662713782 413368656 /nfs/dbraw/zinc/36/86/56/413368656.db2.gz YTRYVJIFAHWQPT-DZGCQCFKSA-N 2 0 265.401 1.237 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)CCC[NH2+]1 ZINC000662748544 413426733 /nfs/dbraw/zinc/42/67/33/413426733.db2.gz AVFTZSCGUMMSBQ-HOCLYGCPSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001665732236 1173047649 /nfs/dbraw/zinc/04/76/49/1173047649.db2.gz QZIMFIIDNZYXTP-HNNXBMFYSA-N 2 0 293.455 1.520 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001665732896 1173049038 /nfs/dbraw/zinc/04/90/38/1173049038.db2.gz ZMQKKUSCRSAOHM-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC[NH2+]1 ZINC000662873500 413636193 /nfs/dbraw/zinc/63/61/93/413636193.db2.gz YRHLVPQJMMOLTK-NQKGRLOXSA-N 2 0 277.412 1.426 10 30 CDEERP C=CC[C@H](CO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657435923 414333077 /nfs/dbraw/zinc/33/30/77/414333077.db2.gz QQEZIWCAJFNNOH-GFCCVEGCSA-N 2 0 258.325 1.294 10 30 CDEERP [NH3+]CC#Cc1ccsc1C[NH+]1CCSCC1 ZINC000043683576 175091688 /nfs/dbraw/zinc/09/16/88/175091688.db2.gz HAWXJSRDPPUPGW-UHFFFAOYSA-N 2 0 252.408 1.607 10 30 CDEERP C[N@@H+](Cc1sccc1C#CC[NH3+])C[C@@H]1CCCO1 ZINC000043683888 175092390 /nfs/dbraw/zinc/09/23/90/175092390.db2.gz NINBSFPDVRPAMZ-ZDUSSCGKSA-N 2 0 264.394 1.669 10 30 CDEERP C=C(C)CN(CC)C(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044513605 175188950 /nfs/dbraw/zinc/18/89/50/175188950.db2.gz GGRJUSRMJCOPKQ-UHFFFAOYSA-N 2 0 253.390 1.082 10 30 CDEERP CN[C@@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190777 176068611 /nfs/dbraw/zinc/06/86/11/176068611.db2.gz RFZZTTQRACUQQJ-LSDHHAIUSA-N 2 0 266.433 1.542 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001666642165 1173165025 /nfs/dbraw/zinc/16/50/25/1173165025.db2.gz UMWOEGXZEXCJPO-OAHLLOKOSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001667498276 1173277526 /nfs/dbraw/zinc/27/75/26/1173277526.db2.gz LOIVDJUTZINIAF-MRXNPFEDSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001671342129 1173677897 /nfs/dbraw/zinc/67/78/97/1173677897.db2.gz BIHVKHHELHSONE-CQSZACIVSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267016347 1159085227 /nfs/dbraw/zinc/08/52/27/1159085227.db2.gz QUWQIIDOWQGCHP-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267054914 1159101514 /nfs/dbraw/zinc/10/15/14/1159101514.db2.gz HLURDGCBMKEVOC-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001690826327 1175584099 /nfs/dbraw/zinc/58/40/99/1175584099.db2.gz DOSYUVXMIKFXOQ-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH+]1CCC(NC(NC2CCC2)=[NH+]CC)CC1 ZINC000262756798 330029622 /nfs/dbraw/zinc/02/96/22/330029622.db2.gz BSCDPFKTZCGABX-UHFFFAOYSA-N 2 0 264.417 1.744 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001482896151 1160641292 /nfs/dbraw/zinc/64/12/92/1160641292.db2.gz XYMIWYOWTKUXQV-ZFWWWQNUSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCCC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001712948508 1178261525 /nfs/dbraw/zinc/26/15/25/1178261525.db2.gz YWHUBMKYTWPSDE-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP CC[N@H+](CCOC)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609716 521133422 /nfs/dbraw/zinc/13/34/22/521133422.db2.gz HDVAFCJDIKSPPR-UHFFFAOYSA-N 2 0 276.380 1.344 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733994849 1183605683 /nfs/dbraw/zinc/60/56/83/1183605683.db2.gz JABZNGPNOLPMTF-QWHCGFSZSA-N 2 0 267.417 1.387 10 30 CDEERP [NH3+]CC#Cc1cc(C[NH+]2CCC(CO)CC2)ccc1F ZINC000049608317 527147270 /nfs/dbraw/zinc/14/72/70/527147270.db2.gz STWLHUQWYPUMGY-UHFFFAOYSA-N 2 0 276.355 1.340 10 30 CDEERP [NH3+]CC#Cc1cccc(C(=O)NCC[NH+]2CCCCC2)c1 ZINC000049575935 527151623 /nfs/dbraw/zinc/15/16/23/527151623.db2.gz GMSPBIGUCMWIOT-UHFFFAOYSA-N 2 0 285.391 1.213 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000764582739 575922712 /nfs/dbraw/zinc/92/27/12/575922712.db2.gz KBTOJXUXDYHLHG-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001689801769 1175262872 /nfs/dbraw/zinc/26/28/72/1175262872.db2.gz AUEITGGJCDSFEF-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001689978691 1175331462 /nfs/dbraw/zinc/33/14/62/1175331462.db2.gz CKDVULPZLVABJS-CQSZACIVSA-N 2 0 265.401 1.237 10 30 CDEERP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1C#N ZINC000925836751 617866182 /nfs/dbraw/zinc/86/61/82/617866182.db2.gz CLEJIFDKIUAVNJ-VBNZEHGJSA-N 2 0 273.380 1.709 10 30 CDEERP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850884 617886596 /nfs/dbraw/zinc/88/65/96/617886596.db2.gz COFPTRLILHAPRL-MJBXVCDLSA-N 2 0 280.412 1.862 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000877266308 618420125 /nfs/dbraw/zinc/42/01/25/618420125.db2.gz QKGVQUGBWSUDEZ-GRYCIOLGSA-N 2 0 271.792 1.057 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000900066256 622683618 /nfs/dbraw/zinc/68/36/18/622683618.db2.gz QUXVGFDZUOGBMH-UHFFFAOYSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000900523972 623156546 /nfs/dbraw/zinc/15/65/46/623156546.db2.gz WGDDWAQRTOGWEO-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000900880356 623601707 /nfs/dbraw/zinc/60/17/07/623601707.db2.gz IPUNZSHTQCINGO-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000900903226 623635257 /nfs/dbraw/zinc/63/52/57/623635257.db2.gz GRUYEXJHVGXLSU-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000908412573 628187448 /nfs/dbraw/zinc/18/74/48/628187448.db2.gz FPYPTZDVHIDANJ-QWHCGFSZSA-N 2 0 253.390 1.045 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCCCC[NH+]1CCCC1 ZINC000908427237 628193888 /nfs/dbraw/zinc/19/38/88/628193888.db2.gz MCCMWKUUYBLTNW-UHFFFAOYSA-N 2 0 281.444 1.877 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001772513971 1158529011 /nfs/dbraw/zinc/52/90/11/1158529011.db2.gz AKWLAQYVSZUXSO-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691230245 1158968758 /nfs/dbraw/zinc/96/87/58/1158968758.db2.gz XJPIQPBOQYAXIR-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001565870203 1168062315 /nfs/dbraw/zinc/06/23/15/1168062315.db2.gz MWHBCFABSLRNAZ-SHTZXODSSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001566714445 1168398406 /nfs/dbraw/zinc/39/84/06/1168398406.db2.gz LTSVFHKGUDTDPH-MRXNPFEDSA-N 2 0 298.390 1.927 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001671243179 1169248367 /nfs/dbraw/zinc/24/83/67/1169248367.db2.gz BGWWZLVQAKUHPT-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)CCC[NH+](C)C)CC1 ZINC001569704451 1169970556 /nfs/dbraw/zinc/97/05/56/1169970556.db2.gz OAMOUZBSSNDGPD-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001570216926 1170113390 /nfs/dbraw/zinc/11/33/90/1170113390.db2.gz QHRLQZNHYZHAQN-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001571488710 1170438188 /nfs/dbraw/zinc/43/81/88/1170438188.db2.gz GZNDVTSYJBYOGY-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001571493990 1170453706 /nfs/dbraw/zinc/45/37/06/1170453706.db2.gz YDBQHEPCGTWFLD-KBPBESRZSA-N 2 0 267.417 1.482 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001662349524 1172534347 /nfs/dbraw/zinc/53/43/47/1172534347.db2.gz DBYLMVZUUDHUHL-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001663634079 1172737965 /nfs/dbraw/zinc/73/79/65/1172737965.db2.gz NUMYMQYROSOADH-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001667198273 1173244540 /nfs/dbraw/zinc/24/45/40/1173244540.db2.gz OSGFNOWLXJPJJJ-CABCVRRESA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001669966885 1173637896 /nfs/dbraw/zinc/63/78/96/1173637896.db2.gz DXCTWTCUANVGHY-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001676079740 1174178980 /nfs/dbraw/zinc/17/89/80/1174178980.db2.gz XAWVWOVRIPLCFN-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001676754938 1174267632 /nfs/dbraw/zinc/26/76/32/1174267632.db2.gz HXRRDIMEOQGXPA-CABCVRRESA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCN1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001688699362 1175012667 /nfs/dbraw/zinc/01/26/67/1175012667.db2.gz AFCFIASICMXADS-JKSUJKDBSA-N 2 0 291.439 1.724 10 30 CDEERP C#CC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001698715175 1175901452 /nfs/dbraw/zinc/90/14/52/1175901452.db2.gz SMUQNQYTLJASOT-WKILWMFISA-N 2 0 291.439 1.513 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001698891967 1175979149 /nfs/dbraw/zinc/97/91/49/1175979149.db2.gz LXKKBIWTIGTBIQ-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001698902452 1175981346 /nfs/dbraw/zinc/98/13/46/1175981346.db2.gz UHRZJGHGMPAFEJ-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001698977676 1176003187 /nfs/dbraw/zinc/00/31/87/1176003187.db2.gz SEUCEEHJGWTSLR-CQSZACIVSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001699485082 1176440348 /nfs/dbraw/zinc/44/03/48/1176440348.db2.gz CDTABGPIIKUFNS-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001699650755 1176548008 /nfs/dbraw/zinc/54/80/08/1176548008.db2.gz CNXJJASSLKGUFO-AWEZNQCLSA-N 2 0 277.412 1.121 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001699718689 1176585632 /nfs/dbraw/zinc/58/56/32/1176585632.db2.gz UOGCKRQXETVPIR-AWEZNQCLSA-N 2 0 293.455 1.826 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001699740384 1176598428 /nfs/dbraw/zinc/59/84/28/1176598428.db2.gz QJULNMMCILWDID-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001699833767 1176648935 /nfs/dbraw/zinc/64/89/35/1176648935.db2.gz DGICBLDTROZGMB-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001699944360 1176691835 /nfs/dbraw/zinc/69/18/35/1176691835.db2.gz MECMWLQTJVVRLL-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001699969907 1176702141 /nfs/dbraw/zinc/70/21/41/1176702141.db2.gz QGQACAGWRLNHMH-GJZGRUSLSA-N 2 0 293.455 1.282 10 30 CDEERP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001700293053 1176835127 /nfs/dbraw/zinc/83/51/27/1176835127.db2.gz PCPMZZPDGGLIRA-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC2CC2)CC1 ZINC001700430082 1176925165 /nfs/dbraw/zinc/92/51/65/1176925165.db2.gz KHQAFOWUNJVQCH-KBPBESRZSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1ncc[nH]1 ZINC001700446842 1176932353 /nfs/dbraw/zinc/93/23/53/1176932353.db2.gz CCFPIRKSGZOXLI-UHFFFAOYSA-N 2 0 278.400 1.603 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001700631043 1177044355 /nfs/dbraw/zinc/04/43/55/1177044355.db2.gz BYMJATWPRBFNJP-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001700729412 1177097085 /nfs/dbraw/zinc/09/70/85/1177097085.db2.gz TWTPORXUIDDPRI-HNNXBMFYSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001700885478 1177178086 /nfs/dbraw/zinc/17/80/86/1177178086.db2.gz POWQNHNDXISFMJ-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001707091004 1177948660 /nfs/dbraw/zinc/94/86/60/1177948660.db2.gz NWOKBNMHUGFREQ-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001712947132 1178259552 /nfs/dbraw/zinc/25/95/52/1178259552.db2.gz NWMLTPUMSOPVDO-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001713062629 1178339653 /nfs/dbraw/zinc/33/96/53/1178339653.db2.gz GSYVFGZSGOYPOR-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001713541293 1178634428 /nfs/dbraw/zinc/63/44/28/1178634428.db2.gz KBJSBTOPGKGQHK-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001713694666 1178712348 /nfs/dbraw/zinc/71/23/48/1178712348.db2.gz RVAANOIPOMBOIY-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001713906241 1178835816 /nfs/dbraw/zinc/83/58/16/1178835816.db2.gz NZICCYOHKOQJET-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001714021142 1178931738 /nfs/dbraw/zinc/93/17/38/1178931738.db2.gz BXYCQVARGQPYKQ-OKILXGFUSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001714157345 1178994098 /nfs/dbraw/zinc/99/40/98/1178994098.db2.gz RXERXOREKWPBTL-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001714157344 1178994329 /nfs/dbraw/zinc/99/43/29/1178994329.db2.gz RXERXOREKWPBTL-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001714243353 1179043365 /nfs/dbraw/zinc/04/33/65/1179043365.db2.gz JDIRASVBTGHQEA-YNEHKIRRSA-N 2 0 276.384 1.574 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001714409457 1179128024 /nfs/dbraw/zinc/12/80/24/1179128024.db2.gz KIQMSJFYYDSCDL-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001714443429 1179142140 /nfs/dbraw/zinc/14/21/40/1179142140.db2.gz ZXBFPCMEQBCCJE-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001714509261 1179176841 /nfs/dbraw/zinc/17/68/41/1179176841.db2.gz FUUJLJKSNABSLU-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001714559868 1179216025 /nfs/dbraw/zinc/21/60/25/1179216025.db2.gz HSQFFUPSWFNULQ-UHFFFAOYSA-N 2 0 255.406 1.198 10 30 CDEERP C=CC[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001715126731 1179560417 /nfs/dbraw/zinc/56/04/17/1179560417.db2.gz GWLXEAWGCMQDRC-HOCLYGCPSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001715432678 1179667096 /nfs/dbraw/zinc/66/70/96/1179667096.db2.gz APYXCDVCQBLYAA-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001716377984 1180174174 /nfs/dbraw/zinc/17/41/74/1180174174.db2.gz DQPPUGURURKPTH-FKZIUMHTSA-N 2 0 279.428 1.697 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)Cc2c[nH]cn2)CC1 ZINC001716798380 1180418107 /nfs/dbraw/zinc/41/81/07/1180418107.db2.gz QVXSXNPCUADESY-UHFFFAOYSA-N 2 0 262.357 1.109 10 30 CDEERP C=CC[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001716849944 1180438663 /nfs/dbraw/zinc/43/86/63/1180438663.db2.gz HWKVEXPVORPLNW-HIFRSBDPSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001716889679 1180455299 /nfs/dbraw/zinc/45/52/99/1180455299.db2.gz SPLIPHFTKNDKGO-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001716896108 1180456826 /nfs/dbraw/zinc/45/68/26/1180456826.db2.gz QGISDYULMBTACZ-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001717121538 1180536717 /nfs/dbraw/zinc/53/67/17/1180536717.db2.gz DMYOONSVKFJBDT-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001717371257 1180632655 /nfs/dbraw/zinc/63/26/55/1180632655.db2.gz NCBBAJFCVFULAH-HOTGVXAUSA-N 2 0 293.455 1.663 10 30 CDEERP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001717624860 1180763540 /nfs/dbraw/zinc/76/35/40/1180763540.db2.gz UZHXBDDRKRQFRT-ARFHVFGLSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001717741458 1180820196 /nfs/dbraw/zinc/82/01/96/1180820196.db2.gz YFZZDQXGLKKHRN-OAHLLOKOSA-N 2 0 289.423 1.075 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001717758234 1180833194 /nfs/dbraw/zinc/83/31/94/1180833194.db2.gz WBOODEFXCWPKBO-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717822119 1180879998 /nfs/dbraw/zinc/87/99/98/1180879998.db2.gz NRWDHXZKIPJQPI-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@H]12 ZINC001717839933 1180888571 /nfs/dbraw/zinc/88/85/71/1180888571.db2.gz DVEWAYFEVXFZKW-HOCLYGCPSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001723193666 1181525928 /nfs/dbraw/zinc/52/59/28/1181525928.db2.gz ALQJOKOTLKDHKF-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001723482482 1181573612 /nfs/dbraw/zinc/57/36/12/1181573612.db2.gz CAEQBOZYQIUFCL-CYBMUJFWSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001724077848 1181633418 /nfs/dbraw/zinc/63/34/18/1181633418.db2.gz RNANDKOLBWHRQZ-JKSUJKDBSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001724727719 1181734320 /nfs/dbraw/zinc/73/43/20/1181734320.db2.gz PHAGGBCAHASZSM-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCCC)CC1 ZINC001725129917 1181876479 /nfs/dbraw/zinc/87/64/79/1181876479.db2.gz PNVDHYSUGHCXFU-LSDHHAIUSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001725148149 1181882053 /nfs/dbraw/zinc/88/20/53/1181882053.db2.gz PVNIAIASEUDGRG-AWEZNQCLSA-N 2 0 279.428 1.036 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001725568646 1182052493 /nfs/dbraw/zinc/05/24/93/1182052493.db2.gz RAINZDHDXYYJRF-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001725664038 1182090623 /nfs/dbraw/zinc/09/06/23/1182090623.db2.gz UGWJMCYQNMAOGJ-LSDHHAIUSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001725776024 1182128273 /nfs/dbraw/zinc/12/82/73/1182128273.db2.gz NURLWAPPPNIXHD-GOEBONIOSA-N 2 0 295.471 1.975 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001731433501 1182380109 /nfs/dbraw/zinc/38/01/09/1182380109.db2.gz DSQKUOQCHCPEFH-AWEZNQCLSA-N 2 0 296.374 1.470 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001731737849 1182541061 /nfs/dbraw/zinc/54/10/61/1182541061.db2.gz CXXUFNUBSGLOIP-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH+]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001731858338 1182630216 /nfs/dbraw/zinc/63/02/16/1182630216.db2.gz SEVXBMCTALFBAD-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001731866986 1182636880 /nfs/dbraw/zinc/63/68/80/1182636880.db2.gz OLQBMIRKNJHKDF-UHFFFAOYSA-N 2 0 298.390 1.718 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001732070086 1182752208 /nfs/dbraw/zinc/75/22/08/1182752208.db2.gz BCYKZZBWWXTCGB-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732198760 1182850905 /nfs/dbraw/zinc/85/09/05/1182850905.db2.gz LTJKJGDXTWOIHV-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001732251638 1182884698 /nfs/dbraw/zinc/88/46/98/1182884698.db2.gz QZWFVFAOOLSTMA-HNNXBMFYSA-N 2 0 277.412 1.143 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001732278781 1182893062 /nfs/dbraw/zinc/89/30/62/1182893062.db2.gz GFBPGFCZCMHVOQ-WBVHZDCISA-N 2 0 291.439 1.389 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732455028 1182974893 /nfs/dbraw/zinc/97/48/93/1182974893.db2.gz RIWLGRYNWJKASM-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001732752275 1183108722 /nfs/dbraw/zinc/10/87/22/1183108722.db2.gz BLADNDAOWGXMSE-CQSZACIVSA-N 2 0 267.417 1.533 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001732878849 1183169045 /nfs/dbraw/zinc/16/90/45/1183169045.db2.gz SMQARHCGUKBSTF-ARJAWSKDSA-N 2 0 297.362 1.329 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCC2CC2)CC1 ZINC001733028480 1183247598 /nfs/dbraw/zinc/24/75/98/1183247598.db2.gz ZWVTXYDAHPOCDD-AWEZNQCLSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001733343250 1183403625 /nfs/dbraw/zinc/40/36/25/1183403625.db2.gz CVQNBWDJRQONFL-HNNXBMFYSA-N 2 0 289.423 1.076 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001733557273 1183465637 /nfs/dbraw/zinc/46/56/37/1183465637.db2.gz POMFOWZLLSXQQB-GJZGRUSLSA-N 2 0 279.428 1.036 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001733759954 1183522708 /nfs/dbraw/zinc/52/27/08/1183522708.db2.gz IPGTXOWGJHXTOP-GJZGRUSLSA-N 2 0 299.434 1.823 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001733976125 1183596548 /nfs/dbraw/zinc/59/65/48/1183596548.db2.gz BTJCPRJUAOHZLC-UONOGXRCSA-N 2 0 293.455 1.755 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001734039621 1183629013 /nfs/dbraw/zinc/62/90/13/1183629013.db2.gz NSRMXGMWMOBMBN-LBPRGKRZSA-N 2 0 293.436 1.493 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001734066168 1183645897 /nfs/dbraw/zinc/64/58/97/1183645897.db2.gz SYWAIUHWOIYOQW-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001734350242 1183743093 /nfs/dbraw/zinc/74/30/93/1183743093.db2.gz GDXWNPQLJYKDRK-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001734593906 1183838429 /nfs/dbraw/zinc/83/84/29/1183838429.db2.gz AFFYVAPWXCVDDZ-UYSNPLJNSA-N 2 0 291.439 1.462 10 30 CDEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001734605446 1183842797 /nfs/dbraw/zinc/84/27/97/1183842797.db2.gz PWMNMADJQBYQNO-UHFFFAOYSA-N 2 0 281.444 1.872 10 30 CDEERP C[NH+](C)Cc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852859466 753847198 /nfs/dbraw/zinc/84/71/98/753847198.db2.gz UQMGKVXYNGEAKR-UHFFFAOYSA-N 2 0 285.391 1.690 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876753970 754480622 /nfs/dbraw/zinc/48/06/22/754480622.db2.gz AFBKAGQNGBDRKO-OLZOCXBDSA-N 2 0 265.401 1.126 10 30 CDEERP C#CC[NH+](C)CCCNC(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000854094118 754857752 /nfs/dbraw/zinc/85/77/52/754857752.db2.gz FCADHMLVFLRZTB-OAHLLOKOSA-N 2 0 294.443 1.067 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000876709228 754930026 /nfs/dbraw/zinc/93/00/26/754930026.db2.gz MLJQTBSGPMULLL-GFCCVEGCSA-N 2 0 273.808 1.257 10 30 CDEERP CC[N@@H+]1CC[C@H]([NH+](C)CCO[C@@H](C)C#N)[C@@H](C)C1 ZINC000801933294 755216883 /nfs/dbraw/zinc/21/68/83/755216883.db2.gz MZMVAZLLRREJSQ-IHRRRGAJSA-N 2 0 253.390 1.577 10 30 CDEERP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccc(C#N)cn2)CC1(C)C ZINC000927169385 756171119 /nfs/dbraw/zinc/17/11/19/756171119.db2.gz YRXGTMZJYWTQJE-AWEZNQCLSA-N 2 0 287.411 1.828 10 30 CDEERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000870989100 756178612 /nfs/dbraw/zinc/17/86/12/756178612.db2.gz FDXOJNMTPSJZSP-BBRMVZONSA-N 2 0 294.443 1.621 10 30 CDEERP CC[N@@H+]1CC[C@H](N(C)C(=O)C#CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000852869945 756225879 /nfs/dbraw/zinc/22/58/79/756225879.db2.gz HWNNHFIZTMIUDO-HOCLYGCPSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000876723461 756825471 /nfs/dbraw/zinc/82/54/71/756825471.db2.gz BAYDQUIGCJUSJG-ZDUSSCGKSA-N 2 0 287.835 1.837 10 30 CDEERP CC1(C)[C@H]([NH2+]CCNc2ccc(C#N)cn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925893710 757465553 /nfs/dbraw/zinc/46/55/53/757465553.db2.gz QIIGGPXGXSIQSJ-VNQPRFMTSA-N 2 0 299.422 1.731 10 30 CDEERP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925655841 757831088 /nfs/dbraw/zinc/83/10/88/757831088.db2.gz LYPVWGGCBZYQQZ-MQYQWHSLSA-N 2 0 250.386 1.827 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000876898778 757867034 /nfs/dbraw/zinc/86/70/34/757867034.db2.gz VRBKPDHZCXMPKT-NSHDSACASA-N 2 0 259.781 1.009 10 30 CDEERP C#CC[C@H](COC)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000858335399 758278792 /nfs/dbraw/zinc/27/87/92/758278792.db2.gz SWTSFCQGRWZPBB-OAHLLOKOSA-N 2 0 284.363 1.704 10 30 CDEERP N#Cc1ccc(NCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)nc1 ZINC000925894070 758758687 /nfs/dbraw/zinc/75/86/87/758758687.db2.gz UCJMDAQFAJJAPA-CHWSQXEVSA-N 2 0 271.368 1.225 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001649448311 1167249786 /nfs/dbraw/zinc/24/97/86/1167249786.db2.gz NFANISCIBLCPJI-MGPQQGTHSA-N 2 0 267.417 1.245 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001566604153 1167998437 /nfs/dbraw/zinc/99/84/37/1167998437.db2.gz PUQIQUKSVGTNDI-HUUCEWRRSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001567387383 1168054684 /nfs/dbraw/zinc/05/46/84/1168054684.db2.gz ZFFRGNIFGILLJI-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001565878751 1168065136 /nfs/dbraw/zinc/06/51/36/1168065136.db2.gz PDMFCTZTGSZRSS-RBSFLKMASA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001566103349 1168236992 /nfs/dbraw/zinc/23/69/92/1168236992.db2.gz GFJGXLXBSLIECQ-QLFBSQMISA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001566879181 1168455367 /nfs/dbraw/zinc/45/53/67/1168455367.db2.gz HEWRKYKLCDXEIS-JKSUJKDBSA-N 2 0 295.471 1.977 10 30 CDEERP C#CC[NH+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001266468470 894997122 /nfs/dbraw/zinc/99/71/22/894997122.db2.gz QUVSGSABDQHJHP-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266807329 896087411 /nfs/dbraw/zinc/08/74/11/896087411.db2.gz JCTOSYMLCYJODS-LSDHHAIUSA-N 2 0 281.444 1.587 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001266897514 896298597 /nfs/dbraw/zinc/29/85/97/896298597.db2.gz NOYJMWCJZPMXLH-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001267057232 896650325 /nfs/dbraw/zinc/65/03/25/896650325.db2.gz CWSTYWIRTUDZFY-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001267196131 897110658 /nfs/dbraw/zinc/11/06/58/897110658.db2.gz ASEBDZKARYZWGC-HOCLYGCPSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001267548514 898324866 /nfs/dbraw/zinc/32/48/66/898324866.db2.gz GXLUMMADZCNKME-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267681015 899266794 /nfs/dbraw/zinc/26/67/94/899266794.db2.gz FPMSMDZCDOQCAD-SQWLQELKSA-N 2 0 293.455 1.729 10 30 CDEERP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481453902 900722064 /nfs/dbraw/zinc/72/20/64/900722064.db2.gz PJVOZTLIUSRQID-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268087055 901167125 /nfs/dbraw/zinc/16/71/25/901167125.db2.gz OHUJVPYGXIQIQX-JKSUJKDBSA-N 2 0 293.455 1.709 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268110509 901313368 /nfs/dbraw/zinc/31/33/68/901313368.db2.gz GMRDBHOJFMQUTJ-CABCVRRESA-N 2 0 281.444 1.635 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001268290111 901754194 /nfs/dbraw/zinc/75/41/94/901754194.db2.gz XYBGFICUDMYOJG-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001481823778 902173003 /nfs/dbraw/zinc/17/30/03/902173003.db2.gz LKNLYPBMALYQLM-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001482148879 902766942 /nfs/dbraw/zinc/76/69/42/902766942.db2.gz OCYSLXAOPHTRPN-CQSZACIVSA-N 2 0 281.444 1.636 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001268746552 903072291 /nfs/dbraw/zinc/07/22/91/903072291.db2.gz LOHRRWJVDBTSPN-BBRMVZONSA-N 2 0 299.434 1.821 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001269443211 903812707 /nfs/dbraw/zinc/81/27/07/903812707.db2.gz SRPAKJFOMFVELE-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001270419918 904624858 /nfs/dbraw/zinc/62/48/58/904624858.db2.gz NGXSPQLOJKTEMU-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001270867443 905237335 /nfs/dbraw/zinc/23/73/35/905237335.db2.gz UBDVNURRKYYNKK-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001271560063 906517621 /nfs/dbraw/zinc/51/76/21/906517621.db2.gz GTYMNDFVYZQKDP-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001272985297 921303443 /nfs/dbraw/zinc/30/34/43/921303443.db2.gz NENNWBYECZEQGI-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567940876 1169084262 /nfs/dbraw/zinc/08/42/62/1169084262.db2.gz OARZITUTBREVPH-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001482848088 908425120 /nfs/dbraw/zinc/42/51/20/908425120.db2.gz LFVPWCGGNGXJBW-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001483128404 909685801 /nfs/dbraw/zinc/68/58/01/909685801.db2.gz BDTIEMUPNVULCF-HZSPNIEDSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001483410745 911079411 /nfs/dbraw/zinc/07/94/11/911079411.db2.gz WMUDOCLLENMTAY-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001483471909 911160497 /nfs/dbraw/zinc/16/04/97/911160497.db2.gz WKUUDJSARSVEJK-ZDUSSCGKSA-N 2 0 255.406 1.197 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001483601088 911306915 /nfs/dbraw/zinc/30/69/15/911306915.db2.gz MEOADIPCSXKXSJ-CYBMUJFWSA-N 2 0 297.830 1.319 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001483781284 915061294 /nfs/dbraw/zinc/06/12/94/915061294.db2.gz MZEDWDZFLHJYOE-UHFFFAOYSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001484513772 915837304 /nfs/dbraw/zinc/83/73/04/915837304.db2.gz UHIPJRDIXYAYTQ-ZIAGYGMSSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001484725038 916088940 /nfs/dbraw/zinc/08/89/40/916088940.db2.gz XFICUURHEPUQTM-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001484891477 916237351 /nfs/dbraw/zinc/23/73/51/916237351.db2.gz HIPUOPXUTKMKIO-CABCVRRESA-N 2 0 289.423 1.075 10 30 CDEERP C=CC[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485745667 917254506 /nfs/dbraw/zinc/25/45/06/917254506.db2.gz XLVCTZHPMLUMQK-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001272727125 917723665 /nfs/dbraw/zinc/72/36/65/917723665.db2.gz QRMRAFCHEQXVOF-KLHDSHLOSA-N 2 0 293.455 1.777 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001485820559 917938948 /nfs/dbraw/zinc/93/89/48/917938948.db2.gz QSLRRXCMQMIIIS-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001486138508 920747364 /nfs/dbraw/zinc/74/73/64/920747364.db2.gz YBOKHDRXNLJJPM-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490957732 936835400 /nfs/dbraw/zinc/83/54/00/936835400.db2.gz BCFNIZSQRDVXQB-JYJNAYRXSA-N 2 0 291.439 1.367 10 30 CDEERP C#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001490983724 936837178 /nfs/dbraw/zinc/83/71/78/936837178.db2.gz PGAYAAYIXOIAKM-HOTGVXAUSA-N 2 0 291.439 1.273 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001568367173 1169261656 /nfs/dbraw/zinc/26/16/56/1169261656.db2.gz FNWQSLASNJTZAQ-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001491271595 936888561 /nfs/dbraw/zinc/88/85/61/936888561.db2.gz PALGPVWYVUABIH-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCC1 ZINC001273202170 924589987 /nfs/dbraw/zinc/58/99/87/924589987.db2.gz QXTAAHRLTWNATA-HUUCEWRRSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001489132739 926804945 /nfs/dbraw/zinc/80/49/45/926804945.db2.gz MFLPMOQWBRIAAI-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001490597335 927251115 /nfs/dbraw/zinc/25/11/15/927251115.db2.gz PPZSTNMLVPTJGQ-GJZGRUSLSA-N 2 0 291.439 1.177 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490729810 927336995 /nfs/dbraw/zinc/33/69/95/927336995.db2.gz XUWYXPCQUJLWRP-OCCSQVGLSA-N 2 0 299.846 1.565 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001568470854 1169302965 /nfs/dbraw/zinc/30/29/65/1169302965.db2.gz XGLOSRRKBPVYJI-HOTGVXAUSA-N 2 0 293.455 1.470 10 30 CDEERP C=C(C)COCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693773956 937251573 /nfs/dbraw/zinc/25/15/73/937251573.db2.gz OLTKVCRYAOCJNA-HZSPNIEDSA-N 2 0 252.402 1.945 10 30 CDEERP C#CC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]21 ZINC001568516608 1169343728 /nfs/dbraw/zinc/34/37/28/1169343728.db2.gz ZOUOITDZJIQANF-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)C[N@@H+](C)CCC)CCOCC1 ZINC001274014443 931112640 /nfs/dbraw/zinc/11/26/40/931112640.db2.gz VDZFMKRLFIVMPT-UHFFFAOYSA-N 2 0 297.443 1.159 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001274288514 931488421 /nfs/dbraw/zinc/48/84/21/931488421.db2.gz JJSMVBLBKRQPSR-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001275623749 931912215 /nfs/dbraw/zinc/91/22/15/931912215.db2.gz DYFQPZNRGZIQDI-UYSNPLJNSA-N 2 0 293.455 1.565 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001275656631 931934422 /nfs/dbraw/zinc/93/44/22/931934422.db2.gz IDAZIRMHVKYWOC-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)CCC ZINC001275804095 932051069 /nfs/dbraw/zinc/05/10/69/932051069.db2.gz DRYYWZCWQCGQJB-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C[NH+](CC)C1CC1 ZINC001568551842 1169362863 /nfs/dbraw/zinc/36/28/63/1169362863.db2.gz VQQSNTJEFDKUBI-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=CCOCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001275904186 932122291 /nfs/dbraw/zinc/12/22/91/932122291.db2.gz CZZUSABEPPITMI-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001568751094 1169462253 /nfs/dbraw/zinc/46/22/53/1169462253.db2.gz HUCQHUMZLCBSQJ-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001276841076 941636184 /nfs/dbraw/zinc/63/61/84/941636184.db2.gz URSQYMKHZULILF-XHSDSOJGSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001277125174 941998009 /nfs/dbraw/zinc/99/80/09/941998009.db2.gz JUCGPVIYPQPPJI-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001281476616 942582395 /nfs/dbraw/zinc/58/23/95/942582395.db2.gz WGENHTOQRCBNJX-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001281526678 942588504 /nfs/dbraw/zinc/58/85/04/942588504.db2.gz GBAVNYSNKQHYCI-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001282014674 942644541 /nfs/dbraw/zinc/64/45/41/942644541.db2.gz FHRZFELJOATGGY-UYSNPLJNSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001282338050 942691642 /nfs/dbraw/zinc/69/16/42/942691642.db2.gz VFDYWNBSCXIFBJ-CQSZACIVSA-N 2 0 279.428 1.036 10 30 CDEERP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001282484355 942722600 /nfs/dbraw/zinc/72/26/00/942722600.db2.gz CHHBOCHGIBZYEJ-UONOGXRCSA-N 2 0 267.417 1.032 10 30 CDEERP CC#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001284067107 943067488 /nfs/dbraw/zinc/06/74/88/943067488.db2.gz KOGBTEJFLMIDRA-UXLLHSPISA-N 2 0 291.439 1.463 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001284292984 943140528 /nfs/dbraw/zinc/14/05/28/943140528.db2.gz LNNFRHDBADEIMO-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C ZINC001284625991 943227504 /nfs/dbraw/zinc/22/75/04/943227504.db2.gz VJCCPPPLHZLNPW-GJZGRUSLSA-N 2 0 295.471 1.861 10 30 CDEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001277709701 943376116 /nfs/dbraw/zinc/37/61/16/943376116.db2.gz MYUFZSDVFTVLHL-INIZCTEOSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001263878495 944018290 /nfs/dbraw/zinc/01/82/90/944018290.db2.gz ZWZWRVLPXBJXSO-RBSFLKMASA-N 2 0 279.428 1.389 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001264175704 944093020 /nfs/dbraw/zinc/09/30/20/944093020.db2.gz VGFRZKCTFPFBAW-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001264363500 944111845 /nfs/dbraw/zinc/11/18/45/944111845.db2.gz JSRCKGCUAOBLJZ-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001264428111 944133965 /nfs/dbraw/zinc/13/39/65/944133965.db2.gz LDBWXKJCDDZOHK-SHTZXODSSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264476443 944141100 /nfs/dbraw/zinc/14/11/00/944141100.db2.gz UCKKBLBNCTVTNA-UONOGXRCSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001264703947 944167305 /nfs/dbraw/zinc/16/73/05/944167305.db2.gz KOJWKUSDYZYUBU-ILXRZTDVSA-N 2 0 297.418 1.269 10 30 CDEERP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001265654386 944459084 /nfs/dbraw/zinc/45/90/84/944459084.db2.gz TUMFEILDWAACCK-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001265683513 944467957 /nfs/dbraw/zinc/46/79/57/944467957.db2.gz BBLGDLGRPOCXHA-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001265775889 944503343 /nfs/dbraw/zinc/50/33/43/944503343.db2.gz ZVBVXCAGSWTUNW-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001265833116 944531244 /nfs/dbraw/zinc/53/12/44/944531244.db2.gz XQIMHCVBNLQESJ-GJZGRUSLSA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001265952592 944595133 /nfs/dbraw/zinc/59/51/33/944595133.db2.gz QTRWACCGXHQSSA-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266029405 944642037 /nfs/dbraw/zinc/64/20/37/944642037.db2.gz PRVSSNNKQCURPX-LSDHHAIUSA-N 2 0 279.428 1.034 10 30 CDEERP C#CCC[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001266156924 944720208 /nfs/dbraw/zinc/72/02/08/944720208.db2.gz QQIDCNDEXYAIFW-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001279315308 944793710 /nfs/dbraw/zinc/79/37/10/944793710.db2.gz GUFLBRUGCWJHLE-WXRRBKDZSA-N 2 0 253.390 1.092 10 30 CDEERP C#CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001479527046 971337710 /nfs/dbraw/zinc/33/77/10/971337710.db2.gz YPGOCUBDVIJRIG-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001479695598 971370120 /nfs/dbraw/zinc/37/01/20/971370120.db2.gz YKTOORLAEOFLDD-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001324648084 953495961 /nfs/dbraw/zinc/49/59/61/953495961.db2.gz SJWHXBHZSOGBHB-ZBFHGGJFSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001569170984 1169701225 /nfs/dbraw/zinc/70/12/25/1169701225.db2.gz WHFIUCOATMKELW-CABCVRRESA-N 2 0 291.439 1.533 10 30 CDEERP C=C(C)C[N@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001493290998 972010059 /nfs/dbraw/zinc/01/00/59/972010059.db2.gz MMVGPYGDPJXMHZ-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001326873651 954596051 /nfs/dbraw/zinc/59/60/51/954596051.db2.gz DAMMQWRVHUUVTF-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001327226198 954781289 /nfs/dbraw/zinc/78/12/89/954781289.db2.gz XSVMFPBTBPERFA-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001491960601 955545315 /nfs/dbraw/zinc/54/53/15/955545315.db2.gz WKYYSIWHGLDHDA-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001491964674 955549588 /nfs/dbraw/zinc/54/95/88/955549588.db2.gz AEJGJOKUIXPYLB-OAHLLOKOSA-N 2 0 279.428 1.273 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001493749919 972109826 /nfs/dbraw/zinc/10/98/26/972109826.db2.gz FGNZHKYNCZOIRY-UHFFFAOYSA-N 2 0 297.443 1.111 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001492044281 955593818 /nfs/dbraw/zinc/59/38/18/955593818.db2.gz TZMCHJYGXDHLST-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001421993004 955690381 /nfs/dbraw/zinc/69/03/81/955690381.db2.gz NDNCAQUXZKZYEE-STQMWFEESA-N 2 0 287.835 1.517 10 30 CDEERP N#C[C@@H]1CC[C@H]([NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001422429527 955996957 /nfs/dbraw/zinc/99/69/57/955996957.db2.gz ARDBIVUIPOBISF-CVEARBPZSA-N 2 0 291.439 1.991 10 30 CDEERP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317377467 956237450 /nfs/dbraw/zinc/23/74/50/956237450.db2.gz CNQHLLBQTMNTDK-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001316853421 956312620 /nfs/dbraw/zinc/31/26/20/956312620.db2.gz FIQCDWQSSAJQFY-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001317284069 957402861 /nfs/dbraw/zinc/40/28/61/957402861.db2.gz QQSSQCAKFKCHLC-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001317295185 957408907 /nfs/dbraw/zinc/40/89/07/957408907.db2.gz VEQNIPQNXJSDPY-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001569268831 1169742889 /nfs/dbraw/zinc/74/28/89/1169742889.db2.gz KKPOIWZDURBJNQ-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001317346582 957432000 /nfs/dbraw/zinc/43/20/00/957432000.db2.gz XFNZCIQCVZSSOX-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001317635817 957614651 /nfs/dbraw/zinc/61/46/51/957614651.db2.gz HDTKUHOUXKSFMJ-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001317683627 957638150 /nfs/dbraw/zinc/63/81/50/957638150.db2.gz VAOVPTXHJYLPLF-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001318155163 957948849 /nfs/dbraw/zinc/94/88/49/957948849.db2.gz PHHTWXGEVNKLQX-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCC1CC[NH+](C)CC1 ZINC001333091725 958065700 /nfs/dbraw/zinc/06/57/00/958065700.db2.gz UOJJWOZBEAMBRS-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[NH2+]C[C@](C)(NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001318714746 958244239 /nfs/dbraw/zinc/24/42/39/958244239.db2.gz SADUOXYWIQRIRH-YOEHRIQHSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001320150128 958970745 /nfs/dbraw/zinc/97/07/45/958970745.db2.gz ZAMOWSZFYLQQLP-GDBMZVCRSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001320643643 959288405 /nfs/dbraw/zinc/28/84/05/959288405.db2.gz HLNJCFPOHIDENK-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001320862732 959427931 /nfs/dbraw/zinc/42/79/31/959427931.db2.gz LIIQAVKSMRQDEL-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001321083390 959582714 /nfs/dbraw/zinc/58/27/14/959582714.db2.gz IWLKYDIIWPINFV-LQYUOIDQSA-N 2 0 277.412 1.146 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001321112565 959596990 /nfs/dbraw/zinc/59/69/90/959596990.db2.gz SEMCNTFCMQVFJO-QDNWOOLPSA-N 2 0 291.439 1.841 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001322581066 960265827 /nfs/dbraw/zinc/26/58/27/960265827.db2.gz NHPWUOMMUCFMRK-UHFFFAOYSA-N 2 0 286.379 1.880 10 30 CDEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001323107305 960459811 /nfs/dbraw/zinc/45/98/11/960459811.db2.gz ADMOGTDHWGLJQR-LSDHHAIUSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001324066123 961151007 /nfs/dbraw/zinc/15/10/07/961151007.db2.gz BXVVUAJLPOIJLL-LSDHHAIUSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(Cl)C[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001440226327 963949839 /nfs/dbraw/zinc/94/98/39/963949839.db2.gz BECOCNRVAQYDSX-UHFFFAOYSA-N 2 0 299.846 1.615 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001558875812 965368424 /nfs/dbraw/zinc/36/84/24/965368424.db2.gz PFJMEMSSYFSCPD-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001350585814 966700885 /nfs/dbraw/zinc/70/08/85/966700885.db2.gz PTYKXGOJHLJVIZ-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001448773487 967249977 /nfs/dbraw/zinc/24/99/77/967249977.db2.gz OUHFXBDDVQQDIL-QWHCGFSZSA-N 2 0 287.835 1.517 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001355611726 969226701 /nfs/dbraw/zinc/22/67/01/969226701.db2.gz HQYXNBSLKYRVPD-TZMCWYRMSA-N 2 0 251.374 1.025 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC001356455106 969402482 /nfs/dbraw/zinc/40/24/82/969402482.db2.gz ZJCCPWOMVKILEI-ZFWWWQNUSA-N 2 0 265.401 1.191 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001495796352 972638096 /nfs/dbraw/zinc/63/80/96/972638096.db2.gz LPYGZBCTVMCDAY-HOCLYGCPSA-N 2 0 279.428 1.390 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001497927477 973578277 /nfs/dbraw/zinc/57/82/77/973578277.db2.gz VSHPQPLIPCHOBL-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001498424305 973899752 /nfs/dbraw/zinc/89/97/52/973899752.db2.gz DRKBCZVPBGMFGI-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001498491753 973947727 /nfs/dbraw/zinc/94/77/27/973947727.db2.gz RMKSYYAXSVNODD-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001499261926 974223886 /nfs/dbraw/zinc/22/38/86/974223886.db2.gz RIWPEYXWKOGOIY-GJZGRUSLSA-N 2 0 291.439 1.818 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001499935782 974340357 /nfs/dbraw/zinc/34/03/57/974340357.db2.gz MTQQWECTAGOMRT-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001499955020 974342700 /nfs/dbraw/zinc/34/27/00/974342700.db2.gz LWIIHBTYAXGFDQ-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001502546779 974749746 /nfs/dbraw/zinc/74/97/46/974749746.db2.gz XTCFWIRPOFQLIH-KRWDZBQOSA-N 2 0 291.439 1.276 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001502797125 974785624 /nfs/dbraw/zinc/78/56/24/974785624.db2.gz FQKMIUOTZYGMEA-AWEZNQCLSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001506065017 975104838 /nfs/dbraw/zinc/10/48/38/975104838.db2.gz HFKLZPAIEWOLKY-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001508153986 975622726 /nfs/dbraw/zinc/62/27/26/975622726.db2.gz DCHWKWTVNFUBPZ-UYSNPLJNSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001492879799 976388217 /nfs/dbraw/zinc/38/82/17/976388217.db2.gz WXPMTEUPWFTCFR-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001569821829 1170006144 /nfs/dbraw/zinc/00/61/44/1170006144.db2.gz SXENSCDFGOTAIW-GJZGRUSLSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001391962288 977164550 /nfs/dbraw/zinc/16/45/50/977164550.db2.gz NGMKDQINODYFIH-NSHDSACASA-N 2 0 273.808 1.177 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC1(C)C ZINC001677033432 1174307049 /nfs/dbraw/zinc/30/70/49/1174307049.db2.gz ZIYDRKMISGCIFB-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001570825013 1170288904 /nfs/dbraw/zinc/28/89/04/1170288904.db2.gz KCFBWSXDALXZLY-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)CC1(C)C ZINC001571558349 1170477034 /nfs/dbraw/zinc/47/70/34/1170477034.db2.gz ICDRTDHYTCBPIR-KGLIPLIRSA-N 2 0 299.434 1.679 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001656157460 1171779719 /nfs/dbraw/zinc/77/97/19/1171779719.db2.gz SFRQFOZRCNZUMF-FZNQNYSPSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000651701917 398154547 /nfs/dbraw/zinc/15/45/47/398154547.db2.gz FMCJYWRVZQIQMV-OAGGEKHMSA-N 2 0 265.445 1.957 10 30 CDEERP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CC[C@H](C#N)C1)CCO2 ZINC000592184282 342679714 /nfs/dbraw/zinc/67/97/14/342679714.db2.gz IHTAEDMDVSEGLJ-KBPBESRZSA-N 2 0 263.385 1.475 10 30 CDEERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594437664 342905771 /nfs/dbraw/zinc/90/57/71/342905771.db2.gz XAPTWPLTPJIUTI-UKRRQHHQSA-N 2 0 294.443 1.586 10 30 CDEERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594440653 342906914 /nfs/dbraw/zinc/90/69/14/342906914.db2.gz HJQAUYWMZOKEMJ-ZIAGYGMSSA-N 2 0 280.416 1.198 10 30 CDEERP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000594440626 342907099 /nfs/dbraw/zinc/90/70/99/342907099.db2.gz HDCDBZRBCAREJJ-QLFBSQMISA-N 2 0 294.443 1.634 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000594440743 342907429 /nfs/dbraw/zinc/90/74/29/342907429.db2.gz INVYCFINDSSNIH-IHRRRGAJSA-N 2 0 278.400 1.141 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000594443625 342908027 /nfs/dbraw/zinc/90/80/27/342908027.db2.gz GDUXMGOHELVYGD-GJZGRUSLSA-N 2 0 292.427 1.246 10 30 CDEERP N#CC1(C[C@H](O)C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000600718526 342244507 /nfs/dbraw/zinc/24/45/07/342244507.db2.gz YGTXEMKIMBYZMR-HNNXBMFYSA-N 2 0 277.412 1.505 10 30 CDEERP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600719901 342244687 /nfs/dbraw/zinc/24/46/87/342244687.db2.gz FLUAYAORAJXLNA-HUUCEWRRSA-N 2 0 279.428 1.751 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCC[NH2+]1 ZINC000634765509 358498897 /nfs/dbraw/zinc/49/88/97/358498897.db2.gz VAXXRDWUCCDWPJ-BBRMVZONSA-N 2 0 279.428 1.579 10 30 CDEERP C=C(Cl)C[N@@H+](C)CC1CC[NH+](CC(=O)NC)CC1 ZINC000071915957 356114188 /nfs/dbraw/zinc/11/41/88/356114188.db2.gz HQBUFYZFXNPIFP-UHFFFAOYSA-N 2 0 273.808 1.129 10 30 CDEERP C[NH+]=C(NCC[NH+]1CCCC1)N[C@@H](C)c1ccc(C)o1 ZINC000072285637 356738878 /nfs/dbraw/zinc/73/88/78/356738878.db2.gz CLLARWAXDBMFSQ-ZDUSSCGKSA-N 2 0 278.400 1.910 10 30 CDEERP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001661276122 1172362742 /nfs/dbraw/zinc/36/27/42/1172362742.db2.gz SYAODKSORNATAO-IYBDPMFKSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[C@@]1(C(=O)NCc2cccc3c2CC[NH2+]C3)CCC[NH2+]1 ZINC000638847703 375083836 /nfs/dbraw/zinc/08/38/36/375083836.db2.gz VZNZGUKUOVYMSY-SFHVURJKSA-N 2 0 299.418 1.647 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001662711858 1172585285 /nfs/dbraw/zinc/58/52/85/1172585285.db2.gz MRQXCOJCOMBXLK-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001662791078 1172595223 /nfs/dbraw/zinc/59/52/23/1172595223.db2.gz NNECISDLLZAYOB-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)C(C)C)C1 ZINC001664685827 1172886030 /nfs/dbraw/zinc/88/60/30/1172886030.db2.gz FEZYDPPPDQISEO-INIZCTEOSA-N 2 0 293.455 1.663 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663506839 414309557 /nfs/dbraw/zinc/30/95/57/414309557.db2.gz VLABNDJOGPLWMQ-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP COCC[NH+](CCOC)Cc1sccc1C#CC[NH3+] ZINC000043684000 175092277 /nfs/dbraw/zinc/09/22/77/175092277.db2.gz LBXMFBPFNJMTFW-UHFFFAOYSA-N 2 0 282.409 1.153 10 30 CDEERP [NH3+]CC#Cc1ccsc1C[N@@H+]1CCCC[C@@H]1CO ZINC000043683954 175092331 /nfs/dbraw/zinc/09/23/31/175092331.db2.gz NJTVGBYPPGYWNK-CYBMUJFWSA-N 2 0 264.394 1.405 10 30 CDEERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000130832278 264369382 /nfs/dbraw/zinc/36/93/82/264369382.db2.gz LDJSYQZKVXYLPV-GFCCVEGCSA-N 2 0 254.422 1.810 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001669910992 1173629344 /nfs/dbraw/zinc/62/93/44/1173629344.db2.gz SEPLOMQIBJPEPS-CQSZACIVSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCC)CC1 ZINC001671465458 1173683426 /nfs/dbraw/zinc/68/34/26/1173683426.db2.gz VMKARUIDXMYJED-INIZCTEOSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)Cn2ccnc2)CC1 ZINC001674001966 1173904333 /nfs/dbraw/zinc/90/43/33/1173904333.db2.gz PSKYSOZKHFAECY-UHFFFAOYSA-N 2 0 262.357 1.040 10 30 CDEERP C[C@H]1CN(C(=[NH2+])NCC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000262431027 330010212 /nfs/dbraw/zinc/01/02/12/330010212.db2.gz DZSOJZUSJKMJQJ-ZDUSSCGKSA-N 2 0 282.432 1.144 10 30 CDEERP C[C@@H]1CCC[C@](CNC(=[NH2+])N2CCO[C@@H](C)C2)([NH+](C)C)C1 ZINC000262474002 330015906 /nfs/dbraw/zinc/01/59/06/330015906.db2.gz PMWCUDJWCRQKSJ-YCPHGPKFSA-N 2 0 296.459 1.532 10 30 CDEERP CC[NH+]=C(NC1CCC1)N[C@H]1CCN(C2CC2)C1 ZINC000262823549 330034222 /nfs/dbraw/zinc/03/42/22/330034222.db2.gz YXRLXXNKCRFGQR-LBPRGKRZSA-N 2 0 250.390 1.331 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC12CCOCC2 ZINC000262852471 330035341 /nfs/dbraw/zinc/03/53/41/330035341.db2.gz XETGDPHGDDHXPA-UONOGXRCSA-N 2 0 294.443 1.192 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)C[NH+]1CCCC1 ZINC001698625623 1175877570 /nfs/dbraw/zinc/87/75/70/1175877570.db2.gz ZEOVOIFCQWKDJQ-CYBMUJFWSA-N 2 0 253.390 1.143 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267999124 1159643281 /nfs/dbraw/zinc/64/32/81/1159643281.db2.gz CBPOQKVBOWNIRK-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001269602085 1160065531 /nfs/dbraw/zinc/06/55/31/1160065531.db2.gz SFVSTBPPQIMZBO-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691549453 1160697446 /nfs/dbraw/zinc/69/74/46/1160697446.db2.gz VXQQQQZRRSTQFC-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001733130502 1161533220 /nfs/dbraw/zinc/53/32/20/1161533220.db2.gz FEKYNDSOEDPYRC-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP CC(C)[NH+]1CCN(Cc2ccc(C#CC[NH3+])cc2)CC1 ZINC000049609278 519682112 /nfs/dbraw/zinc/68/21/12/519682112.db2.gz BNYWPTITGVKMIJ-UHFFFAOYSA-N 2 0 271.408 1.523 10 30 CDEERP C[N@H+](CCOc1cccc(C#CC[NH3+])c1)[C@H]1CCSC1 ZINC000049609004 522910423 /nfs/dbraw/zinc/91/04/23/522910423.db2.gz GDYHVQHIQMAXNQ-HNNXBMFYSA-N 2 0 290.432 1.813 10 30 CDEERP N#Cc1cc(C[NH+]2CCC(C[NH2+]C3CC3)CC2)ccn1 ZINC000068760774 526548838 /nfs/dbraw/zinc/54/88/38/526548838.db2.gz AFOGFCHIEQKQAV-UHFFFAOYSA-N 2 0 270.380 1.917 10 30 CDEERP C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923363221 618323967 /nfs/dbraw/zinc/32/39/67/618323967.db2.gz AMKLQQQZIZGRFV-ILXRZTDVSA-N 2 0 252.402 1.778 10 30 CDEERP C#C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C1CCOCC1 ZINC000895434578 619660511 /nfs/dbraw/zinc/66/05/11/619660511.db2.gz BRCGRNFJKZLCEV-OAHLLOKOSA-N 2 0 250.386 1.346 10 30 CDEERP 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 622901467 /nfs/dbraw/zinc/90/14/67/622901467.db2.gz IAASODYPALUVQD-IJEWVQPXSA-N 2 0 295.471 1.977 10 30 CDEERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000903473792 626004659 /nfs/dbraw/zinc/00/46/59/626004659.db2.gz ACDMZQHRTJNOFK-CJNGLKHVSA-N 2 0 269.392 1.966 10 30 CDEERP C=CC(C)(C)[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000904473435 626304774 /nfs/dbraw/zinc/30/47/74/626304774.db2.gz RTJJYCLBDNCSOV-LBPRGKRZSA-N 2 0 250.390 1.400 10 30 CDEERP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001699724315 1158521040 /nfs/dbraw/zinc/52/10/40/1158521040.db2.gz IJBKTCMJDAHTHF-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001266410033 1158534820 /nfs/dbraw/zinc/53/48/20/1158534820.db2.gz WXUCBRVDQUXARP-HOTGVXAUSA-N 2 0 291.439 1.367 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1CC ZINC001670596528 1158655157 /nfs/dbraw/zinc/65/51/57/1158655157.db2.gz WLQKTBQOGCVFRK-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001700276319 1158946760 /nfs/dbraw/zinc/94/67/60/1158946760.db2.gz WSGOQOXRDZCZQU-UONOGXRCSA-N 2 0 277.412 1.095 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001271678845 1160347320 /nfs/dbraw/zinc/34/73/20/1160347320.db2.gz UAOGOCQYVKOBHQ-HUUCEWRRSA-N 2 0 291.439 1.485 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001483492918 1160929994 /nfs/dbraw/zinc/92/99/94/1160929994.db2.gz MXAJTWVIOCMJLT-UHFFFAOYSA-N 2 0 281.444 1.426 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001566528034 1168321718 /nfs/dbraw/zinc/32/17/18/1168321718.db2.gz HAVCZYPKJXOUCW-HOCLYGCPSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001566714443 1168397515 /nfs/dbraw/zinc/39/75/15/1168397515.db2.gz LTSVFHKGUDTDPH-INIZCTEOSA-N 2 0 298.390 1.927 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001566712803 1168398418 /nfs/dbraw/zinc/39/84/18/1168398418.db2.gz QZTDXAMXIBWSJI-YUELXQCFSA-N 2 0 279.428 1.387 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001566723090 1168400291 /nfs/dbraw/zinc/40/02/91/1168400291.db2.gz VXNHJRDWFKBNSS-CVEARBPZSA-N 2 0 291.439 1.367 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001567019581 1168512963 /nfs/dbraw/zinc/51/29/63/1168512963.db2.gz JIPCTZLDUQLWQT-LLVKDONJSA-N 2 0 279.409 1.151 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001567065046 1168542688 /nfs/dbraw/zinc/54/26/88/1168542688.db2.gz AXVHIHKQRYBPMT-CQSZACIVSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568851872 1169518609 /nfs/dbraw/zinc/51/86/09/1169518609.db2.gz NPXMRPSBOMOROO-YOIVVXPQSA-N 2 0 265.401 1.165 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001569141458 1169687948 /nfs/dbraw/zinc/68/79/48/1169687948.db2.gz QVLNMMZPHYJPBT-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001569309619 1169759131 /nfs/dbraw/zinc/75/91/31/1169759131.db2.gz KZJMAMUZRUJTPD-HNNXBMFYSA-N 2 0 291.439 1.675 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001570359519 1170142057 /nfs/dbraw/zinc/14/20/57/1170142057.db2.gz WVNKSLMOQYRDCD-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001662351440 1172536262 /nfs/dbraw/zinc/53/62/62/1172536262.db2.gz VYGYVAKKMOZIPP-GJZGRUSLSA-N 2 0 279.428 1.367 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001666211521 1173119245 /nfs/dbraw/zinc/11/92/45/1173119245.db2.gz IRQOIFZCJRSMDJ-GDBMZVCRSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001666673172 1173169489 /nfs/dbraw/zinc/16/94/89/1173169489.db2.gz NKTRHJXYEBKDHU-GJZGRUSLSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001672909455 1173808416 /nfs/dbraw/zinc/80/84/16/1173808416.db2.gz GOUBSMAPNFOPAS-OAHLLOKOSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001676489148 1174232782 /nfs/dbraw/zinc/23/27/82/1174232782.db2.gz YRAUASQNROSTFG-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)(C)C ZINC001677252278 1174342590 /nfs/dbraw/zinc/34/25/90/1174342590.db2.gz GKODGJGDYXYYLR-RRFJBIMHSA-N 2 0 293.455 1.470 10 30 CDEERP C=CCCN1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001688699359 1175012928 /nfs/dbraw/zinc/01/29/28/1175012928.db2.gz AFCFIASICMXADS-CVEARBPZSA-N 2 0 291.439 1.724 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001689329954 1175147249 /nfs/dbraw/zinc/14/72/49/1175147249.db2.gz XVOOTBDPVRCLKX-QLFBSQMISA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001690210272 1175404287 /nfs/dbraw/zinc/40/42/87/1175404287.db2.gz ZYRWDMXRRLKXNK-GASCZTMLSA-N 2 0 279.428 1.580 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001690407382 1175464730 /nfs/dbraw/zinc/46/47/30/1175464730.db2.gz JIHWBTQAWPTELC-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001698767035 1175925026 /nfs/dbraw/zinc/92/50/26/1175925026.db2.gz RKBILQJDPGOJPJ-CQSZACIVSA-N 2 0 281.444 1.636 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@H+](C)C(C)C ZINC001698878915 1175976542 /nfs/dbraw/zinc/97/65/42/1175976542.db2.gz OMLGAFXTYYLKDY-OAHLLOKOSA-N 2 0 281.444 1.470 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001698893723 1175979237 /nfs/dbraw/zinc/97/92/37/1175979237.db2.gz RPNFMBXWGRSCRD-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001698902454 1175981122 /nfs/dbraw/zinc/98/11/22/1175981122.db2.gz UHRZJGHGMPAFEJ-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001699034359 1176052426 /nfs/dbraw/zinc/05/24/26/1176052426.db2.gz MHXDNKGCAIPUHJ-UONOGXRCSA-N 2 0 277.412 1.143 10 30 CDEERP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001700178911 1176784152 /nfs/dbraw/zinc/78/41/52/1176784152.db2.gz LLDXMJXWOQWLPT-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001700187142 1176791859 /nfs/dbraw/zinc/79/18/59/1176791859.db2.gz JTHWAJFQFPJITA-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001700271298 1176826236 /nfs/dbraw/zinc/82/62/36/1176826236.db2.gz KQKLYCMDJBGCHO-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001700278704 1176829180 /nfs/dbraw/zinc/82/91/80/1176829180.db2.gz HBPVEJYVIVZIHN-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001700325857 1176853269 /nfs/dbraw/zinc/85/32/69/1176853269.db2.gz HDCGFKSWMVJPOU-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001700415768 1176915308 /nfs/dbraw/zinc/91/53/08/1176915308.db2.gz AXTLLAVISSTWDX-KBPBESRZSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001700479164 1176969126 /nfs/dbraw/zinc/96/91/26/1176969126.db2.gz UYCOADSVROASKS-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001700506366 1176986505 /nfs/dbraw/zinc/98/65/05/1176986505.db2.gz HLQQYYVEJCUDJH-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001700575589 1177023452 /nfs/dbraw/zinc/02/34/52/1177023452.db2.gz HXLPPTVAIGIVBU-AWEZNQCLSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001700820716 1177149163 /nfs/dbraw/zinc/14/91/63/1177149163.db2.gz FNQGFANIFYWENQ-UONOGXRCSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001700902700 1177189028 /nfs/dbraw/zinc/18/90/28/1177189028.db2.gz QZEKMUYAVGLIQB-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001707447267 1178050098 /nfs/dbraw/zinc/05/00/98/1178050098.db2.gz XVHGPZKGVIURDY-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001712956779 1178267541 /nfs/dbraw/zinc/26/75/41/1178267541.db2.gz JFWFVMYTDBHFIF-UHFFFAOYSA-N 2 0 298.390 1.718 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001713539953 1178632591 /nfs/dbraw/zinc/63/25/91/1178632591.db2.gz PFHNHLPYKAGNLR-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001713635946 1178690980 /nfs/dbraw/zinc/69/09/80/1178690980.db2.gz SCGUDZRDINMOTI-HNNXBMFYSA-N 2 0 285.407 1.433 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)c1sccc1C[NH+](C)C ZINC001714081294 1178965291 /nfs/dbraw/zinc/96/52/91/1178965291.db2.gz WDZGFVVHYNCHAQ-ZDUSSCGKSA-N 2 0 293.436 1.541 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714469731 1179157134 /nfs/dbraw/zinc/15/71/34/1179157134.db2.gz QZIJUVDPKBQJGH-HUUCEWRRSA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001714473171 1179158094 /nfs/dbraw/zinc/15/80/94/1179158094.db2.gz OUIDYEZHXGQMRM-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001714566341 1179222357 /nfs/dbraw/zinc/22/23/57/1179222357.db2.gz YSEQZBNSLJFCFW-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001715078426 1179543299 /nfs/dbraw/zinc/54/32/99/1179543299.db2.gz ADBUTLUFFPSNMP-HIFRSBDPSA-N 2 0 265.401 1.143 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001715211497 1179578040 /nfs/dbraw/zinc/57/80/40/1179578040.db2.gz YGTMBXAYSHOYFU-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC001715315771 1179619814 /nfs/dbraw/zinc/61/98/14/1179619814.db2.gz DJFIJXKEKCDAOJ-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715368858 1179645990 /nfs/dbraw/zinc/64/59/90/1179645990.db2.gz KWBXRFKFMKGXCQ-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001715378998 1179650418 /nfs/dbraw/zinc/65/04/18/1179650418.db2.gz YMIFTDBYQNLFAR-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001715504241 1179685738 /nfs/dbraw/zinc/68/57/38/1179685738.db2.gz OHGBZZGHGGKISJ-LSDHHAIUSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715682281 1179763770 /nfs/dbraw/zinc/76/37/70/1179763770.db2.gz JUPCUYJQYYUHNO-DGCLKSJQSA-N 2 0 287.835 1.565 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001716062253 1180027895 /nfs/dbraw/zinc/02/78/95/1180027895.db2.gz DSJGAAKTPNYQQL-GOEBONIOSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716140377 1180067655 /nfs/dbraw/zinc/06/76/55/1180067655.db2.gz TWYAUCBMHSYOFR-JSGCOSHPSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716140378 1180068007 /nfs/dbraw/zinc/06/80/07/1180068007.db2.gz TWYAUCBMHSYOFR-OCCSQVGLSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001716302291 1180148144 /nfs/dbraw/zinc/14/81/44/1180148144.db2.gz CDERBUJZTUYCOC-WAYWQWQTSA-N 2 0 279.428 1.699 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001716632004 1180315961 /nfs/dbraw/zinc/31/59/61/1180315961.db2.gz SIYRBTSGSGYMOE-LSDHHAIUSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001716661159 1180347000 /nfs/dbraw/zinc/34/70/00/1180347000.db2.gz FTJDACGOCKJCIO-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001716687182 1180370091 /nfs/dbraw/zinc/37/00/91/1180370091.db2.gz PZBXWJUIKRTKFF-AWEZNQCLSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001717293007 1180606561 /nfs/dbraw/zinc/60/65/61/1180606561.db2.gz FEZZBZYRHRWSGH-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001717472313 1180692791 /nfs/dbraw/zinc/69/27/91/1180692791.db2.gz KZRSCXRGDOIKSI-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP C=CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001717585359 1180750614 /nfs/dbraw/zinc/75/06/14/1180750614.db2.gz PLYWBRBIEHOIJS-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+][C@H](CCNC(=O)Cc1c[nH]cn1)C(C)C ZINC001717721723 1180806316 /nfs/dbraw/zinc/80/63/16/1180806316.db2.gz LREKFHFERUUYQU-CQSZACIVSA-N 2 0 276.384 1.096 10 30 CDEERP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001722915897 1181493585 /nfs/dbraw/zinc/49/35/85/1181493585.db2.gz JDUWIOBGNNHFHD-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001723035858 1181512107 /nfs/dbraw/zinc/51/21/07/1181512107.db2.gz CHZLKFAIWOYWPD-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001723863569 1181612684 /nfs/dbraw/zinc/61/26/84/1181612684.db2.gz VLPNVJJDMKUKTP-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001724891443 1181788294 /nfs/dbraw/zinc/78/82/94/1181788294.db2.gz QVCHJYPNVMRPGG-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001725593785 1182064714 /nfs/dbraw/zinc/06/47/14/1182064714.db2.gz OHMJQNYXWYVWGT-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001725604043 1182070482 /nfs/dbraw/zinc/07/04/82/1182070482.db2.gz HRDUUVOWHTYNHF-UONOGXRCSA-N 2 0 265.401 1.237 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001725612814 1182071407 /nfs/dbraw/zinc/07/14/07/1182071407.db2.gz AJFNVLSELDFJNL-OWCLPIDISA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001725662760 1182090470 /nfs/dbraw/zinc/09/04/70/1182090470.db2.gz QVESYSCIAAHTLC-JKSUJKDBSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001725694319 1182099619 /nfs/dbraw/zinc/09/96/19/1182099619.db2.gz ZCWWLUJXZFKZIQ-CVEARBPZSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001725783142 1182130735 /nfs/dbraw/zinc/13/07/35/1182130735.db2.gz FUHACMYJDPTEHE-UHFFFAOYSA-N 2 0 253.390 1.093 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001731284150 1182296364 /nfs/dbraw/zinc/29/63/64/1182296364.db2.gz UJKWRZHXGUKJEW-UHFFFAOYSA-N 2 0 293.455 1.714 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001731296229 1182300094 /nfs/dbraw/zinc/30/00/94/1182300094.db2.gz JYLJATFILPWRNC-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001731296245 1182300601 /nfs/dbraw/zinc/30/06/01/1182300601.db2.gz KFTKVAUPFPSERI-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001731385966 1182349659 /nfs/dbraw/zinc/34/96/59/1182349659.db2.gz PNMRSSKKDCURMR-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001731677376 1182514449 /nfs/dbraw/zinc/51/44/49/1182514449.db2.gz DQBPVBIOCYMQHU-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001731720700 1182531979 /nfs/dbraw/zinc/53/19/79/1182531979.db2.gz SXINFQBWQOPWNS-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001731860596 1182632611 /nfs/dbraw/zinc/63/26/11/1182632611.db2.gz MFTDCBTUZNKDPQ-CQSZACIVSA-N 2 0 265.401 1.096 10 30 CDEERP C=CCCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001731885650 1182651920 /nfs/dbraw/zinc/65/19/20/1182651920.db2.gz TZFOUZBQMAZOAO-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]CCC1CCN(C(=O)Cn2ccnc2)CC1 ZINC001732303526 1182899942 /nfs/dbraw/zinc/89/99/42/1182899942.db2.gz SISDCNYSAFCQHF-UHFFFAOYSA-N 2 0 288.395 1.125 10 30 CDEERP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001732547289 1183002646 /nfs/dbraw/zinc/00/26/46/1183002646.db2.gz MLRXPPLSPQCLRP-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001732807217 1183132281 /nfs/dbraw/zinc/13/22/81/1183132281.db2.gz NSAULYUOBBBXHR-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733053260 1183265872 /nfs/dbraw/zinc/26/58/72/1183265872.db2.gz ILAAAUYOFZQRTD-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001733191478 1183325203 /nfs/dbraw/zinc/32/52/03/1183325203.db2.gz XWUOTGAHLIIMTR-HNNXBMFYSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001733264320 1183377215 /nfs/dbraw/zinc/37/72/15/1183377215.db2.gz XMHKCBNPVCCWRZ-UHFFFAOYSA-N 2 0 291.439 1.514 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001733360454 1183409814 /nfs/dbraw/zinc/40/98/14/1183409814.db2.gz UFWMIAFZXZRHMJ-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001733451818 1183435968 /nfs/dbraw/zinc/43/59/68/1183435968.db2.gz RROCFVQWEVIRGU-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001733943360 1183578491 /nfs/dbraw/zinc/57/84/91/1183578491.db2.gz JIKGKWSSWBONHW-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001734024759 1183617672 /nfs/dbraw/zinc/61/76/72/1183617672.db2.gz XAENXJGHCBUFEK-UHFFFAOYSA-N 2 0 295.471 1.979 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001734288316 1183714390 /nfs/dbraw/zinc/71/43/90/1183714390.db2.gz LYDYOPATWUSUQF-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001734410795 1183768153 /nfs/dbraw/zinc/76/81/53/1183768153.db2.gz WBDOMOQWPFZNOL-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[N@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C ZINC001734552080 1183822524 /nfs/dbraw/zinc/82/25/24/1183822524.db2.gz YOOMGFHCJOMSMJ-UHFFFAOYSA-N 2 0 267.417 1.130 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000803121862 759012892 /nfs/dbraw/zinc/01/28/92/759012892.db2.gz MIIAUPFODCDBKJ-UHFFFAOYSA-N 2 0 293.455 1.899 10 30 CDEERP CC(C)C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[NH+](C)C ZINC000852856583 771391930 /nfs/dbraw/zinc/39/19/30/771391930.db2.gz BDVSZERHGNUJCA-OAHLLOKOSA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[C@H](C(=O)OC)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000878198414 768872474 /nfs/dbraw/zinc/87/24/74/768872474.db2.gz VLHWMIVSHALJKA-BFHYXJOUSA-N 2 0 266.385 1.520 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000876833004 769451443 /nfs/dbraw/zinc/45/14/43/769451443.db2.gz KKZLEIIBKIRIMZ-AXFHLTTASA-N 2 0 259.781 1.042 10 30 CDEERP C[NH+](C)Cc1ccccc1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852855610 769900515 /nfs/dbraw/zinc/90/05/15/769900515.db2.gz KIRMQVVXDJXVRC-UHFFFAOYSA-N 2 0 299.418 1.367 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000928648850 770847901 /nfs/dbraw/zinc/84/79/01/770847901.db2.gz SFTWZJLDKDHYGQ-CQSZACIVSA-N 2 0 277.412 1.073 10 30 CDEERP CCC[NH+]1CCC(CNC(NC2CC2)=[NH+]C)CC1 ZINC000848996226 770865109 /nfs/dbraw/zinc/86/51/09/770865109.db2.gz NSPXLXXYZUBXCN-UHFFFAOYSA-N 2 0 252.406 1.436 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000876535715 771267183 /nfs/dbraw/zinc/26/71/83/771267183.db2.gz JMFYJYHMWWXVBG-PWSUYJOCSA-N 2 0 261.797 1.336 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000876711496 771276150 /nfs/dbraw/zinc/27/61/50/771276150.db2.gz ZDLKCHWQZFACKA-LLVKDONJSA-N 2 0 273.808 1.447 10 30 CDEERP C=C(C)C[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925608715 771391749 /nfs/dbraw/zinc/39/17/49/771391749.db2.gz INIONYQTBVIZOG-OAHLLOKOSA-N 2 0 263.429 1.901 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000876846964 771880688 /nfs/dbraw/zinc/88/06/88/771880688.db2.gz GXRAUEJJMDBSRO-QWRGUYRKSA-N 2 0 259.781 1.186 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876755261 771958775 /nfs/dbraw/zinc/95/87/75/771958775.db2.gz IQLJUOUXECGRIT-GXMNPTEKSA-N 2 0 277.412 1.309 10 30 CDEERP C#C[C@](C)(CC)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000852100356 772581737 /nfs/dbraw/zinc/58/17/37/772581737.db2.gz WKHJQORDAPTYBM-MRXNPFEDSA-N 2 0 277.412 1.121 10 30 CDEERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852894151 772770810 /nfs/dbraw/zinc/77/08/10/772770810.db2.gz FWYREURPPGDCDR-KRWDZBQOSA-N 2 0 297.402 1.074 10 30 CDEERP C[NH+]=C(NCc1ccco1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261949369 772773448 /nfs/dbraw/zinc/77/34/48/772773448.db2.gz GWOHDYFMUBRRGL-GXTWGEPZSA-N 2 0 278.400 1.673 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000852882295 773123767 /nfs/dbraw/zinc/12/37/67/773123767.db2.gz BVQYAVQINKETIZ-UHFFFAOYSA-N 2 0 269.348 1.231 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000876913283 773150907 /nfs/dbraw/zinc/15/09/07/773150907.db2.gz PSFNZXBFOFJXSM-AGIUHOORSA-N 2 0 285.819 1.447 10 30 CDEERP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702571 773267383 /nfs/dbraw/zinc/26/73/83/773267383.db2.gz CPCDJTXTONODJA-SWLSCSKDSA-N 2 0 267.417 1.374 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000876787055 773285113 /nfs/dbraw/zinc/28/51/13/773285113.db2.gz FMOSHEJQKFFZQF-CHWSQXEVSA-N 2 0 285.819 1.447 10 30 CDEERP CC[C@]1(C)CCN(C(NC[C@@H]2CN(C)CCO2)=[NH+]C)C1 ZINC000261811776 773326560 /nfs/dbraw/zinc/32/65/60/773326560.db2.gz SQVZFIOWAIIXER-UKRRQHHQSA-N 2 0 282.432 1.014 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001570640725 1167579918 /nfs/dbraw/zinc/57/99/18/1167579918.db2.gz FFQPNIMSINXCHE-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001506892614 1167777410 /nfs/dbraw/zinc/77/74/10/1167777410.db2.gz WKOQFIYROYUFAR-BZUAXINKSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001566682839 1168032037 /nfs/dbraw/zinc/03/20/37/1168032037.db2.gz OASLPRXDDDTPAT-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001565878698 1168065061 /nfs/dbraw/zinc/06/50/61/1168065061.db2.gz XNXDQWNGTIMIKM-WKILWMFISA-N 2 0 291.439 1.370 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001566839052 1168439956 /nfs/dbraw/zinc/43/99/56/1168439956.db2.gz LMJRXFFROSPZBQ-QLFBSQMISA-N 2 0 279.428 1.672 10 30 CDEERP C=CCC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001566929942 1168470939 /nfs/dbraw/zinc/47/09/39/1168470939.db2.gz MNLGRUQIVUEYHV-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001567027894 1168517736 /nfs/dbraw/zinc/51/77/36/1168517736.db2.gz CFODWRHUIVRIRW-CYBMUJFWSA-N 2 0 279.428 1.367 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001272456961 913141596 /nfs/dbraw/zinc/14/15/96/913141596.db2.gz LSUPFCVNWHWIPW-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567415628 1168744040 /nfs/dbraw/zinc/74/40/40/1168744040.db2.gz PIABYBOOZRQQFG-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001483746276 913655982 /nfs/dbraw/zinc/65/59/82/913655982.db2.gz LFLQUSZVEOAMJU-GFCCVEGCSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)CC[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001266362665 894571556 /nfs/dbraw/zinc/57/15/56/894571556.db2.gz PEUWKMJZDWEMQA-UHFFFAOYSA-N 2 0 255.406 1.341 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C[C@@H](C)n1ccnc1)C1CC1 ZINC001266431110 894843583 /nfs/dbraw/zinc/84/35/83/894843583.db2.gz KHFOIZJGAPHGDM-HIFRSBDPSA-N 2 0 288.395 1.342 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001266530933 895243951 /nfs/dbraw/zinc/24/39/51/895243951.db2.gz OJCIDQGQJTYDTJ-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266638152 895658703 /nfs/dbraw/zinc/65/87/03/895658703.db2.gz JWJSGVBBQSXFLX-LXTVHRRPSA-N 2 0 279.428 1.530 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001266836189 896155775 /nfs/dbraw/zinc/15/57/75/896155775.db2.gz ILMFIJMPOSFHLD-UHFFFAOYSA-N 2 0 289.851 1.765 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001267310159 897560157 /nfs/dbraw/zinc/56/01/57/897560157.db2.gz RFELXSJPMXMIGJ-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001267491891 898146972 /nfs/dbraw/zinc/14/69/72/898146972.db2.gz PMSFZXZVBVYDHR-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001267493653 898149349 /nfs/dbraw/zinc/14/93/49/898149349.db2.gz KHYKDZZLAUYSPQ-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267681205 899267414 /nfs/dbraw/zinc/26/74/14/899267414.db2.gz AMDKNWYRKADCHR-AWEZNQCLSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001267697381 899315791 /nfs/dbraw/zinc/31/57/91/899315791.db2.gz JAZXNXJKLVGRJE-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001567681166 1168914162 /nfs/dbraw/zinc/91/41/62/1168914162.db2.gz NOTUYMPKPNRRIB-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001267787127 899727760 /nfs/dbraw/zinc/72/77/60/899727760.db2.gz VWHMPJZTWMXZFI-MRXNPFEDSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+]C[C@@](C)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001267853818 899877051 /nfs/dbraw/zinc/87/70/51/899877051.db2.gz SDEZTXBWGYUIBD-MRXNPFEDSA-N 2 0 288.395 1.240 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001481452202 900712891 /nfs/dbraw/zinc/71/28/91/900712891.db2.gz KMLGHPQMRICVAK-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268104865 901299742 /nfs/dbraw/zinc/29/97/42/901299742.db2.gz KHAMFFJRPRMXNY-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001268223705 901600300 /nfs/dbraw/zinc/60/03/00/901600300.db2.gz BJARRQVRCIOEFM-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481705847 901862500 /nfs/dbraw/zinc/86/25/00/901862500.db2.gz UCWCBAUAFMAIHJ-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001481710264 901892541 /nfs/dbraw/zinc/89/25/41/901892541.db2.gz SPJHRFOQBJPVMS-OAHLLOKOSA-N 2 0 277.412 1.076 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001268491029 902365401 /nfs/dbraw/zinc/36/54/01/902365401.db2.gz JCHIUMWVFNFXOJ-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@](C)(NC(=O)CC[N@@H+](C)CC)C1CC1 ZINC001481949002 902396083 /nfs/dbraw/zinc/39/60/83/902396083.db2.gz UINAKKYVFSMBPR-INIZCTEOSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268665024 902925458 /nfs/dbraw/zinc/92/54/58/902925458.db2.gz YCCZCNLXNAVQMK-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001268867000 903193908 /nfs/dbraw/zinc/19/39/08/903193908.db2.gz DEXILBALWUSNIU-UHFFFAOYSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001268915572 903243239 /nfs/dbraw/zinc/24/32/39/903243239.db2.gz OCRSNPZHJJLVFR-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)C[N@H+](C)C1CCC1 ZINC001269413470 903791107 /nfs/dbraw/zinc/79/11/07/903791107.db2.gz VOWPNKWSVSZFDQ-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001269592247 903958111 /nfs/dbraw/zinc/95/81/11/903958111.db2.gz RLUAZNXRUGSWMF-UHFFFAOYSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001270122318 904378988 /nfs/dbraw/zinc/37/89/88/904378988.db2.gz YNDGOHYUISVYFZ-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C1CCCCC1 ZINC001271346657 906259436 /nfs/dbraw/zinc/25/94/36/906259436.db2.gz GEZRVBOCNAXNQK-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001271560064 906517894 /nfs/dbraw/zinc/51/78/94/906517894.db2.gz GTYMNDFVYZQKDP-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001271654491 906571974 /nfs/dbraw/zinc/57/19/74/906571974.db2.gz DSKIISLNBSDQSR-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001482651667 908123215 /nfs/dbraw/zinc/12/32/15/908123215.db2.gz IGXQWPGSVPYJEW-OAHLLOKOSA-N 2 0 279.428 1.130 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001482896150 908462089 /nfs/dbraw/zinc/46/20/89/908462089.db2.gz XYMIWYOWTKUXQV-HIFRSBDPSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483008378 908683694 /nfs/dbraw/zinc/68/36/94/908683694.db2.gz IUHVEESVCRCPSX-SQRWCISFSA-N 2 0 291.439 1.556 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001273010101 921481193 /nfs/dbraw/zinc/48/11/93/921481193.db2.gz BJIQKVBLGJNYKB-OAHLLOKOSA-N 2 0 291.439 1.629 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001483096581 909333128 /nfs/dbraw/zinc/33/31/28/909333128.db2.gz CRSNQFXZPUCPRN-VOTSOKGWSA-N 2 0 299.418 1.647 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483228293 910297929 /nfs/dbraw/zinc/29/79/29/910297929.db2.gz LXAOCIJJOSPGFH-QJPTWQEYSA-N 2 0 273.808 1.173 10 30 CDEERP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001273591184 921785140 /nfs/dbraw/zinc/78/51/40/921785140.db2.gz HPNKHXHWFBBVGB-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484378696 915695607 /nfs/dbraw/zinc/69/56/07/915695607.db2.gz ZYMHXCKHZDJOQT-GJZGRUSLSA-N 2 0 281.444 1.588 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001484917836 916274610 /nfs/dbraw/zinc/27/46/10/916274610.db2.gz OZQFSKHCFGRMJG-AWEZNQCLSA-N 2 0 295.402 1.024 10 30 CDEERP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]2C1 ZINC001485656961 917165538 /nfs/dbraw/zinc/16/55/38/917165538.db2.gz HEKUMASHKWKJOE-ARFHVFGLSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001272837618 919891293 /nfs/dbraw/zinc/89/12/93/919891293.db2.gz KACFNWUSXSICAO-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001485874270 920539232 /nfs/dbraw/zinc/53/92/32/920539232.db2.gz VRLVYZQRVREZBY-GJZGRUSLSA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001486093041 920692142 /nfs/dbraw/zinc/69/21/42/920692142.db2.gz STFDNNBMUUMWSX-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486178411 920779483 /nfs/dbraw/zinc/77/94/83/920779483.db2.gz CRMHQLWWZXBZCU-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001486424400 920994862 /nfs/dbraw/zinc/99/48/62/920994862.db2.gz SKFKIIFGHINCBI-UONOGXRCSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CCn2ccnc2)C1 ZINC001276404223 936829564 /nfs/dbraw/zinc/82/95/64/936829564.db2.gz AYYBWTDEBKRGIF-AWEZNQCLSA-N 2 0 290.411 1.676 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491111995 936858227 /nfs/dbraw/zinc/85/82/27/936858227.db2.gz XBKRDCBHRNPMDA-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001491180626 936869706 /nfs/dbraw/zinc/86/97/06/936869706.db2.gz UKDFQLMBWJBPHW-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001273203398 924685490 /nfs/dbraw/zinc/68/54/90/924685490.db2.gz YRIVTJOMWNJMOH-UHFFFAOYSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001490605929 927259405 /nfs/dbraw/zinc/25/94/05/927259405.db2.gz NWRFQJCCDLUXHM-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001568468612 1169301184 /nfs/dbraw/zinc/30/11/84/1169301184.db2.gz LANJZQIDSBOXSM-CABCVRRESA-N 2 0 283.460 1.879 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC001135835149 930450070 /nfs/dbraw/zinc/45/00/70/930450070.db2.gz KGHSYWJSHPDAMY-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001320150041 931499814 /nfs/dbraw/zinc/49/98/14/931499814.db2.gz AMPPRIFNVMQFFY-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275405517 931775467 /nfs/dbraw/zinc/77/54/67/931775467.db2.gz VMFYGSVHZOHXID-KBPBESRZSA-N 2 0 281.444 1.920 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001122103021 937905370 /nfs/dbraw/zinc/90/53/70/937905370.db2.gz RZYQXAJOVLENTI-CHWSQXEVSA-N 2 0 267.417 1.564 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001281952794 945232012 /nfs/dbraw/zinc/23/20/12/945232012.db2.gz PEUJOFORKQMVAA-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001276970463 941751489 /nfs/dbraw/zinc/75/14/89/941751489.db2.gz RAGQNMAVVQBWMS-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001280094106 942416694 /nfs/dbraw/zinc/41/66/94/942416694.db2.gz HQSZXAUFMMETER-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001281682620 942608870 /nfs/dbraw/zinc/60/88/70/942608870.db2.gz FOSICSMYFQLHFM-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001281957663 942637596 /nfs/dbraw/zinc/63/75/96/942637596.db2.gz SZDJXVVKGDOBHU-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001282002687 942643757 /nfs/dbraw/zinc/64/37/57/942643757.db2.gz PDDOBGDEHKUPDR-AVVWSFFYSA-N 2 0 291.439 1.389 10 30 CDEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001283552878 942930824 /nfs/dbraw/zinc/93/08/24/942930824.db2.gz JLULEVIGSOGQPY-OAHLLOKOSA-N 2 0 291.439 1.485 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001316630374 943010863 /nfs/dbraw/zinc/01/08/63/943010863.db2.gz JGDMUXOCZFTAOB-JYJNAYRXSA-N 2 0 291.439 1.367 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001284031660 943056191 /nfs/dbraw/zinc/05/61/91/943056191.db2.gz LBBSPCDPLVIZDV-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001263874248 944017152 /nfs/dbraw/zinc/01/71/52/944017152.db2.gz WRHXDCYTKBTFDB-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001264115590 944081529 /nfs/dbraw/zinc/08/15/29/944081529.db2.gz ZJECDJKCBXYLDF-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264682454 944162423 /nfs/dbraw/zinc/16/24/23/944162423.db2.gz XRUFKMKDOHVZKB-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001264743056 944173025 /nfs/dbraw/zinc/17/30/25/944173025.db2.gz QUFLMINQVPCJEW-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265231057 944288655 /nfs/dbraw/zinc/28/86/55/944288655.db2.gz REUOVLDAOGGNGW-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265436712 944387393 /nfs/dbraw/zinc/38/73/93/944387393.db2.gz MYXPLZQOGUMRLI-SOUVJXGZSA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001265688054 944470122 /nfs/dbraw/zinc/47/01/22/944470122.db2.gz LPEDNQLQTPQXBA-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001265832977 944532053 /nfs/dbraw/zinc/53/20/53/944532053.db2.gz UODQMCFKNPEUGQ-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001266020247 944635080 /nfs/dbraw/zinc/63/50/80/944635080.db2.gz FYEOFCZJGJFVBY-HZPDHXFCSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001266070875 944662662 /nfs/dbraw/zinc/66/26/62/944662662.db2.gz YNNQVEYFQMFOBM-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001266083104 944668627 /nfs/dbraw/zinc/66/86/27/944668627.db2.gz STQBSLXIEDGKHS-UHFFFAOYSA-N 2 0 281.444 1.426 10 30 CDEERP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266147117 944714028 /nfs/dbraw/zinc/71/40/28/944714028.db2.gz WDLTVDPTQHAVRO-RBSFLKMASA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)CCC)CC1 ZINC001266195252 944746800 /nfs/dbraw/zinc/74/68/00/944746800.db2.gz QFKAVGVKBWDXHR-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001266234236 944776535 /nfs/dbraw/zinc/77/65/35/944776535.db2.gz ABICVKMCBNDGRT-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]2C1 ZINC001279410107 944801176 /nfs/dbraw/zinc/80/11/76/944801176.db2.gz QMHJNQUEEONPNL-IYBDPMFKSA-N 2 0 293.455 1.685 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001479724364 971384351 /nfs/dbraw/zinc/38/43/51/971384351.db2.gz MIITZIRCFOCXAC-ILXRZTDVSA-N 2 0 279.428 1.175 10 30 CDEERP C=CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001278422492 947875066 /nfs/dbraw/zinc/87/50/66/947875066.db2.gz DUJFANJUILAXRG-CABCVRRESA-N 2 0 297.443 1.108 10 30 CDEERP C=CCC[NH+]1CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001479892714 971472235 /nfs/dbraw/zinc/47/22/35/971472235.db2.gz IQPOWDNVOULBGL-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001480026238 971543988 /nfs/dbraw/zinc/54/39/88/971543988.db2.gz CXZDNMDQUMUUAL-CVEARBPZSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480144796 971600142 /nfs/dbraw/zinc/60/01/42/971600142.db2.gz OCWREZISLHZJJO-SHTZXODSSA-N 2 0 289.423 1.123 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001324774964 953571661 /nfs/dbraw/zinc/57/16/61/953571661.db2.gz FRHKAEVPUMQNTI-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCC1 ZINC001326845122 954586889 /nfs/dbraw/zinc/58/68/89/954586889.db2.gz GYSAQBGYWAJYNP-OAHLLOKOSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001328693379 955421075 /nfs/dbraw/zinc/42/10/75/955421075.db2.gz HZJYSLVFLCAJPR-SJLPKXTDSA-N 2 0 299.418 1.333 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001421762158 955528595 /nfs/dbraw/zinc/52/85/95/955528595.db2.gz BGSUCEJYNBEKBU-NSHDSACASA-N 2 0 275.824 1.421 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC)CC1 ZINC001329202102 955753268 /nfs/dbraw/zinc/75/32/68/955753268.db2.gz HYSCLEGSHBTXGR-ZIAGYGMSSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001422489892 956081555 /nfs/dbraw/zinc/08/15/55/956081555.db2.gz KWHADUIVBZJGDY-OLZOCXBDSA-N 2 0 287.835 1.708 10 30 CDEERP C=CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001329765675 956106240 /nfs/dbraw/zinc/10/62/40/956106240.db2.gz QIUPHAZXYIWODZ-HOTGVXAUSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001330475095 956444472 /nfs/dbraw/zinc/44/44/72/956444472.db2.gz LXNPJVVKZBEFPE-HRCADAONSA-N 2 0 293.455 1.729 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001317480270 956670750 /nfs/dbraw/zinc/67/07/50/956670750.db2.gz UDXCIBDTIWKVDH-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001317128805 957294094 /nfs/dbraw/zinc/29/40/94/957294094.db2.gz SINZNIGWSNINHO-GASCZTMLSA-N 2 0 277.412 1.123 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317134719 957297705 /nfs/dbraw/zinc/29/77/05/957297705.db2.gz CBCDCEQOHSXOJS-AWEZNQCLSA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001331898295 957322324 /nfs/dbraw/zinc/32/23/24/957322324.db2.gz VPHZJNAWUDAWDQ-HIFRSBDPSA-N 2 0 277.412 1.073 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC001317728575 957648845 /nfs/dbraw/zinc/64/88/45/957648845.db2.gz NTGPOHDZTOBKBQ-INIZCTEOSA-N 2 0 289.423 1.960 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001319208180 958435761 /nfs/dbraw/zinc/43/57/61/958435761.db2.gz WSQVJLNUBMNPJH-LBPRGKRZSA-N 2 0 286.379 1.784 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001319454397 958573570 /nfs/dbraw/zinc/57/35/70/958573570.db2.gz NDACIDDZNHIEOF-HUUCEWRRSA-N 2 0 279.428 1.319 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001319711848 958696457 /nfs/dbraw/zinc/69/64/57/958696457.db2.gz IBHLNVMBBAKIKT-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001320068659 958918253 /nfs/dbraw/zinc/91/82/53/958918253.db2.gz LCYFQIXTEMBXQA-HUUCEWRRSA-N 2 0 279.428 1.130 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001320440627 959173395 /nfs/dbraw/zinc/17/33/95/959173395.db2.gz UXKZBJRWUCYQBZ-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001321747113 959930493 /nfs/dbraw/zinc/93/04/93/959930493.db2.gz UKZFYGOQXDUCNT-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001322042913 960065986 /nfs/dbraw/zinc/06/59/86/960065986.db2.gz ZKRXCAMJJKXXDQ-HOCLYGCPSA-N 2 0 287.407 1.407 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001337559298 961276349 /nfs/dbraw/zinc/27/63/49/961276349.db2.gz UYRIAQZMRRPSFL-CALCHBBNSA-N 2 0 291.439 1.439 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001340982977 963222310 /nfs/dbraw/zinc/22/23/10/963222310.db2.gz IXTNAUQHSVHHKH-GOEBONIOSA-N 2 0 279.428 1.662 10 30 CDEERP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001444108099 965739967 /nfs/dbraw/zinc/73/99/67/965739967.db2.gz OEMFIRSSFRUHOK-ZFWWWQNUSA-N 2 0 299.846 1.708 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001569500165 1169901977 /nfs/dbraw/zinc/90/19/77/1169901977.db2.gz ZROJPLGAIDNTSZ-CABCVRRESA-N 2 0 293.455 1.826 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001542129767 967212364 /nfs/dbraw/zinc/21/23/64/967212364.db2.gz IJTBNVMTEXWXNE-OAHLLOKOSA-N 2 0 293.386 1.662 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC001353591871 968089057 /nfs/dbraw/zinc/08/90/57/968089057.db2.gz WYOHHTPPRVLKQM-ZDUSSCGKSA-N 2 0 253.390 1.223 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001495577631 972542352 /nfs/dbraw/zinc/54/23/52/972542352.db2.gz KPSCNLUVRBYWQF-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001495588048 972546192 /nfs/dbraw/zinc/54/61/92/972546192.db2.gz FJXQTZSLIWBXAV-CQSZACIVSA-N 2 0 277.412 1.239 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001496219535 972846259 /nfs/dbraw/zinc/84/62/59/972846259.db2.gz WIQDTMDBWVRONZ-HOCLYGCPSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001496297913 972878849 /nfs/dbraw/zinc/87/88/49/972878849.db2.gz XXTZLLJKGQNPFZ-KBPBESRZSA-N 2 0 267.417 1.245 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497305485 973281332 /nfs/dbraw/zinc/28/13/32/973281332.db2.gz YHZMMFSCYKSPPQ-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001497911031 973574097 /nfs/dbraw/zinc/57/40/97/973574097.db2.gz RMSNPFPMQBUDMB-CJNGLKHVSA-N 2 0 297.418 1.317 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001498314201 973824253 /nfs/dbraw/zinc/82/42/53/973824253.db2.gz QDQIPKDDULERJC-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001501153813 974542729 /nfs/dbraw/zinc/54/27/29/974542729.db2.gz WIRGCTBRPWWTBY-HOTGVXAUSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCC1 ZINC001501979752 974667099 /nfs/dbraw/zinc/66/70/99/974667099.db2.gz GDBLTDKWNFCCJK-UHFFFAOYSA-N 2 0 277.412 1.429 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505685475 974962411 /nfs/dbraw/zinc/96/24/11/974962411.db2.gz HNKMJVNDRKCKDL-KBPBESRZSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001505761200 974985587 /nfs/dbraw/zinc/98/55/87/974985587.db2.gz RCTAWNULZKEJIU-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001507163080 975359758 /nfs/dbraw/zinc/35/97/58/975359758.db2.gz MVRKSJKWQYSDCW-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001508038430 975585932 /nfs/dbraw/zinc/58/59/32/975585932.db2.gz QWKUPFWTDYJBTB-AWEZNQCLSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001508114700 975614239 /nfs/dbraw/zinc/61/42/39/975614239.db2.gz JJEGDRMOBAWKTI-UHFFFAOYSA-N 2 0 277.412 1.073 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001401856962 975956534 /nfs/dbraw/zinc/95/65/34/975956534.db2.gz ZGVURXLSRYVVET-KBPBESRZSA-N 2 0 299.846 1.708 10 30 CDEERP C=C(Cl)CN1CC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001399929252 976755127 /nfs/dbraw/zinc/75/51/27/976755127.db2.gz HGJSLWYKKGPUMN-OCCSQVGLSA-N 2 0 299.846 1.519 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001676766309 1174269515 /nfs/dbraw/zinc/26/95/15/1174269515.db2.gz BZFIRJOCMBXPAT-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)CC1(C)C ZINC001677004819 1174307472 /nfs/dbraw/zinc/30/74/72/1174307472.db2.gz ZEIIBJCLFCBFGZ-ZIAGYGMSSA-N 2 0 297.418 1.126 10 30 CDEERP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001570530165 1170181456 /nfs/dbraw/zinc/18/14/56/1170181456.db2.gz FTZMWBZSJHDTKU-BZUAXINKSA-N 2 0 293.455 1.826 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCCC1 ZINC001570804388 1170282048 /nfs/dbraw/zinc/28/20/48/1170282048.db2.gz HLRIQXAWSVIOPX-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001571371292 1170389794 /nfs/dbraw/zinc/38/97/94/1170389794.db2.gz NBIGMNSYGMMNKI-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000592346094 342686059 /nfs/dbraw/zinc/68/60/59/342686059.db2.gz PKRJKIRKZNXQRH-HNNXBMFYSA-N 2 0 294.443 1.420 10 30 CDEERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441673 342907488 /nfs/dbraw/zinc/90/74/88/342907488.db2.gz UMANQRIGPZVIHA-UONOGXRCSA-N 2 0 280.416 1.388 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000594450356 342909916 /nfs/dbraw/zinc/90/99/16/342909916.db2.gz ZEKUHZWDWFSUHV-QWHCGFSZSA-N 2 0 278.400 1.189 10 30 CDEERP CC[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600714175 342244045 /nfs/dbraw/zinc/24/40/45/342244045.db2.gz JQDWMVDGQQABMS-CYBMUJFWSA-N 2 0 251.374 1.115 10 30 CDEERP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000600715724 342244096 /nfs/dbraw/zinc/24/40/96/342244096.db2.gz HTNJTICWTVGNMH-RDBSUJKOSA-N 2 0 263.385 1.258 10 30 CDEERP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600719902 342244631 /nfs/dbraw/zinc/24/46/31/342244631.db2.gz FLUAYAORAJXLNA-LSDHHAIUSA-N 2 0 279.428 1.751 10 30 CDEERP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C(C)(C)C ZINC000600723331 342245036 /nfs/dbraw/zinc/24/50/36/342245036.db2.gz KRAXLYKNEHSFTF-ZIAGYGMSSA-N 2 0 281.444 1.997 10 30 CDEERP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCCN2C2CC2)CC1 ZINC000600734428 342245988 /nfs/dbraw/zinc/24/59/88/342245988.db2.gz PIBCGYFOAZMYSF-GJZGRUSLSA-N 2 0 277.412 1.648 10 30 CDEERP CNC(=[NH2+])NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000153557513 361358402 /nfs/dbraw/zinc/35/84/02/361358402.db2.gz RFPJFIMGWYTQFR-HNNXBMFYSA-N 2 0 260.385 1.575 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001661202318 1172353120 /nfs/dbraw/zinc/35/31/20/1172353120.db2.gz OUAFHLMCZSHOGX-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001661554513 1172405524 /nfs/dbraw/zinc/40/55/24/1172405524.db2.gz CBNAZLIOBZSJDD-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH+]1CCC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001661748042 1172437415 /nfs/dbraw/zinc/43/74/15/1172437415.db2.gz LERIXYLPKUWBAE-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001662542003 1172559840 /nfs/dbraw/zinc/55/98/40/1172559840.db2.gz YPBBFLTYNOPKGD-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC([C@H](C)[NH3+])CC2)CCC[NH2+]1 ZINC000662409343 412976509 /nfs/dbraw/zinc/97/65/09/412976509.db2.gz IFKSBTHMVSITKP-SWLSCSKDSA-N 2 0 265.401 1.271 10 30 CDEERP COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1C#N ZINC000423121404 392958681 /nfs/dbraw/zinc/95/86/81/392958681.db2.gz IQYKECTUKZIFBW-KCPJHIHWSA-N 2 0 289.379 1.409 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662690860 413320638 /nfs/dbraw/zinc/32/06/38/413320638.db2.gz ONEATFQKJAEFJS-NVXWUHKLSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[C@@]1(C(=O)NCC2CC[NH+](CCC)CC2)CCC[NH2+]1 ZINC000662694620 413329264 /nfs/dbraw/zinc/32/92/64/413329264.db2.gz YHDCDOZYJNMLRZ-KRWDZBQOSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001665350033 1172983941 /nfs/dbraw/zinc/98/39/41/1172983941.db2.gz FONLQUDIAIMVGR-DZGCQCFKSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC(CC[NH2+]C)CC2)CCC[NH2+]1 ZINC000662765114 413460248 /nfs/dbraw/zinc/46/02/48/413460248.db2.gz VVNDPWZJGCXUBT-INIZCTEOSA-N 2 0 279.428 1.533 10 30 CDEERP COC[C@@H](C)[N@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043683836 175091579 /nfs/dbraw/zinc/09/15/79/175091579.db2.gz WPAPTMYPSZSKIV-LLVKDONJSA-N 2 0 252.383 1.525 10 30 CDEERP COCC[NH+](CCOC)Cc1ccc(C#CC[NH3+])s1 ZINC000043683998 175091789 /nfs/dbraw/zinc/09/17/89/175091789.db2.gz VYVDPTCRTXVVLJ-UHFFFAOYSA-N 2 0 282.409 1.153 10 30 CDEERP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689077 175095676 /nfs/dbraw/zinc/09/56/76/175095676.db2.gz UNZHJZPKDCALFK-AAEUAGOBSA-N 2 0 291.420 1.144 10 30 CDEERP C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C#CC[NH3+] ZINC000044566220 175208399 /nfs/dbraw/zinc/20/83/99/175208399.db2.gz FWYUTQKLOFFKTO-OAHLLOKOSA-N 2 0 285.391 1.211 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001672208949 1173752045 /nfs/dbraw/zinc/75/20/45/1173752045.db2.gz JZBMPGSMZVKHLD-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C2 ZINC001672352456 1173766915 /nfs/dbraw/zinc/76/69/15/1173766915.db2.gz BCNYHTXYCDJYKY-MUJYYYPQSA-N 2 0 293.455 1.873 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CN(C)C(NC[C@@H]1CCC[C@H]1O)=[NH+]C ZINC000262776426 330030780 /nfs/dbraw/zinc/03/07/80/330030780.db2.gz JLRCPEYKZKFELK-RRFJBIMHSA-N 2 0 296.459 1.139 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC12CC2 ZINC000263090480 330042996 /nfs/dbraw/zinc/04/29/96/330042996.db2.gz ISMJAHUSKFYPPM-RYUDHWBXSA-N 2 0 250.390 1.175 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001691476828 1159335620 /nfs/dbraw/zinc/33/56/20/1159335620.db2.gz RSLUTXCMVBHPPK-UHFFFAOYSA-N 2 0 289.423 1.638 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001733900478 1183563271 /nfs/dbraw/zinc/56/32/71/1183563271.db2.gz OWCWSPGOMHWLTA-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP CCC[NH+]1CCN(Cc2ccc(C#CC[NH3+])cc2F)CC1 ZINC000049608703 519858784 /nfs/dbraw/zinc/85/87/84/519858784.db2.gz XRXIIWSHHQESHF-UHFFFAOYSA-N 2 0 289.398 1.664 10 30 CDEERP COc1ccc(C[N@@H+]2CCC[C@H]2C)cc1C#CC[NH3+] ZINC000049608286 524030374 /nfs/dbraw/zinc/03/03/74/524030374.db2.gz UZDHCZIAPJNFBV-CYBMUJFWSA-N 2 0 258.365 1.990 10 30 CDEERP C=CC[C@]1(C(=O)NCCC[NH+]2CCCC2)CCC[NH2+]1 ZINC000662669634 538322995 /nfs/dbraw/zinc/32/29/95/538322995.db2.gz BDDSDGSYTQQBSV-OAHLLOKOSA-N 2 0 265.401 1.287 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001689809598 1175267788 /nfs/dbraw/zinc/26/77/88/1175267788.db2.gz AZXKEQZJPFHCCP-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001690293948 1175429158 /nfs/dbraw/zinc/42/91/58/1175429158.db2.gz MOLFOPDOKLOZNQ-WKILWMFISA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939544545 613351149 /nfs/dbraw/zinc/35/11/49/613351149.db2.gz KLSSCROOHJETDU-KGLIPLIRSA-N 2 0 277.412 1.095 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939810518 613351266 /nfs/dbraw/zinc/35/12/66/613351266.db2.gz NBYGFEGAWCRIDD-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP N#Cc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925714884 617826760 /nfs/dbraw/zinc/82/67/60/617826760.db2.gz YHVWKUNKHOAOTM-CABCVRRESA-N 2 0 255.365 1.960 10 30 CDEERP C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923363222 618323593 /nfs/dbraw/zinc/32/35/93/618323593.db2.gz AMKLQQQZIZGRFV-KKUMJFAQSA-N 2 0 252.402 1.778 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000912598914 630083916 /nfs/dbraw/zinc/08/39/16/630083916.db2.gz HKVIKGMOYJLORL-KBPBESRZSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000912732017 630183843 /nfs/dbraw/zinc/18/38/43/630183843.db2.gz NYVWMWZDLSGCNV-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001670481497 1158617895 /nfs/dbraw/zinc/61/78/95/1158617895.db2.gz YYEIXOBRUIHUFT-LSDHHAIUSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001691043741 1158691373 /nfs/dbraw/zinc/69/13/73/1158691373.db2.gz WTOHTCDFERHYMZ-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001266820314 1158862595 /nfs/dbraw/zinc/86/25/95/1158862595.db2.gz LMXWSLRFVNRIKN-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001691126718 1158923237 /nfs/dbraw/zinc/92/32/37/1158923237.db2.gz WALQXLOCVSAPBT-GEEKYZPCSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001691184679 1158949174 /nfs/dbraw/zinc/94/91/74/1158949174.db2.gz VXDUNJKZPFTRJP-HDJSIYSDSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267628536 1159550138 /nfs/dbraw/zinc/55/01/38/1159550138.db2.gz ZSPPFGGKJDDRMJ-GJZGRUSLSA-N 2 0 299.434 1.823 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483051896 1160711312 /nfs/dbraw/zinc/71/13/12/1160711312.db2.gz YZUSGAYUGDSEEP-BEWKBBBFSA-N 2 0 277.412 1.002 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001618273107 1165627862 /nfs/dbraw/zinc/62/78/62/1165627862.db2.gz HONOFPJJFILVQA-OLZOCXBDSA-N 2 0 253.390 1.045 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000876953095 1165946868 /nfs/dbraw/zinc/94/68/68/1165946868.db2.gz IVIBUIXQPBRLOR-GFCCVEGCSA-N 2 0 287.835 1.789 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001567941718 1169082041 /nfs/dbraw/zinc/08/20/41/1169082041.db2.gz GVDDUHUGFCLEFV-INIZCTEOSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001568073818 1169132825 /nfs/dbraw/zinc/13/28/25/1169132825.db2.gz UPVLXSJSFCTQRV-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001569257766 1169738180 /nfs/dbraw/zinc/73/81/80/1169738180.db2.gz KZYJQKFPWPCNMQ-UHFFFAOYSA-N 2 0 285.819 1.273 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001569543865 1169918735 /nfs/dbraw/zinc/91/87/35/1169918735.db2.gz BMBNUHZJVCGVLH-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001569563778 1169924999 /nfs/dbraw/zinc/92/49/99/1169924999.db2.gz WKNDIOXYRIZRIQ-RDJZCZTQSA-N 2 0 289.423 1.076 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001570562606 1170190793 /nfs/dbraw/zinc/19/07/93/1170190793.db2.gz NGWCSNOBJNQHTH-GPANFISMSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001571367258 1170388290 /nfs/dbraw/zinc/38/82/90/1170388290.db2.gz FOVPELJZAKROCJ-LSDHHAIUSA-N 2 0 279.428 1.032 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001571547812 1170473043 /nfs/dbraw/zinc/47/30/43/1170473043.db2.gz HFYFYDUTAHYCLK-KBPBESRZSA-N 2 0 277.412 1.143 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001660203723 1172176411 /nfs/dbraw/zinc/17/64/11/1172176411.db2.gz SPYIAFXJTIHRGO-UHFFFAOYSA-N 2 0 286.379 1.880 10 30 CDEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001661275950 1172363133 /nfs/dbraw/zinc/36/31/33/1172363133.db2.gz MHNQBDLRCKKANP-IYBDPMFKSA-N 2 0 291.439 1.724 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001663422585 1172691657 /nfs/dbraw/zinc/69/16/57/1172691657.db2.gz JUYXSZVSSXSKGU-MRXNPFEDSA-N 2 0 299.434 1.823 10 30 CDEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001664467253 1172856577 /nfs/dbraw/zinc/85/65/77/1172856577.db2.gz IARNPBBXJUDGHO-OAHLLOKOSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+]CCC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001666239788 1173120383 /nfs/dbraw/zinc/12/03/83/1173120383.db2.gz AOJQUROGMNHDAM-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001668883294 1173476611 /nfs/dbraw/zinc/47/66/11/1173476611.db2.gz OEGAJWLSPNMZJF-SNAWJCMRSA-N 2 0 289.423 1.148 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001669955825 1173637497 /nfs/dbraw/zinc/63/74/97/1173637497.db2.gz KTIMYKNMMXUOLB-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001671774023 1173709779 /nfs/dbraw/zinc/70/97/79/1173709779.db2.gz CUGWKVGBAYEDRV-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001676754601 1174266627 /nfs/dbraw/zinc/26/66/27/1174266627.db2.gz GHNHGQNRAAMYEH-ZIAGYGMSSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001690735090 1175559804 /nfs/dbraw/zinc/55/98/04/1175559804.db2.gz RMMCJDNKYVKRNL-CQSZACIVSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001690751542 1175564269 /nfs/dbraw/zinc/56/42/69/1175564269.db2.gz MXZIQCLUYJPLQM-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001692195477 1175698518 /nfs/dbraw/zinc/69/85/18/1175698518.db2.gz LCVVPRLUQRVTCY-BBRMVZONSA-N 2 0 291.439 1.483 10 30 CDEERP C=CCC[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001698573953 1175853025 /nfs/dbraw/zinc/85/30/25/1175853025.db2.gz OAWKRVKLKAJJRZ-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001698635948 1175880965 /nfs/dbraw/zinc/88/09/65/1175880965.db2.gz UHGREGZISBZRCR-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001699591898 1176490690 /nfs/dbraw/zinc/49/06/90/1176490690.db2.gz FJOKIXBSXRYGCP-HNNXBMFYSA-N 2 0 291.439 1.533 10 30 CDEERP C=CCC[NH+]1CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001699637690 1176534965 /nfs/dbraw/zinc/53/49/65/1176534965.db2.gz TYNRWSOKBFLPEC-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001699753611 1176607938 /nfs/dbraw/zinc/60/79/38/1176607938.db2.gz SHIQIGNUBRKPED-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001699827988 1176646077 /nfs/dbraw/zinc/64/60/77/1176646077.db2.gz VZJMJTKEWVFNFY-HNNXBMFYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001700267215 1176825440 /nfs/dbraw/zinc/82/54/40/1176825440.db2.gz LMJVFZYIZDJYPF-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001700323820 1176851506 /nfs/dbraw/zinc/85/15/06/1176851506.db2.gz NGWVJQSOGCPNLK-HUUCEWRRSA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001700319496 1176849003 /nfs/dbraw/zinc/84/90/03/1176849003.db2.gz AUVLPFFNQUNAGO-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH+](CC)CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001700342816 1176859187 /nfs/dbraw/zinc/85/91/87/1176859187.db2.gz GMMIRLDZJWRIKZ-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001700634819 1177046082 /nfs/dbraw/zinc/04/60/82/1177046082.db2.gz SJLISHCYDIFIMN-HDJSIYSDSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001700684083 1177072691 /nfs/dbraw/zinc/07/26/91/1177072691.db2.gz MTMGYPGVXWEYPG-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001700729413 1177098039 /nfs/dbraw/zinc/09/80/39/1177098039.db2.gz TWTPORXUIDDPRI-OAHLLOKOSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001700736736 1177101677 /nfs/dbraw/zinc/10/16/77/1177101677.db2.gz NFAQQBCFRGYCOZ-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001700780036 1177130195 /nfs/dbraw/zinc/13/01/95/1177130195.db2.gz ICBQGOSGORXEIG-CYBMUJFWSA-N 2 0 255.406 1.339 10 30 CDEERP CC#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1CC ZINC001707199556 1177964930 /nfs/dbraw/zinc/96/49/30/1177964930.db2.gz DNXMYNKKYBMTMY-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001707223813 1177973976 /nfs/dbraw/zinc/97/39/76/1177973976.db2.gz NOSVNGJFWKTMGA-CVEARBPZSA-N 2 0 291.439 1.132 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713020013 1178305816 /nfs/dbraw/zinc/30/58/16/1178305816.db2.gz XUBOIUOOVSLERN-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713159480 1178404485 /nfs/dbraw/zinc/40/44/85/1178404485.db2.gz BFFSCPPUXYIXSE-JOCQHMNTSA-N 2 0 265.401 1.284 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001713220757 1178437954 /nfs/dbraw/zinc/43/79/54/1178437954.db2.gz SDTKWYOXXUYYET-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713216149 1178438576 /nfs/dbraw/zinc/43/85/76/1178438576.db2.gz ZMRXYHXHQAIMBC-CVEARBPZSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001713640900 1178692313 /nfs/dbraw/zinc/69/23/13/1178692313.db2.gz ABNMJWLUQPPGMD-UHFFFAOYSA-N 2 0 287.835 1.519 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001714035591 1178939242 /nfs/dbraw/zinc/93/92/42/1178939242.db2.gz LXVXLRJMUPACKY-CVEARBPZSA-N 2 0 295.471 1.977 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001714083076 1178965198 /nfs/dbraw/zinc/96/51/98/1178965198.db2.gz VVYSRTGKTJVNJP-ZDUSSCGKSA-N 2 0 284.363 1.374 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001714290336 1179069173 /nfs/dbraw/zinc/06/91/73/1179069173.db2.gz CUELHAQNEJTGOT-ZBFHGGJFSA-N 2 0 287.407 1.407 10 30 CDEERP C=CCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001714544185 1179199417 /nfs/dbraw/zinc/19/94/17/1179199417.db2.gz WPBFCCIVYZRJEZ-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001714570259 1179225610 /nfs/dbraw/zinc/22/56/10/1179225610.db2.gz DYXIDWMAKRJAEJ-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001715192043 1179572951 /nfs/dbraw/zinc/57/29/51/1179572951.db2.gz UZEADWXRXQTDEX-HDJSIYSDSA-N 2 0 267.417 1.530 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001715573030 1179722155 /nfs/dbraw/zinc/72/21/55/1179722155.db2.gz XOYXWQXCYMSZDX-CVEARBPZSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001715727390 1179781454 /nfs/dbraw/zinc/78/14/54/1179781454.db2.gz HAHHUOCPTQSNTR-HUUCEWRRSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001715937325 1179928643 /nfs/dbraw/zinc/92/86/43/1179928643.db2.gz ZROASZCBIJGJCE-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001716030228 1180006347 /nfs/dbraw/zinc/00/63/47/1180006347.db2.gz NVXRJMHSPCRYOA-CABCVRRESA-N 2 0 279.428 1.319 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001716223827 1180110386 /nfs/dbraw/zinc/11/03/86/1180110386.db2.gz FSKMWNLJEDNESG-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001716551378 1180281441 /nfs/dbraw/zinc/28/14/41/1180281441.db2.gz ZBYRZUXZIJHTRX-ZDUSSCGKSA-N 2 0 276.384 1.070 10 30 CDEERP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001716837212 1180430768 /nfs/dbraw/zinc/43/07/68/1180430768.db2.gz ROVBVTIFCSXYBB-HOCLYGCPSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001716851754 1180440214 /nfs/dbraw/zinc/44/02/14/1180440214.db2.gz RLRKYPFISXENFW-CQSZACIVSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001717215665 1180580056 /nfs/dbraw/zinc/58/00/56/1180580056.db2.gz QWYSDQHSPXXHDU-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001717302201 1180611835 /nfs/dbraw/zinc/61/18/35/1180611835.db2.gz UVRQIFWYPZFBDT-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001717393001 1180644500 /nfs/dbraw/zinc/64/45/00/1180644500.db2.gz NEHZGFGGQAHDMX-DQPZFDDXSA-N 2 0 291.439 1.533 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001717434102 1180670152 /nfs/dbraw/zinc/67/01/52/1180670152.db2.gz BJJLJIOTSBGEAI-ZIAGYGMSSA-N 2 0 267.417 1.224 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001717495799 1180711799 /nfs/dbraw/zinc/71/17/99/1180711799.db2.gz ZGCOMMFLASNWDI-AWEZNQCLSA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001717531250 1180724421 /nfs/dbraw/zinc/72/44/21/1180724421.db2.gz GMBRBTOPHDUPOS-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001717564381 1180741722 /nfs/dbraw/zinc/74/17/22/1180741722.db2.gz GLDNORSXRUIHEH-CYBMUJFWSA-N 2 0 267.417 1.339 10 30 CDEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717736666 1180817540 /nfs/dbraw/zinc/81/75/40/1180817540.db2.gz VSAWXZPCZJBENW-JKSUJKDBSA-N 2 0 293.455 1.423 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cncn2C)C1 ZINC001717825333 1180882444 /nfs/dbraw/zinc/88/24/44/1180882444.db2.gz FDJCMEZHPISOGN-KBPBESRZSA-N 2 0 290.411 1.508 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001717861251 1180898158 /nfs/dbraw/zinc/89/81/58/1180898158.db2.gz VMSBZDKXTVSGGI-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717879663 1180909347 /nfs/dbraw/zinc/90/93/47/1180909347.db2.gz RYPDGHIXATZQJK-KBPBESRZSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001717879300 1180909643 /nfs/dbraw/zinc/90/96/43/1180909643.db2.gz NMWLQNFLCFRJJN-HIFRSBDPSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001717952589 1180943825 /nfs/dbraw/zinc/94/38/25/1180943825.db2.gz ZQXNHGLRNRNIDN-HNNXBMFYSA-N 2 0 279.428 1.130 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001723023626 1181510423 /nfs/dbraw/zinc/51/04/23/1181510423.db2.gz TUVGUVRSBNYHDD-AWEZNQCLSA-N 2 0 299.846 1.519 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001723528973 1181584154 /nfs/dbraw/zinc/58/41/54/1181584154.db2.gz IXEDHELLLFGJJY-KBPBESRZSA-N 2 0 277.412 1.428 10 30 CDEERP C#CCC[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001724021969 1181630175 /nfs/dbraw/zinc/63/01/75/1181630175.db2.gz GQSNSKUMBBBREQ-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001724239495 1181657245 /nfs/dbraw/zinc/65/72/45/1181657245.db2.gz LZHHBGWIZQUXGU-MRXNPFEDSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001725051927 1181836422 /nfs/dbraw/zinc/83/64/22/1181836422.db2.gz DZYIMDSHXUJAFU-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001725391665 1181986474 /nfs/dbraw/zinc/98/64/74/1181986474.db2.gz UOLHAPUQWHGEMA-OWCLPIDISA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C(C)(C)C ZINC001725740342 1182117687 /nfs/dbraw/zinc/11/76/87/1182117687.db2.gz PHKBNTGHYCIHMR-BZPMIXESSA-N 2 0 288.395 1.267 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001732003031 1182719856 /nfs/dbraw/zinc/71/98/56/1182719856.db2.gz UOPVVLWKSJXQCY-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001732001684 1182720188 /nfs/dbraw/zinc/72/01/88/1182720188.db2.gz WVCYFDNBDBXCTJ-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001732165793 1182824513 /nfs/dbraw/zinc/82/45/13/1182824513.db2.gz QKNXZCJLYHMSAE-AWEZNQCLSA-N 2 0 279.428 1.580 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001733106311 1183292182 /nfs/dbraw/zinc/29/21/82/1183292182.db2.gz DNLFJYKPWRYELU-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001733355758 1183408005 /nfs/dbraw/zinc/40/80/05/1183408005.db2.gz DRZGOUSKNZQUTQ-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001733606984 1183477816 /nfs/dbraw/zinc/47/78/16/1183477816.db2.gz MPJBPRJLBOXGMP-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001734060518 1183643027 /nfs/dbraw/zinc/64/30/27/1183643027.db2.gz VRGTVIIQUMASLA-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001734126224 1183668239 /nfs/dbraw/zinc/66/82/39/1183668239.db2.gz RITWLXJVFCCOKI-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001734252110 1183704775 /nfs/dbraw/zinc/70/47/75/1183704775.db2.gz FWVLJVFKXQEZJS-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C[NH+]=C(NC1CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261970924 779833670 /nfs/dbraw/zinc/83/36/70/779833670.db2.gz MTMKFGOSVDRJTL-ZWNOBZJWSA-N 2 0 250.390 1.187 10 30 CDEERP C=CCC1([NH2+]CC(=O)NC2CC[NH+](C)CC2)CCCC1 ZINC000878954372 774042306 /nfs/dbraw/zinc/04/23/06/774042306.db2.gz VEEPYPZDDZAMAC-UHFFFAOYSA-N 2 0 279.428 1.675 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000876750684 774741622 /nfs/dbraw/zinc/74/16/22/774741622.db2.gz XXZSKSDWZLDBQW-WDEREUQCSA-N 2 0 261.797 1.303 10 30 CDEERP CC[N@@H+]1CC[C@H]([NH+](C)CCOCCC#N)[C@H](C)C1 ZINC000815071041 774837739 /nfs/dbraw/zinc/83/77/39/774837739.db2.gz DAFBHADAPMDKAZ-KGLIPLIRSA-N 2 0 253.390 1.579 10 30 CDEERP C=CC[C@H](C)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000878693529 776481438 /nfs/dbraw/zinc/48/14/38/776481438.db2.gz CHJWOCBUFIBTAZ-ZDUSSCGKSA-N 2 0 252.402 1.778 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000876720122 776785278 /nfs/dbraw/zinc/78/52/78/776785278.db2.gz CDJBAVCKVKXHPX-CQSZACIVSA-N 2 0 299.846 1.980 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000876754351 776917894 /nfs/dbraw/zinc/91/78/94/776917894.db2.gz MYSGYSALFGEGPY-VXGBXAGGSA-N 2 0 271.792 1.057 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)CCC[NH2+]1 ZINC000877451781 777063744 /nfs/dbraw/zinc/06/37/44/777063744.db2.gz QFQLSAWEYGCRNS-IIAWOOMASA-N 2 0 277.412 1.380 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000876755855 777487132 /nfs/dbraw/zinc/48/71/32/777487132.db2.gz XYLBHTZPVPJUHS-RYUDHWBXSA-N 2 0 271.792 1.151 10 30 CDEERP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000261980810 777619764 /nfs/dbraw/zinc/61/97/64/777619764.db2.gz HYZMHQOMWIBXHL-UONOGXRCSA-N 2 0 266.433 1.907 10 30 CDEERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=[NH2+])NC2CC2)C1 ZINC000066244607 777651030 /nfs/dbraw/zinc/65/10/30/777651030.db2.gz ZKSACQMQPKSFCX-RYUDHWBXSA-N 2 0 266.433 1.810 10 30 CDEERP Cc1cc(C#N)cc(C)c1CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC000921998222 777831073 /nfs/dbraw/zinc/83/10/73/777831073.db2.gz HCWLFWORKGVMFP-INIZCTEOSA-N 2 0 273.380 1.331 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000876726312 777874460 /nfs/dbraw/zinc/87/44/60/777874460.db2.gz CZZLIDRLUHXPSX-ZYHUDNBSSA-N 2 0 291.848 1.010 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000876712680 777933687 /nfs/dbraw/zinc/93/36/87/777933687.db2.gz SHMOAUKIGNNHBJ-CYBMUJFWSA-N 2 0 287.835 1.695 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000852865726 778505438 /nfs/dbraw/zinc/50/54/38/778505438.db2.gz NILGPLHXNDVQJM-INIZCTEOSA-N 2 0 289.423 1.076 10 30 CDEERP COCC[NH+]1CCC(NCc2csc(C#N)c2)CC1 ZINC000921595007 778566112 /nfs/dbraw/zinc/56/61/12/778566112.db2.gz JKMUKJRLCMYURX-UHFFFAOYSA-N 2 0 279.409 1.820 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000876536434 778734830 /nfs/dbraw/zinc/73/48/30/778734830.db2.gz ZCUKEZFEKWSUGX-GARJFASQSA-N 2 0 259.781 1.090 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000876756346 778831966 /nfs/dbraw/zinc/83/19/66/778831966.db2.gz RWFWPSJNOQPWPY-GFCCVEGCSA-N 2 0 273.808 1.447 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000876729337 780015075 /nfs/dbraw/zinc/01/50/75/780015075.db2.gz KMTCAKUYQWNCNF-QWHCGFSZSA-N 2 0 285.819 1.543 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001565900776 1168198645 /nfs/dbraw/zinc/19/86/45/1168198645.db2.gz YXPVOZYFEXICQH-BFHYXJOUSA-N 2 0 267.417 1.387 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001566739262 1168406338 /nfs/dbraw/zinc/40/63/38/1168406338.db2.gz WFLROUAHZBARSZ-JKSUJKDBSA-N 2 0 293.455 1.520 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001566785073 1168420527 /nfs/dbraw/zinc/42/05/27/1168420527.db2.gz CFRXBKWUIKHUOQ-AJNGGQMLSA-N 2 0 279.428 1.672 10 30 CDEERP C=CC[NH+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001566871676 1168453780 /nfs/dbraw/zinc/45/37/80/1168453780.db2.gz IQNZLYQZRMJECF-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001566881403 1168455694 /nfs/dbraw/zinc/45/56/94/1168455694.db2.gz ROBPXADIIPRGGF-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001272300251 912726883 /nfs/dbraw/zinc/72/68/83/912726883.db2.gz FLSXCMBAPZLQGE-HZPDHXFCSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001567239440 1168635498 /nfs/dbraw/zinc/63/54/98/1168635498.db2.gz XGXAWGSMKVBSMC-MRXNPFEDSA-N 2 0 293.455 1.760 10 30 CDEERP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001567266858 1168642971 /nfs/dbraw/zinc/64/29/71/1168642971.db2.gz QGYMPAHLLUDUIW-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001272563567 913448910 /nfs/dbraw/zinc/44/89/10/913448910.db2.gz CGMCTYHCDCMUSB-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001567451549 1168771595 /nfs/dbraw/zinc/77/15/95/1168771595.db2.gz VNNKHRDUQGJJAK-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001266734932 895943408 /nfs/dbraw/zinc/94/34/08/895943408.db2.gz CXCHCMCYUCBKDZ-ZNMIVQPWSA-N 2 0 277.412 1.121 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001266964749 896456752 /nfs/dbraw/zinc/45/67/52/896456752.db2.gz NZUYEAOUNKIWQR-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267069340 896683704 /nfs/dbraw/zinc/68/37/04/896683704.db2.gz UNHGWDMXKNUBIX-AWEZNQCLSA-N 2 0 265.401 1.096 10 30 CDEERP C=CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001480935782 897754517 /nfs/dbraw/zinc/75/45/17/897754517.db2.gz RUYATGKZSYXEOL-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001267601630 898708993 /nfs/dbraw/zinc/70/89/93/898708993.db2.gz RVACOXCPJNJFCM-INIZCTEOSA-N 2 0 295.471 1.929 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267771314 899667485 /nfs/dbraw/zinc/66/74/85/899667485.db2.gz DNXQXNVZSUFRCR-CQSZACIVSA-N 2 0 279.428 1.130 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001267820699 899810073 /nfs/dbraw/zinc/81/00/73/899810073.db2.gz HHIAVIBGABBGON-JKSUJKDBSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267827756 899823518 /nfs/dbraw/zinc/82/35/18/899823518.db2.gz XCRMBQPCYBLTRR-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001268007406 900267396 /nfs/dbraw/zinc/26/73/96/900267396.db2.gz CALFSCSWVOFNPU-HNNXBMFYSA-N 2 0 281.444 1.636 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CCCC)CC1 ZINC001268016134 900301457 /nfs/dbraw/zinc/30/14/57/900301457.db2.gz ZMSQXKJEWVEANY-HNNXBMFYSA-N 2 0 293.455 1.474 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481343080 900460382 /nfs/dbraw/zinc/46/03/82/900460382.db2.gz QQHGSTMRIHVNEM-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001567709442 1168930138 /nfs/dbraw/zinc/93/01/38/1168930138.db2.gz ORJLEMSZXOCIHX-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001342739347 901177293 /nfs/dbraw/zinc/17/72/93/901177293.db2.gz UCJYPZFQLCURSA-UKRRQHHQSA-N 2 0 265.401 1.415 10 30 CDEERP C=CCCC[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001268456984 902144170 /nfs/dbraw/zinc/14/41/70/902144170.db2.gz WEBLBXYFPXUTNZ-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001481988565 902439605 /nfs/dbraw/zinc/43/96/05/902439605.db2.gz DZPBXVUTZXQURC-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001268648537 902897569 /nfs/dbraw/zinc/89/75/69/902897569.db2.gz MHAZKJXGMQUYAA-GFCCVEGCSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CCCF)CC1 ZINC001268759599 903092138 /nfs/dbraw/zinc/09/21/38/903092138.db2.gz MQDUZLQXUFEEQD-CQSZACIVSA-N 2 0 297.418 1.128 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001268900620 903225435 /nfs/dbraw/zinc/22/54/35/903225435.db2.gz LGSANECVDYMKEZ-GOEBONIOSA-N 2 0 295.471 1.975 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001269092366 903411971 /nfs/dbraw/zinc/41/19/71/903411971.db2.gz ZSGIOHNXZDZSNI-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001269474271 903842924 /nfs/dbraw/zinc/84/29/24/903842924.db2.gz CETNYDKVXZGXON-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C=CCC[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001269943044 904225135 /nfs/dbraw/zinc/22/51/35/904225135.db2.gz GMWYIZJGNLBCOS-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001482353238 905174376 /nfs/dbraw/zinc/17/43/76/905174376.db2.gz FZTJDWISUVBPJX-STQMWFEESA-N 2 0 255.406 1.339 10 30 CDEERP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001270991322 905530888 /nfs/dbraw/zinc/53/08/88/905530888.db2.gz NQGOIKHNPPCXJD-KRWDZBQOSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001567882388 1169039409 /nfs/dbraw/zinc/03/94/09/1169039409.db2.gz ALWUHQRQQIGLFC-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001271551418 906513106 /nfs/dbraw/zinc/51/31/06/906513106.db2.gz QPAWPFRUKZRGSQ-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567914186 1169061996 /nfs/dbraw/zinc/06/19/96/1169061996.db2.gz ARFLMWKDCMKRHT-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001482603850 907858267 /nfs/dbraw/zinc/85/82/67/907858267.db2.gz VGHLSBUYLNHAKY-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP CC#CC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@H]21 ZINC001482668121 908169294 /nfs/dbraw/zinc/16/92/94/908169294.db2.gz VBGBIZPMJJWEOD-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001483848713 915109939 /nfs/dbraw/zinc/10/99/39/915109939.db2.gz ZMVPKROIYCEFIS-KRWDZBQOSA-N 2 0 291.439 1.276 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484123055 915445953 /nfs/dbraw/zinc/44/59/53/915445953.db2.gz XLCZMWASFUKLCQ-DOTOQJQBSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001484746808 916115829 /nfs/dbraw/zinc/11/58/29/916115829.db2.gz HNWUTWOUYOIUHD-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001485110344 916537660 /nfs/dbraw/zinc/53/76/60/916537660.db2.gz FPLANOYDIWRTJG-GPANFISMSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001485350749 916872128 /nfs/dbraw/zinc/87/21/28/916872128.db2.gz RBVGCLDVHOSIIA-KGLIPLIRSA-N 2 0 267.417 1.177 10 30 CDEERP C=CC[NH+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001272825907 919840452 /nfs/dbraw/zinc/84/04/52/919840452.db2.gz KULNDQLDKIPKHH-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001485893372 920553729 /nfs/dbraw/zinc/55/37/29/920553729.db2.gz JVANTZUQSMHHSO-LBPRGKRZSA-N 2 0 286.379 1.879 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001485920143 920574993 /nfs/dbraw/zinc/57/49/93/920574993.db2.gz QXFAQNQSGPZXRT-LLVKDONJSA-N 2 0 261.797 1.127 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001273561055 921017816 /nfs/dbraw/zinc/01/78/16/921017816.db2.gz UOLXGKDBAYPLHZ-HNNXBMFYSA-N 2 0 279.428 1.132 10 30 CDEERP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001491237846 936881238 /nfs/dbraw/zinc/88/12/38/936881238.db2.gz XOCYDCLWDBGPFF-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001488965740 926763335 /nfs/dbraw/zinc/76/33/35/926763335.db2.gz FCEWWDNASUXSIM-UONOGXRCSA-N 2 0 299.846 1.709 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001274841196 931589406 /nfs/dbraw/zinc/58/94/06/931589406.db2.gz PTTWQRGGOJUMLT-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001275214837 931701514 /nfs/dbraw/zinc/70/15/14/931701514.db2.gz JOIBESNKYQXPDS-LBPRGKRZSA-N 2 0 286.379 1.927 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001275816764 932061257 /nfs/dbraw/zinc/06/12/57/932061257.db2.gz MXQKIOFPXAMUDO-HOTGVXAUSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001276012746 932235701 /nfs/dbraw/zinc/23/57/01/932235701.db2.gz XSDUVBGXPJWBRK-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)C1CC[NH+](C)CC1 ZINC001276261299 932695208 /nfs/dbraw/zinc/69/52/08/932695208.db2.gz DFYSJEQIMIGMHZ-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC001118383416 937622084 /nfs/dbraw/zinc/62/20/84/937622084.db2.gz GVQJENSTLLBAED-BFHYXJOUSA-N 2 0 280.416 1.387 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001568633078 1169408444 /nfs/dbraw/zinc/40/84/44/1169408444.db2.gz XCKCKQFCRWOQHE-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@@H]1C[NH3+])C(C)C ZINC001121909237 937889197 /nfs/dbraw/zinc/88/91/97/937889197.db2.gz KFLIHDHXAPFAGI-RBSFLKMASA-N 2 0 279.428 1.396 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001122108325 937905940 /nfs/dbraw/zinc/90/59/40/937905940.db2.gz NYJKVERQOFALPM-ZIAGYGMSSA-N 2 0 267.417 1.469 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001331462911 945172739 /nfs/dbraw/zinc/17/27/39/945172739.db2.gz ZIZOLWHRDUSMCP-UONOGXRCSA-N 2 0 285.407 1.126 10 30 CDEERP CC#CC[C@@H](CO)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001206499693 940049673 /nfs/dbraw/zinc/04/96/73/940049673.db2.gz ZWKPORMXEUQWAH-CGZBRXJRSA-N 2 0 294.439 1.384 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001277093810 941943625 /nfs/dbraw/zinc/94/36/25/941943625.db2.gz AKMRGOCJZIZZMC-LSDHHAIUSA-N 2 0 289.423 1.265 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001281687106 942608604 /nfs/dbraw/zinc/60/86/04/942608604.db2.gz UGSAARJMQUKESM-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001281725710 942614134 /nfs/dbraw/zinc/61/41/34/942614134.db2.gz RNQYKJWSHRTPBG-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001284348569 943153272 /nfs/dbraw/zinc/15/32/72/943153272.db2.gz LJWZISWFEDZXAB-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264478580 944140974 /nfs/dbraw/zinc/14/09/74/944140974.db2.gz HZVXLLOFPSXJDP-ZNMIVQPWSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]2C1 ZINC001264655577 944159364 /nfs/dbraw/zinc/15/93/64/944159364.db2.gz GJPSEKDQDIJAJD-CABCVRRESA-N 2 0 279.428 1.295 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001265456218 944394685 /nfs/dbraw/zinc/39/46/85/944394685.db2.gz LCHMJTUUAQAFQU-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001265794567 944511034 /nfs/dbraw/zinc/51/10/34/944511034.db2.gz QXYLFZJGDIGVHS-UONOGXRCSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001265843914 944537663 /nfs/dbraw/zinc/53/76/63/944537663.db2.gz PBEAJOXRGQVWNG-CQSZACIVSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH+](C)CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001265923674 944576444 /nfs/dbraw/zinc/57/64/44/944576444.db2.gz USUARQPDCCHICK-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001265978904 944611089 /nfs/dbraw/zinc/61/10/89/944611089.db2.gz BDPCXWOCRMMSGB-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001266067285 944661710 /nfs/dbraw/zinc/66/17/10/944661710.db2.gz KPMJCYDKTCDSHX-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001479374662 971313471 /nfs/dbraw/zinc/31/34/71/971313471.db2.gz JJSSJAJUNHAFRH-KKUMJFAQSA-N 2 0 281.444 1.633 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001479805580 971429759 /nfs/dbraw/zinc/42/97/59/971429759.db2.gz IFLSVBRPTMIQCE-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001569141459 1169687529 /nfs/dbraw/zinc/68/75/29/1169687529.db2.gz QVLNMMZPHYJPBT-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]2C1 ZINC001325773106 954066122 /nfs/dbraw/zinc/06/61/22/954066122.db2.gz UTWCHWSTGSWOSE-IYBDPMFKSA-N 2 0 291.439 1.132 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001493334039 972018756 /nfs/dbraw/zinc/01/87/56/972018756.db2.gz LCRIXXVOZRWMTJ-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001493385086 972038113 /nfs/dbraw/zinc/03/81/13/972038113.db2.gz BDDWJLGLUHMXFM-INIZCTEOSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001492034758 955620952 /nfs/dbraw/zinc/62/09/52/955620952.db2.gz NCXMIWOSRUTMLU-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001492105690 955628914 /nfs/dbraw/zinc/62/89/14/955628914.db2.gz WTUGTRHTZCLPIM-CQSZACIVSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001493831249 972122391 /nfs/dbraw/zinc/12/23/91/972122391.db2.gz STLDVHGETFDUSK-CQSZACIVSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001317458230 956319601 /nfs/dbraw/zinc/31/96/01/956319601.db2.gz LYNYMWSHPGZGQR-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001480683573 956534809 /nfs/dbraw/zinc/53/48/09/956534809.db2.gz OQRQINQGGCBXQE-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366212947 956641048 /nfs/dbraw/zinc/64/10/48/956641048.db2.gz ZTCCEXJBCFWTGC-CQSZACIVSA-N 2 0 299.846 1.663 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001328961349 956924306 /nfs/dbraw/zinc/92/43/06/956924306.db2.gz RKBZBKUQMZLVRN-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[N@@H+](CC)CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001316907321 957112770 /nfs/dbraw/zinc/11/27/70/957112770.db2.gz MFUPBKUMAUBPHU-AWEZNQCLSA-N 2 0 267.417 1.178 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316985996 957183508 /nfs/dbraw/zinc/18/35/08/957183508.db2.gz NRWPAYMXDCCFFF-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317045813 957224040 /nfs/dbraw/zinc/22/40/40/957224040.db2.gz RLFKPBKUMVGKIZ-CVEARBPZSA-N 2 0 291.439 1.132 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317114507 957281099 /nfs/dbraw/zinc/28/10/99/957281099.db2.gz YQSMTOYODBGNBM-OKILXGFUSA-N 2 0 279.428 1.674 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001317157018 957311327 /nfs/dbraw/zinc/31/13/27/957311327.db2.gz CHDYJPASYLJLQB-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001317204729 957337655 /nfs/dbraw/zinc/33/76/55/957337655.db2.gz CYRGYQYCKIKBBR-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001331927504 957340927 /nfs/dbraw/zinc/34/09/27/957340927.db2.gz CFLJPOSAQFUPQD-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001331930325 957342828 /nfs/dbraw/zinc/34/28/28/957342828.db2.gz WHNPDTBCOXYTED-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001317266615 957392020 /nfs/dbraw/zinc/39/20/20/957392020.db2.gz SSMIFXZRRRLDMK-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCC2CC2)CC1 ZINC001317294677 957407735 /nfs/dbraw/zinc/40/77/35/957407735.db2.gz OZJOCTYBYDZPHG-AWEZNQCLSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001317527559 957531347 /nfs/dbraw/zinc/53/13/47/957531347.db2.gz MZCHBRVFZZLJIZ-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317543175 957538652 /nfs/dbraw/zinc/53/86/52/957538652.db2.gz QTGZZWJQRYMMCL-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367707985 958237690 /nfs/dbraw/zinc/23/76/90/958237690.db2.gz VLYMFLMWMRVIPB-VXGBXAGGSA-N 2 0 273.808 1.175 10 30 CDEERP C=CC[NH+]1CC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001319405231 958536947 /nfs/dbraw/zinc/53/69/47/958536947.db2.gz KCCHUKSPOJFSRM-UHFFFAOYSA-N 2 0 291.439 1.439 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001495085561 972401593 /nfs/dbraw/zinc/40/15/93/972401593.db2.gz KVLKNUWJVNXHOM-MRXNPFEDSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001495136362 972423275 /nfs/dbraw/zinc/42/32/75/972423275.db2.gz HWNWSIMYRYZYEB-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001321107620 959597512 /nfs/dbraw/zinc/59/75/12/959597512.db2.gz OYZUMVLNZINCRP-WSROAFLRSA-N 2 0 253.390 1.021 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001321703658 959913099 /nfs/dbraw/zinc/91/30/99/959913099.db2.gz XHQJNNJSOPBVOF-CYBMUJFWSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322032718 960061391 /nfs/dbraw/zinc/06/13/91/960061391.db2.gz JFOGQROGQHVKHL-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CC ZINC001323166575 960492963 /nfs/dbraw/zinc/49/29/63/960492963.db2.gz DEYDESXTTUUBGR-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001437313959 962800483 /nfs/dbraw/zinc/80/04/83/962800483.db2.gz LTHBHIPHWJFTCN-UONOGXRCSA-N 2 0 299.846 1.519 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001421449919 963612733 /nfs/dbraw/zinc/61/27/33/963612733.db2.gz MYALEHIGEPLOGJ-DGCLKSJQSA-N 2 0 287.835 1.565 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001441171736 964403297 /nfs/dbraw/zinc/40/32/97/964403297.db2.gz FXRYDZMZQLODEE-STQMWFEESA-N 2 0 285.819 1.318 10 30 CDEERP C=C(CC(C)C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001348918862 966228835 /nfs/dbraw/zinc/22/88/35/966228835.db2.gz MPSZSMYKAFEJJC-HZPDHXFCSA-N 2 0 295.471 1.787 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001480474343 967952341 /nfs/dbraw/zinc/95/23/41/967952341.db2.gz YPDDODDVSWKOEQ-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CC1 ZINC001497659703 973452532 /nfs/dbraw/zinc/45/25/32/973452532.db2.gz AOLBQRQBNPLHNR-SNAWJCMRSA-N 2 0 285.819 1.343 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001498586436 973991239 /nfs/dbraw/zinc/99/12/39/973991239.db2.gz ONEABQXKCRIWHW-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374962622 974191402 /nfs/dbraw/zinc/19/14/02/974191402.db2.gz VLYMFLMWMRVIPB-RYUDHWBXSA-N 2 0 273.808 1.175 10 30 CDEERP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001569716513 1169974031 /nfs/dbraw/zinc/97/40/31/1169974031.db2.gz SRQDICIPYAYKFY-NVXWUHKLSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001375560363 974422672 /nfs/dbraw/zinc/42/26/72/974422672.db2.gz ZKKJDYHGRRSJDT-IHRRRGAJSA-N 2 0 299.846 1.565 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001500457572 974439121 /nfs/dbraw/zinc/43/91/21/974439121.db2.gz QUSOMYWEAXDSQW-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001502968535 974804598 /nfs/dbraw/zinc/80/45/98/974804598.db2.gz MMZFKSLDMOQNOI-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001505943569 975052812 /nfs/dbraw/zinc/05/28/12/975052812.db2.gz KQQKADOKJWDQQN-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001506014905 975085508 /nfs/dbraw/zinc/08/55/08/975085508.db2.gz KUYGFYVZLDHYEJ-HOTGVXAUSA-N 2 0 293.455 1.709 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001506679622 975202057 /nfs/dbraw/zinc/20/20/57/975202057.db2.gz PLGIZLCXDYQMCH-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507153780 975356888 /nfs/dbraw/zinc/35/68/88/975356888.db2.gz JRLWSRXTUBVVDC-LBPRGKRZSA-N 2 0 273.808 1.271 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001507329563 975419197 /nfs/dbraw/zinc/41/91/97/975419197.db2.gz WAFCHPNEFXZRBL-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001507419569 975462348 /nfs/dbraw/zinc/46/23/48/975462348.db2.gz VEMJVARPJLJCEQ-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001379579893 975936576 /nfs/dbraw/zinc/93/65/76/975936576.db2.gz AKLWJOVFMLMRFJ-QWHCGFSZSA-N 2 0 287.835 1.658 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401876365 975963380 /nfs/dbraw/zinc/96/33/80/975963380.db2.gz SXVPOHOPVLYKJX-OCCSQVGLSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001380162524 976274108 /nfs/dbraw/zinc/27/41/08/976274108.db2.gz JHRFPTZORUSOFR-WXRRBKDZSA-N 2 0 287.835 1.658 10 30 CDEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001676886391 1174285592 /nfs/dbraw/zinc/28/55/92/1174285592.db2.gz JDXRWKFIHXJWBZ-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001569919409 1170036264 /nfs/dbraw/zinc/03/62/64/1170036264.db2.gz CETYXEOTWPJFGV-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001570275274 1170125360 /nfs/dbraw/zinc/12/53/60/1170125360.db2.gz TYMHGEIHEKOHPF-MRXNPFEDSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001570652365 1170222485 /nfs/dbraw/zinc/22/24/85/1170222485.db2.gz CUIZPNYCZTYDCU-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001570667353 1170226669 /nfs/dbraw/zinc/22/66/69/1170226669.db2.gz FKFXKLRKIRWWJE-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001570825624 1170290711 /nfs/dbraw/zinc/29/07/11/1170290711.db2.gz WBMFXLCIUFVOFG-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001571182173 1170344663 /nfs/dbraw/zinc/34/46/63/1170344663.db2.gz YJALQTBMNGTUDP-YHUYYLMFSA-N 2 0 291.439 1.224 10 30 CDEERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000593915009 342856455 /nfs/dbraw/zinc/85/64/55/342856455.db2.gz SUWTZEHJWZOCMQ-CQSZACIVSA-N 2 0 274.368 1.043 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000594438895 342906402 /nfs/dbraw/zinc/90/64/02/342906402.db2.gz QOBPGQUKPQKWSO-UONOGXRCSA-N 2 0 278.400 1.094 10 30 CDEERP CC[C@H]([NH2+]CCOCCC[NH3+])c1ccc(C#N)cc1 ZINC000600708316 342243226 /nfs/dbraw/zinc/24/32/26/342243226.db2.gz FQNFTNPBMPEEJJ-HNNXBMFYSA-N 2 0 261.369 1.964 10 30 CDEERP C=C(C)C[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001660372035 1172204946 /nfs/dbraw/zinc/20/49/46/1172204946.db2.gz LDSITABPGNASMP-AWEZNQCLSA-N 2 0 269.433 1.587 10 30 CDEERP C=CCOc1ccc(CN2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000520230362 361448217 /nfs/dbraw/zinc/44/82/17/361448217.db2.gz MFADGGSILWJFKC-OAHLLOKOSA-N 2 0 275.396 1.326 10 30 CDEERP CC[N@H+](CCO)CCNc1cc(C)nc(C)c1C#N ZINC000302216166 373943661 /nfs/dbraw/zinc/94/36/61/373943661.db2.gz IFNNUXDVLLEIAZ-UHFFFAOYSA-N 2 0 262.357 1.296 10 30 CDEERP C[C@@H]1CN(C)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358182563 373945406 /nfs/dbraw/zinc/94/54/06/373945406.db2.gz COLARZJORUPLLC-IUODEOHRSA-N 2 0 259.353 1.477 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001662829345 1172600252 /nfs/dbraw/zinc/60/02/52/1172600252.db2.gz YJSFLVFTLIJBBA-CABCVRRESA-N 2 0 277.412 1.027 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001663537028 1172719036 /nfs/dbraw/zinc/71/90/36/1172719036.db2.gz JDKZOIXCLHGANG-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001664009458 1172800088 /nfs/dbraw/zinc/80/00/88/1172800088.db2.gz YLLSQECFHLTBKH-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001664687161 1172885879 /nfs/dbraw/zinc/88/58/79/1172885879.db2.gz PYQGIRUTADUYQS-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000662769954 413467636 /nfs/dbraw/zinc/46/76/36/413467636.db2.gz MCYUWFVNDLQBJV-OUCADQQQSA-N 2 0 251.374 1.071 10 30 CDEERP C=C(C)CCNC(=O)NCCN(C)CCC[NH+](C)C ZINC000665019600 413792545 /nfs/dbraw/zinc/79/25/45/413792545.db2.gz DSAXUBRKAFINPJ-UHFFFAOYSA-N 2 0 270.421 1.135 10 30 CDEERP N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044531165 175196231 /nfs/dbraw/zinc/19/62/31/175196231.db2.gz JOTWWMYYIXKYJC-AWEZNQCLSA-N 2 0 286.379 1.558 10 30 CDEERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccccc1C#CC[NH3+] ZINC000071192977 176074807 /nfs/dbraw/zinc/07/48/07/176074807.db2.gz WTNGJFNZVWLFEW-AWEZNQCLSA-N 2 0 285.391 1.021 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662855273 424529476 /nfs/dbraw/zinc/52/94/76/424529476.db2.gz WCKAWTUAKUYEIC-XJKSGUPXSA-N 2 0 279.428 1.674 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001669482665 1173555667 /nfs/dbraw/zinc/55/56/67/1173555667.db2.gz NLRFQWSDNRFPPZ-CYBMUJFWSA-N 2 0 273.380 1.089 10 30 CDEERP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001671648427 1173700189 /nfs/dbraw/zinc/70/01/89/1173700189.db2.gz HHTJWKZXBSLFLP-HOCLYGCPSA-N 2 0 297.418 1.270 10 30 CDEERP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001672353913 1173768080 /nfs/dbraw/zinc/76/80/80/1173768080.db2.gz ZTAMSDSKGNQPPW-MUJYYYPQSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001672531460 1173782407 /nfs/dbraw/zinc/78/24/07/1173782407.db2.gz VDEKAFLQXVYEFE-CABCVRRESA-N 2 0 291.439 1.580 10 30 CDEERP C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000262427181 330009781 /nfs/dbraw/zinc/00/97/81/330009781.db2.gz CZCACYIHYOONCJ-MELADBBJSA-N 2 0 282.432 1.285 10 30 CDEERP C[NH+]=C(NC1CCC1)NC1CC[NH+](CC(C)C)CC1 ZINC000262803402 330032736 /nfs/dbraw/zinc/03/27/36/330032736.db2.gz RTVAWRZTBJENEZ-UHFFFAOYSA-N 2 0 266.433 1.824 10 30 CDEERP C[NH+]=C(NC1CCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000262807226 330033058 /nfs/dbraw/zinc/03/30/58/330033058.db2.gz TXAUSUPVVURREW-ZDUSSCGKSA-N 2 0 294.443 1.205 10 30 CDEERP [NH2+]=C(NC[C@@H]1CCCO1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000262845612 330035211 /nfs/dbraw/zinc/03/52/11/330035211.db2.gz RRHZMMBHHNJYNC-KGLIPLIRSA-N 2 0 280.416 1.087 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001731558447 1159302734 /nfs/dbraw/zinc/30/27/34/1159302734.db2.gz KHSIZNXFDQCAKD-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001268414037 1159932620 /nfs/dbraw/zinc/93/26/20/1159932620.db2.gz QCOCUNQLHBIISO-KGLIPLIRSA-N 2 0 269.433 1.633 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482102234 1159981174 /nfs/dbraw/zinc/98/11/74/1159981174.db2.gz RJYPKORGJUWEEZ-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001691528048 1160360597 /nfs/dbraw/zinc/36/05/97/1160360597.db2.gz GCCWWWSFHWOTQQ-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001715948959 1179936256 /nfs/dbraw/zinc/93/62/56/1179936256.db2.gz JQNMAWSBZUHCLN-CYBMUJFWSA-N 2 0 267.417 1.082 10 30 CDEERP CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000049232185 519814326 /nfs/dbraw/zinc/81/43/26/519814326.db2.gz VVUVFUZIHOZFAM-INIZCTEOSA-N 2 0 287.407 1.313 10 30 CDEERP CCN[C@@](C#N)(CN1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000069079737 520126954 /nfs/dbraw/zinc/12/69/54/520126954.db2.gz PWGMNSVXQSTHKS-INIZCTEOSA-N 2 0 278.444 1.542 10 30 CDEERP CCCC[N@H+](CCO)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609650 520523305 /nfs/dbraw/zinc/52/33/05/520523305.db2.gz JRCUYUSBVDJCQB-UHFFFAOYSA-N 2 0 278.371 1.730 10 30 CDEERP CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#CC[NH3+])s2)C1 ZINC000049232063 521622697 /nfs/dbraw/zinc/62/26/97/521622697.db2.gz LGMYORDXKHVZHD-GFCCVEGCSA-N 2 0 291.420 1.272 10 30 CDEERP CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C#CC[NH3+])c2)C1 ZINC000049232056 521648754 /nfs/dbraw/zinc/64/87/54/521648754.db2.gz SGPGTGVPJRUXHK-INIZCTEOSA-N 2 0 285.391 1.211 10 30 CDEERP C[N@@H+](Cc1ccccc1C#CC[NH3+])C[C@@H]1CCCCO1 ZINC000049609521 523357887 /nfs/dbraw/zinc/35/78/87/523357887.db2.gz YBAZDOAYQMAPMV-KRWDZBQOSA-N 2 0 272.392 1.998 10 30 CDEERP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCCC[C@@H]1CO ZINC000049609781 523512784 /nfs/dbraw/zinc/51/27/84/523512784.db2.gz FRHQBFSYPQYDIF-MRXNPFEDSA-N 2 0 288.391 1.352 10 30 CDEERP [NH3+]CC#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1CCO ZINC000049608685 527147540 /nfs/dbraw/zinc/14/75/40/527147540.db2.gz NIDRCUMKVYHNGQ-KRWDZBQOSA-N 2 0 290.382 1.873 10 30 CDEERP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001688967482 1175077515 /nfs/dbraw/zinc/07/75/15/1175077515.db2.gz WETSQHHTGBNBHU-XHSDSOJGSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000907963224 627929162 /nfs/dbraw/zinc/92/91/62/627929162.db2.gz GTQXEGCSQKVKKC-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000934473514 617599162 /nfs/dbraw/zinc/59/91/62/617599162.db2.gz YUXCVHSHVICTDE-KBPBESRZSA-N 2 0 265.401 1.189 10 30 CDEERP CC[NH+]=C(NCc1c(C)noc1C)NC[C@H]1CCC[N@@H+]1C ZINC000157584662 618003697 /nfs/dbraw/zinc/00/36/97/618003697.db2.gz KXFBYOAFQDFICG-CYBMUJFWSA-N 2 0 293.415 1.441 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000900693833 623351832 /nfs/dbraw/zinc/35/18/32/623351832.db2.gz DGLUEDOGJZFWJS-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)CCCC[NH+](C)C ZINC000900770664 623458579 /nfs/dbraw/zinc/45/85/79/623458579.db2.gz YIUGILYFMXKZPM-UHFFFAOYSA-N 2 0 255.406 1.295 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000901204325 623997771 /nfs/dbraw/zinc/99/77/71/623997771.db2.gz WSMQXKCIPVLMFY-INIZCTEOSA-N 2 0 293.455 1.685 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001691374209 1159042358 /nfs/dbraw/zinc/04/23/58/1159042358.db2.gz QWERTTZXCOGWQF-UHFFFAOYSA-N 2 0 284.363 1.328 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001691352435 1159032338 /nfs/dbraw/zinc/03/23/38/1159032338.db2.gz WKHJRPQHAXAXDW-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001691482087 1159377099 /nfs/dbraw/zinc/37/70/99/1159377099.db2.gz ZKRVOTSRVZAZCD-NMWPEEMBSA-N 2 0 279.428 1.530 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001670793911 1159858018 /nfs/dbraw/zinc/85/80/18/1159858018.db2.gz ZHXKJEGUBMRMGF-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001268541698 1159966611 /nfs/dbraw/zinc/96/66/11/1159966611.db2.gz HQYMQGQDJBOGNI-HYLRALAJSA-N 2 0 265.401 1.165 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001483175927 1160780962 /nfs/dbraw/zinc/78/09/62/1160780962.db2.gz XSQMWHBZSKBWON-VXGBXAGGSA-N 2 0 264.373 1.259 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273010578 1161476639 /nfs/dbraw/zinc/47/66/39/1161476639.db2.gz PIUXNIOAIINCOL-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001618273109 1165627434 /nfs/dbraw/zinc/62/74/34/1165627434.db2.gz HONOFPJJFILVQA-STQMWFEESA-N 2 0 253.390 1.045 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001566813937 1168431965 /nfs/dbraw/zinc/43/19/65/1168431965.db2.gz SINZNIGWSNINHO-SHTZXODSSA-N 2 0 277.412 1.123 10 30 CDEERP C#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001566827375 1168434737 /nfs/dbraw/zinc/43/47/37/1168434737.db2.gz QRCMSZZLTMMLFG-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001566939648 1168475531 /nfs/dbraw/zinc/47/55/31/1168475531.db2.gz IVBLZBCRQJKHTL-OAHLLOKOSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001568185556 1169167147 /nfs/dbraw/zinc/16/71/47/1169167147.db2.gz UUQIKQXAANVWDR-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC001568640830 1169411159 /nfs/dbraw/zinc/41/11/59/1169411159.db2.gz KBBYISUGDLMWJE-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001571417322 1170420652 /nfs/dbraw/zinc/42/06/52/1170420652.db2.gz APYZGSMZHQNRIF-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001662791077 1172595598 /nfs/dbraw/zinc/59/55/98/1172595598.db2.gz NNECISDLLZAYOB-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001666378819 1173131030 /nfs/dbraw/zinc/13/10/30/1173131030.db2.gz FOXWFIOYABKFNV-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001669838303 1173617501 /nfs/dbraw/zinc/61/75/01/1173617501.db2.gz KTWDHRIVSBBGCB-CYBMUJFWSA-N 2 0 298.390 1.716 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001676966553 1174301691 /nfs/dbraw/zinc/30/16/91/1174301691.db2.gz ZNMIUDANGDJFGY-HOTGVXAUSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001690288728 1175426396 /nfs/dbraw/zinc/42/63/96/1175426396.db2.gz HVWHKYKSIPLJJF-HDJSIYSDSA-N 2 0 265.401 1.141 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001691917464 1175651545 /nfs/dbraw/zinc/65/15/45/1175651545.db2.gz HTJMNESWNSYNTD-OWCLPIDISA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001698914740 1175983620 /nfs/dbraw/zinc/98/36/20/1175983620.db2.gz QHWTTZCFTKXJBB-BZUAXINKSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001698920956 1175984928 /nfs/dbraw/zinc/98/49/28/1175984928.db2.gz QQJIWHBJPSJFHF-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001698969028 1176000240 /nfs/dbraw/zinc/00/02/40/1176000240.db2.gz VHFQPBNQNKBAGC-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001699018558 1176044242 /nfs/dbraw/zinc/04/42/42/1176044242.db2.gz KLBPKADUXULZKX-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001699024066 1176047436 /nfs/dbraw/zinc/04/74/36/1176047436.db2.gz QERBMUQSMDGMDT-GOEBONIOSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001699188844 1176132845 /nfs/dbraw/zinc/13/28/45/1176132845.db2.gz RGKMLNUTBGLISK-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001699681812 1176567159 /nfs/dbraw/zinc/56/71/59/1176567159.db2.gz BBHLRWACNPOMPR-KGLIPLIRSA-N 2 0 265.401 1.189 10 30 CDEERP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001699972688 1176703700 /nfs/dbraw/zinc/70/37/00/1176703700.db2.gz MRLGJWHBMKSXPP-LSDHHAIUSA-N 2 0 281.444 1.588 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001700428991 1176924597 /nfs/dbraw/zinc/92/45/97/1176924597.db2.gz BQUZLKSOEDOLDJ-CVEARBPZSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001700695373 1177080572 /nfs/dbraw/zinc/08/05/72/1177080572.db2.gz GGCBWCOGHVTXOT-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001700762083 1177118787 /nfs/dbraw/zinc/11/87/87/1177118787.db2.gz TYCYZDVVTPRPSU-GFCCVEGCSA-N 2 0 284.363 1.326 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C(C)(C)C ZINC001700989422 1177228479 /nfs/dbraw/zinc/22/84/79/1177228479.db2.gz YUAHHNZVIVHKHJ-AWEZNQCLSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001701025902 1177245758 /nfs/dbraw/zinc/24/57/58/1177245758.db2.gz DCQKLYGPWVKBLT-UHFFFAOYSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001713037949 1178322702 /nfs/dbraw/zinc/32/27/02/1178322702.db2.gz QWQWDJXHBGUGEJ-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001713121667 1178379863 /nfs/dbraw/zinc/37/98/63/1178379863.db2.gz MIWWWUGXOKUSCE-GDBMZVCRSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713414115 1178547291 /nfs/dbraw/zinc/54/72/91/1178547291.db2.gz PFHMSYAFGGLPNL-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001713418821 1178550093 /nfs/dbraw/zinc/55/00/93/1178550093.db2.gz KKQXAMZJCYAFTI-HUUCEWRRSA-N 2 0 279.428 1.367 10 30 CDEERP C=CCC[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001713517859 1178620786 /nfs/dbraw/zinc/62/07/86/1178620786.db2.gz SADOXJCQCDFZAB-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001713683416 1178708090 /nfs/dbraw/zinc/70/80/90/1178708090.db2.gz WMTZGZNJLXKOJU-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001714004858 1178923796 /nfs/dbraw/zinc/92/37/96/1178923796.db2.gz XGLABXCGLQNAEO-UONOGXRCSA-N 2 0 285.407 1.385 10 30 CDEERP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001714110408 1178977193 /nfs/dbraw/zinc/97/71/93/1178977193.db2.gz CXCLBNCPNNGALN-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714121849 1178982822 /nfs/dbraw/zinc/98/28/22/1178982822.db2.gz CRPZRGDNAKDKDR-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714261396 1179052772 /nfs/dbraw/zinc/05/27/72/1179052772.db2.gz HOVLWPBOYAXNIU-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001714417231 1179130123 /nfs/dbraw/zinc/13/01/23/1179130123.db2.gz JQIGJUZRTNAIQL-HUUCEWRRSA-N 2 0 279.428 1.675 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714444024 1179142175 /nfs/dbraw/zinc/14/21/75/1179142175.db2.gz KHFKQHFAQBGNPH-HUUCEWRRSA-N 2 0 281.444 1.636 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001714646053 1179293600 /nfs/dbraw/zinc/29/36/00/1179293600.db2.gz OBBNTEAAXUIYCT-KGLIPLIRSA-N 2 0 290.411 1.603 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001714677429 1179318973 /nfs/dbraw/zinc/31/89/73/1179318973.db2.gz TUQLHVJXOLUCEF-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)CC[NH+](C)C ZINC001714754112 1179377566 /nfs/dbraw/zinc/37/75/66/1179377566.db2.gz YEVCLPYRBALXEM-UHFFFAOYSA-N 2 0 294.424 1.119 10 30 CDEERP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)CCC[NH+](C)C)C1 ZINC001714873229 1179432539 /nfs/dbraw/zinc/43/25/39/1179432539.db2.gz VVEPJJSBRLDPPF-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001714983353 1179489486 /nfs/dbraw/zinc/48/94/86/1179489486.db2.gz XSMXJLFAMGOWGF-KBPBESRZSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001715236000 1179590074 /nfs/dbraw/zinc/59/00/74/1179590074.db2.gz ORNAPBYYJFLQLI-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001715537036 1179707865 /nfs/dbraw/zinc/70/78/65/1179707865.db2.gz NQRSQNCMVOYSOU-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001716073658 1180031272 /nfs/dbraw/zinc/03/12/72/1180031272.db2.gz PBNXYJGAIOLFFR-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001716311068 1180150491 /nfs/dbraw/zinc/15/04/91/1180150491.db2.gz LCMPYZRLQZGFSO-DSYXLKISSA-N 2 0 285.819 1.485 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001716443856 1180212993 /nfs/dbraw/zinc/21/29/93/1180212993.db2.gz NFDOMWJFQXLGNY-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001716636157 1180316876 /nfs/dbraw/zinc/31/68/76/1180316876.db2.gz IBFBGRRNVRZOBL-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001716852361 1180440719 /nfs/dbraw/zinc/44/07/19/1180440719.db2.gz DHQWSAFVJRAHQC-INIZCTEOSA-N 2 0 279.428 1.629 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001716876472 1180450554 /nfs/dbraw/zinc/45/05/54/1180450554.db2.gz RQJHLCDQXJYLKZ-QGZVFWFLSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001716888905 1180455450 /nfs/dbraw/zinc/45/54/50/1180455450.db2.gz OREYVVLUUKDPJI-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCC1 ZINC001717153249 1180550973 /nfs/dbraw/zinc/55/09/73/1180550973.db2.gz OGGXTEDMHBKFAM-LSDHHAIUSA-N 2 0 289.423 1.265 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001717367339 1180631616 /nfs/dbraw/zinc/63/16/16/1180631616.db2.gz IJXKDWDAZKFAOE-LSDHHAIUSA-N 2 0 277.412 1.027 10 30 CDEERP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001717496597 1180709941 /nfs/dbraw/zinc/70/99/41/1180709941.db2.gz MOXQFBSIXFKINJ-RDJZCZTQSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001717495800 1180710775 /nfs/dbraw/zinc/71/07/75/1180710775.db2.gz ZGCOMMFLASNWDI-CQSZACIVSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001717589105 1180750981 /nfs/dbraw/zinc/75/09/81/1180750981.db2.gz LZQJVDDNNBGTPV-AWEZNQCLSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001717971457 1180952933 /nfs/dbraw/zinc/95/29/33/1180952933.db2.gz LHCZWXRSJQQHOV-ZDUSSCGKSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001723024119 1181511694 /nfs/dbraw/zinc/51/16/94/1181511694.db2.gz ZAYQRAJLJGRNBQ-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001723863571 1181612869 /nfs/dbraw/zinc/61/28/69/1181612869.db2.gz VLPNVJJDMKUKTP-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001724185498 1181650251 /nfs/dbraw/zinc/65/02/51/1181650251.db2.gz ZHRQPDGDEANXGP-INIZCTEOSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001725060252 1181832722 /nfs/dbraw/zinc/83/27/22/1181832722.db2.gz SPNDDGLZQJOAFX-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001725234150 1181930843 /nfs/dbraw/zinc/93/08/43/1181930843.db2.gz LPRWEHDNHSONTH-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001725663127 1182090898 /nfs/dbraw/zinc/09/08/98/1182090898.db2.gz SNIQXTMFHQERAI-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001725662757 1182090925 /nfs/dbraw/zinc/09/09/25/1182090925.db2.gz QVESYSCIAAHTLC-CVEARBPZSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001725746146 1182120150 /nfs/dbraw/zinc/12/01/50/1182120150.db2.gz NDXPYNWSZZNRPM-HUUCEWRRSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001731374117 1182342976 /nfs/dbraw/zinc/34/29/76/1182342976.db2.gz FKZNEYKLPLRRAP-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001731542243 1182442070 /nfs/dbraw/zinc/44/20/70/1182442070.db2.gz MNPDIMCHGLHJCM-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001731987903 1182716170 /nfs/dbraw/zinc/71/61/70/1182716170.db2.gz OFRUJWNHAOBRRM-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001731987458 1182716522 /nfs/dbraw/zinc/71/65/22/1182716522.db2.gz HKQGTROTAMCMGE-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001732217107 1182863907 /nfs/dbraw/zinc/86/39/07/1182863907.db2.gz JYIGCMIEPZFOAC-HOCLYGCPSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732221943 1182867610 /nfs/dbraw/zinc/86/76/10/1182867610.db2.gz ILLGOZKQRJXJNB-CVEARBPZSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001732349143 1182919991 /nfs/dbraw/zinc/91/99/91/1182919991.db2.gz NYDGAGGVRVENMW-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001732350177 1182921495 /nfs/dbraw/zinc/92/14/95/1182921495.db2.gz NYOUXZHIAHDPIT-CYBMUJFWSA-N 2 0 298.390 1.622 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001732533458 1182999263 /nfs/dbraw/zinc/99/92/63/1182999263.db2.gz SDKCESBQSSZXAY-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001732574329 1183018150 /nfs/dbraw/zinc/01/81/50/1183018150.db2.gz VYXBNFRNUURGHV-AWEZNQCLSA-N 2 0 267.417 1.080 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001732630294 1183057051 /nfs/dbraw/zinc/05/70/51/1183057051.db2.gz ZJXSZYXBSHMUGT-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001732810406 1183133206 /nfs/dbraw/zinc/13/32/06/1183133206.db2.gz BTPHAKJATQMLED-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001732885181 1183169737 /nfs/dbraw/zinc/16/97/37/1183169737.db2.gz GJVJYBJPBAKZFG-WAYWQWQTSA-N 2 0 279.428 1.699 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001733040890 1183259003 /nfs/dbraw/zinc/25/90/03/1183259003.db2.gz KOZGYFZNXUILLT-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001733524815 1183456245 /nfs/dbraw/zinc/45/62/45/1183456245.db2.gz AATGGTSGRGTGIQ-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001733695568 1183497553 /nfs/dbraw/zinc/49/75/53/1183497553.db2.gz ICIIFWVDELPKOQ-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001734299937 1183719021 /nfs/dbraw/zinc/71/90/21/1183719021.db2.gz GKEWAMSPSUJXGX-CVEARBPZSA-N 2 0 293.455 1.872 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001734425761 1183774878 /nfs/dbraw/zinc/77/48/78/1183774878.db2.gz NTMPNRNMYXQPEX-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001321350690 959738531 /nfs/dbraw/zinc/73/85/31/959738531.db2.gz OYZUMVLNZINCRP-MEJMFZKBSA-N 2 0 253.390 1.021 10 30 CDEERP C[C@@H](CNC(=[NH2+])NC1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000303886803 782552959 /nfs/dbraw/zinc/55/29/59/782552959.db2.gz NZXRUYMHFYDIRR-AWEZNQCLSA-N 2 0 295.475 1.107 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+](C)CCCC ZINC000876881377 782741776 /nfs/dbraw/zinc/74/17/76/782741776.db2.gz GJTQDJFSPZCCNB-RYUDHWBXSA-N 2 0 275.824 1.693 10 30 CDEERP C[C@@H]1CCCN(C(=[NH2+])NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000261980809 782793146 /nfs/dbraw/zinc/79/31/46/782793146.db2.gz HYZMHQOMWIBXHL-KGLIPLIRSA-N 2 0 266.433 1.907 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000876733009 1165904148 /nfs/dbraw/zinc/90/41/48/1165904148.db2.gz LXCFQAQKWCKMDD-WDEREUQCSA-N 2 0 261.797 1.303 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H](C)C2CC[NH2+]CC2)CCC[NH2+]1 ZINC000877253892 783088465 /nfs/dbraw/zinc/08/84/65/783088465.db2.gz IMDIYZZZKAXSQY-IUODEOHRSA-N 2 0 265.401 1.189 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCCC1 ZINC000877205384 780309328 /nfs/dbraw/zinc/30/93/28/780309328.db2.gz GMOJXGGFNPWSBE-JTQLQIEISA-N 2 0 259.781 1.234 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923260535 780724385 /nfs/dbraw/zinc/72/43/85/780724385.db2.gz YBHAZNYJFWIFLI-KGLIPLIRSA-N 2 0 265.401 1.189 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000922517659 780730622 /nfs/dbraw/zinc/73/06/22/780730622.db2.gz OXTOEVGPNDXHJS-AWEZNQCLSA-N 2 0 294.443 1.112 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877339241 780959772 /nfs/dbraw/zinc/95/97/72/780959772.db2.gz WBVGIFKXJNFABS-UONOGXRCSA-N 2 0 293.798 1.287 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000877146545 781265841 /nfs/dbraw/zinc/26/58/41/781265841.db2.gz JORCZJORDWUINC-CYBMUJFWSA-N 2 0 299.846 1.933 10 30 CDEERP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NCCc1ccccc1 ZINC000303870324 781710049 /nfs/dbraw/zinc/71/00/49/781710049.db2.gz BFIOBFHRQRNHQB-CQSZACIVSA-N 2 0 276.428 1.864 10 30 CDEERP CCNC(NC[C@@H]1CC[N@@H+]1C1CCCC1)=[NH+]CC ZINC000864355962 783366340 /nfs/dbraw/zinc/36/63/40/783366340.db2.gz LPAVRDOFICRTRB-ZDUSSCGKSA-N 2 0 252.406 1.578 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000876794455 783498069 /nfs/dbraw/zinc/49/80/69/783498069.db2.gz WDRYYIQQSBQMHK-ZYHUDNBSSA-N 2 0 294.786 1.306 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001691743037 1166888096 /nfs/dbraw/zinc/88/80/96/1166888096.db2.gz TYGCXBBJHQGFPI-SOUVJXGZSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001671142681 1167301920 /nfs/dbraw/zinc/30/19/20/1167301920.db2.gz YRBAPVZSZOUZOF-AWEZNQCLSA-N 2 0 293.455 1.968 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001565839587 1168180968 /nfs/dbraw/zinc/18/09/68/1168180968.db2.gz JLUZRWNSLNYDGG-QLFBSQMISA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001566665254 1168377466 /nfs/dbraw/zinc/37/74/66/1168377466.db2.gz PAPYHEACGXEIRV-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001566682547 1168387051 /nfs/dbraw/zinc/38/70/51/1168387051.db2.gz DEJNHSDOXCIUGJ-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001266280618 894083696 /nfs/dbraw/zinc/08/36/96/894083696.db2.gz MCTZRIMCWMMFSA-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001266793112 896058378 /nfs/dbraw/zinc/05/83/78/896058378.db2.gz HCUHOMUXRKYOKK-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001266816770 896112186 /nfs/dbraw/zinc/11/21/86/896112186.db2.gz JEWXQHVFHBTNHP-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001267015914 896569112 /nfs/dbraw/zinc/56/91/12/896569112.db2.gz YIKSBNCPTRUVQM-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267018819 896575415 /nfs/dbraw/zinc/57/54/15/896575415.db2.gz NNIRADFRPQMRCY-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267069941 896685035 /nfs/dbraw/zinc/68/50/35/896685035.db2.gz GMUZVQIKXNRRHL-HNNXBMFYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001267134695 896890686 /nfs/dbraw/zinc/89/06/86/896890686.db2.gz WTZUIHYCEAJEFQ-LBPRGKRZSA-N 2 0 286.379 1.927 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001267217060 897181333 /nfs/dbraw/zinc/18/13/33/897181333.db2.gz WWFBLSRGHYGNCP-GOEBONIOSA-N 2 0 295.471 1.975 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001483952032 915235908 /nfs/dbraw/zinc/23/59/08/915235908.db2.gz PEWLFJDHQRYPOE-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001481000451 898455141 /nfs/dbraw/zinc/45/51/41/898455141.db2.gz ZHOJQEYRWKIHFJ-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001283668312 898479641 /nfs/dbraw/zinc/47/96/41/898479641.db2.gz ZUCGCHYFOFSVTE-KKUMJFAQSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267578967 898510346 /nfs/dbraw/zinc/51/03/46/898510346.db2.gz ASUQCLUTIUBGFV-KBPBESRZSA-N 2 0 265.401 1.047 10 30 CDEERP CC#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001267600327 898695300 /nfs/dbraw/zinc/69/53/00/898695300.db2.gz OXXZKVZTONKUGM-MRXNPFEDSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001267953426 900051577 /nfs/dbraw/zinc/05/15/77/900051577.db2.gz MWGDWWAGMTVQIS-ZIAGYGMSSA-N 2 0 265.401 1.237 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567743142 1168945470 /nfs/dbraw/zinc/94/54/70/1168945470.db2.gz VUSRRPGJYLAWLA-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001268253064 901673969 /nfs/dbraw/zinc/67/39/69/901673969.db2.gz JXTQFCCIQBLQQS-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001268286402 901748121 /nfs/dbraw/zinc/74/81/21/901748121.db2.gz KFPNXMSZRIGYDV-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001483761812 914624937 /nfs/dbraw/zinc/62/49/37/914624937.db2.gz JCROLINRUWNMHE-KBPBESRZSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001268837812 903169527 /nfs/dbraw/zinc/16/95/27/903169527.db2.gz HKHWURXPDNPUBS-AWEZNQCLSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CN1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001269350473 903726446 /nfs/dbraw/zinc/72/64/46/903726446.db2.gz IZEVQJXSKZJQSR-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CCN1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001567840834 1169009618 /nfs/dbraw/zinc/00/96/18/1169009618.db2.gz HANCWTOPXHXQRR-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH+]1CC[C@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001270624023 904831970 /nfs/dbraw/zinc/83/19/70/904831970.db2.gz MLEXOBQUJCCWMX-HOCLYGCPSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001270791970 905041154 /nfs/dbraw/zinc/04/11/54/905041154.db2.gz TZINSWFBQCXVBB-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001271676578 906586848 /nfs/dbraw/zinc/58/68/48/906586848.db2.gz JADCJSPRCKKTSC-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001482500194 906677553 /nfs/dbraw/zinc/67/75/53/906677553.db2.gz STXNXGPUUBHXOU-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001271729433 906682639 /nfs/dbraw/zinc/68/26/39/906682639.db2.gz XMMNKRKKXPYKPV-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001482535903 906913070 /nfs/dbraw/zinc/91/30/70/906913070.db2.gz HOEHADFNNAPREK-KGLIPLIRSA-N 2 0 269.433 1.489 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001272055086 907781006 /nfs/dbraw/zinc/78/10/06/907781006.db2.gz HGUUQCHNYCHTHB-UHFFFAOYSA-N 2 0 298.390 1.670 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001482678857 908247971 /nfs/dbraw/zinc/24/79/71/908247971.db2.gz MOVMZJGKOFLRHE-CABCVRRESA-N 2 0 291.439 1.369 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483129713 909714047 /nfs/dbraw/zinc/71/40/47/909714047.db2.gz YVLKJFRTMVCOLN-DGCLKSJQSA-N 2 0 285.819 1.175 10 30 CDEERP C#CCC[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001568034403 1169124623 /nfs/dbraw/zinc/12/46/23/1169124623.db2.gz QQXTWQXJIIIIBW-INIZCTEOSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001483266640 910758028 /nfs/dbraw/zinc/75/80/28/910758028.db2.gz QRJVDXWNNMWFCD-ZDUSSCGKSA-N 2 0 267.417 1.082 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483492606 911188872 /nfs/dbraw/zinc/18/88/72/911188872.db2.gz HKGWJWPDKZNIOQ-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001483584283 911293864 /nfs/dbraw/zinc/29/38/64/911293864.db2.gz WLNDLXMQWQFLTC-JKSUJKDBSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001483794161 915071828 /nfs/dbraw/zinc/07/18/28/915071828.db2.gz PWKIEUFBGBPOKW-OKILXGFUSA-N 2 0 279.428 1.674 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484523493 915852796 /nfs/dbraw/zinc/85/27/96/915852796.db2.gz AHZPGNOKGUPGBP-CVEARBPZSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001484654715 915999557 /nfs/dbraw/zinc/99/95/57/915999557.db2.gz VQNURXNKRIAXPV-GJZGRUSLSA-N 2 0 291.439 1.818 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001568190503 1169169577 /nfs/dbraw/zinc/16/95/77/1169169577.db2.gz KMSBCUWBEJBPQM-AWEZNQCLSA-N 2 0 281.444 1.636 10 30 CDEERP C[N@H+](CCNC(=[NH2+])NC(C)(C)C)C1CCCCC1 ZINC000303894521 935047404 /nfs/dbraw/zinc/04/74/04/935047404.db2.gz OYUAYISOAHIJAE-UHFFFAOYSA-N 2 0 254.422 1.954 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001485076931 916475092 /nfs/dbraw/zinc/47/50/92/916475092.db2.gz LNJBSWSUCGGEHG-CVEARBPZSA-N 2 0 293.455 1.519 10 30 CDEERP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001485318218 916809249 /nfs/dbraw/zinc/80/92/49/916809249.db2.gz GEAZUBMCGADANY-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001272837887 919893963 /nfs/dbraw/zinc/89/39/63/919893963.db2.gz MXCQKLXFCVEDNM-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001485922147 920577775 /nfs/dbraw/zinc/57/77/75/920577775.db2.gz HIINYVWPNZBJRE-AWEZNQCLSA-N 2 0 283.460 1.977 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001486127938 920758935 /nfs/dbraw/zinc/75/89/35/920758935.db2.gz HZOXOYOOYGBMGE-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001568303605 1169234063 /nfs/dbraw/zinc/23/40/63/1169234063.db2.gz BMXNYOGDHYBVCO-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001491073244 936852085 /nfs/dbraw/zinc/85/20/85/936852085.db2.gz HWXSMMDYUPGMPQ-HZSPNIEDSA-N 2 0 267.417 1.386 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491189238 936871245 /nfs/dbraw/zinc/87/12/45/936871245.db2.gz ZIZZGWQFKOEGIT-HOTGVXAUSA-N 2 0 293.455 1.424 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001568369492 1169263123 /nfs/dbraw/zinc/26/31/23/1169263123.db2.gz KEALBNMBDVUPOD-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001488804875 926696696 /nfs/dbraw/zinc/69/66/96/926696696.db2.gz MVXUJCLZYRGYNO-YHUYYLMFSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001488806168 926699526 /nfs/dbraw/zinc/69/95/26/926699526.db2.gz YSPIXIRDSUFOPE-GEEKYZPCSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[NH2+]C[C@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@H]1C ZINC001495335002 926983915 /nfs/dbraw/zinc/98/39/15/926983915.db2.gz XLIYLUOZSTTWSP-NVXWUHKLSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001490216360 927034770 /nfs/dbraw/zinc/03/47/70/927034770.db2.gz ORXSXSFAAKOARJ-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)CCC)CC1 ZINC001490422080 927170018 /nfs/dbraw/zinc/17/00/18/927170018.db2.gz PVPXUFXSPLJXKX-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001490774363 927340106 /nfs/dbraw/zinc/34/01/06/927340106.db2.gz AGIBHYJHPLJIPI-HOTGVXAUSA-N 2 0 293.455 1.376 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCC)C(C)C)CC1 ZINC001568469975 1169304847 /nfs/dbraw/zinc/30/48/47/1169304847.db2.gz FOCUMCADQLGBLN-INIZCTEOSA-N 2 0 293.455 1.472 10 30 CDEERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852910605 927916122 /nfs/dbraw/zinc/91/61/22/927916122.db2.gz WSPVDWOPQSCVIA-HNNXBMFYSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001274387659 931496472 /nfs/dbraw/zinc/49/64/72/931496472.db2.gz BJXHJGQSAXBZFU-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001320150045 931499806 /nfs/dbraw/zinc/49/98/06/931499806.db2.gz AMPPRIFNVMQFFY-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001275232849 931707680 /nfs/dbraw/zinc/70/76/80/931707680.db2.gz DOUACKGSANIJKU-XSCHDIRWSA-N 2 0 279.428 1.387 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001276258568 932694653 /nfs/dbraw/zinc/69/46/53/932694653.db2.gz JQKPPSXXQWUYKS-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)Cc1c[nH]cn1)C1CCCC1 ZINC001278276920 945241745 /nfs/dbraw/zinc/24/17/45/945241745.db2.gz ZIJNXNFBSRYJSN-AWEZNQCLSA-N 2 0 276.384 1.403 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001276439537 939730769 /nfs/dbraw/zinc/73/07/69/939730769.db2.gz GIWGHSMHNCCKTA-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001276552426 940279054 /nfs/dbraw/zinc/27/90/54/940279054.db2.gz ICOWWTJOFRCASX-KGLIPLIRSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CC ZINC001276752729 940980147 /nfs/dbraw/zinc/98/01/47/940980147.db2.gz UXJRSBAPJARPHQ-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001279695540 942401761 /nfs/dbraw/zinc/40/17/61/942401761.db2.gz MVHMJXHQWJHXKG-UHFFFAOYSA-N 2 0 291.439 1.797 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001281957636 942636923 /nfs/dbraw/zinc/63/69/23/942636923.db2.gz SIDONFKBPZQHAT-OAHLLOKOSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)CCC ZINC001283702922 942975229 /nfs/dbraw/zinc/97/52/29/942975229.db2.gz DFXSHMQYPQIOMN-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001283939867 943032545 /nfs/dbraw/zinc/03/25/45/943032545.db2.gz NSIDSMSLUZXUMM-CABCVRRESA-N 2 0 297.443 1.108 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001277662815 943262975 /nfs/dbraw/zinc/26/29/75/943262975.db2.gz OPHXGTBUQSKQIM-CVEARBPZSA-N 2 0 295.471 1.975 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001263827905 943991973 /nfs/dbraw/zinc/99/19/73/943991973.db2.gz SPXZKGJAQLXSBT-MJBXVCDLSA-N 2 0 265.401 1.141 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001265092797 944226645 /nfs/dbraw/zinc/22/66/45/944226645.db2.gz VCLIPHZPTAHJHO-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH+]1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001265193249 944266727 /nfs/dbraw/zinc/26/67/27/944266727.db2.gz BQCSRRIHIVWHMM-UHFFFAOYSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265594740 944440747 /nfs/dbraw/zinc/44/07/47/944440747.db2.gz JRIWYJVWUZGRCP-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001265783597 944508166 /nfs/dbraw/zinc/50/81/66/944508166.db2.gz NSNJZSARDMXJLV-GDBMZVCRSA-N 2 0 291.439 1.511 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001265865350 944547288 /nfs/dbraw/zinc/54/72/88/944547288.db2.gz YSFXIYWSPNVJSH-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266103498 944683275 /nfs/dbraw/zinc/68/32/75/944683275.db2.gz RNRUHRBISHSXLF-INIZCTEOSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001266183477 944739070 /nfs/dbraw/zinc/73/90/70/944739070.db2.gz GBUFODKXMDDXPI-HNNXBMFYSA-N 2 0 299.434 1.775 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001278313919 945853434 /nfs/dbraw/zinc/85/34/34/945853434.db2.gz ACMVOUIRJQGWFZ-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001278573119 950219906 /nfs/dbraw/zinc/21/99/06/950219906.db2.gz WEMLGCGUYBNXRC-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001278592824 950318695 /nfs/dbraw/zinc/31/86/95/950318695.db2.gz GSHMVNJTJVYJBF-GJZGRUSLSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001278611495 950460888 /nfs/dbraw/zinc/46/08/88/950460888.db2.gz YLPWLORELQZUHH-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001480324080 971672004 /nfs/dbraw/zinc/67/20/04/971672004.db2.gz FGAYYJSINLULBY-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001480591176 971798558 /nfs/dbraw/zinc/79/85/58/971798558.db2.gz CPYRFDYBZDWYLW-ZDUSSCGKSA-N 2 0 253.390 1.143 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001480596893 971800198 /nfs/dbraw/zinc/80/01/98/971800198.db2.gz MUNBFAZYNMQLRO-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001480711393 971846891 /nfs/dbraw/zinc/84/68/91/971846891.db2.gz ZGNXKNBLZXGXPN-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCOCC1 ZINC001325005523 953678769 /nfs/dbraw/zinc/67/87/69/953678769.db2.gz MNUYTIXRQGHIEQ-AWEZNQCLSA-N 2 0 297.443 1.014 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001325456092 953909347 /nfs/dbraw/zinc/90/93/47/953909347.db2.gz NRIIHHKHMBECIX-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001493380111 972037552 /nfs/dbraw/zinc/03/75/52/972037552.db2.gz MYDPVTBWBKBPNT-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001327164810 954744831 /nfs/dbraw/zinc/74/48/31/954744831.db2.gz WSEKKNHDHKASAP-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001493382487 972038256 /nfs/dbraw/zinc/03/82/56/972038256.db2.gz RTNXAYBYGWTWHX-CQSZACIVSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001327942609 955123851 /nfs/dbraw/zinc/12/38/51/955123851.db2.gz VYMXPGIZZYMNPJ-CABCVRRESA-N 2 0 291.439 1.485 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001328102186 955192008 /nfs/dbraw/zinc/19/20/08/955192008.db2.gz KTGINFXVXZFBEK-AWEZNQCLSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317176735 955292810 /nfs/dbraw/zinc/29/28/10/955292810.db2.gz DMTGLQGFKBHEJF-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001493599685 972084596 /nfs/dbraw/zinc/08/45/96/972084596.db2.gz GQCTXRXDKSAJBQ-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001493612384 972087531 /nfs/dbraw/zinc/08/75/31/972087531.db2.gz CFHYMPDYOFWMGF-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001328577325 955354009 /nfs/dbraw/zinc/35/40/09/955354009.db2.gz DCBALCJCTKEUMM-MRXNPFEDSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001491674424 955385326 /nfs/dbraw/zinc/38/53/26/955385326.db2.gz OKUJCWJRIZAJBF-LSDHHAIUSA-N 2 0 297.443 1.015 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001491772406 955415108 /nfs/dbraw/zinc/41/51/08/955415108.db2.gz FOQGHGDDZUHNHP-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001491857224 955471943 /nfs/dbraw/zinc/47/19/43/955471943.db2.gz YJOXAHCJEWYBGO-HOTGVXAUSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001492034757 955619654 /nfs/dbraw/zinc/61/96/54/955619654.db2.gz NCXMIWOSRUTMLU-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001492164896 955664074 /nfs/dbraw/zinc/66/40/74/955664074.db2.gz ITTKHJWYQCPHAF-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001421992992 955690901 /nfs/dbraw/zinc/69/09/01/955690901.db2.gz NDNCAQUXZKZYEE-OLZOCXBDSA-N 2 0 287.835 1.517 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001317348819 956199655 /nfs/dbraw/zinc/19/96/55/956199655.db2.gz CPPQGRINRCSJGK-HUUCEWRRSA-N 2 0 291.439 1.511 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001366054815 956534020 /nfs/dbraw/zinc/53/40/20/956534020.db2.gz AZZDMIQHHBCGBJ-CYBMUJFWSA-N 2 0 297.830 1.319 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001330686511 956567023 /nfs/dbraw/zinc/56/70/23/956567023.db2.gz MAOCASUKHFRFTQ-FPCVCCKLSA-N 2 0 293.455 1.777 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001494324822 972210292 /nfs/dbraw/zinc/21/02/92/972210292.db2.gz OENFHQRPZKNWBE-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001316882443 957088336 /nfs/dbraw/zinc/08/83/36/957088336.db2.gz YTLCLIFOPMCYMH-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001317069589 957243736 /nfs/dbraw/zinc/24/37/36/957243736.db2.gz ROZMIYBFNRSJNX-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001317277950 957400098 /nfs/dbraw/zinc/40/00/98/957400098.db2.gz WWIWTUMOUWFKQN-AWEZNQCLSA-N 2 0 291.439 1.226 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001317993708 957844828 /nfs/dbraw/zinc/84/48/28/957844828.db2.gz AXVZNPFOIRJZMD-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001494842459 972321173 /nfs/dbraw/zinc/32/11/73/972321173.db2.gz QWSZHQSXRSNDRM-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001494864755 972326170 /nfs/dbraw/zinc/32/61/70/972326170.db2.gz VAUNSMHKFVFYEL-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP CC#CC[NH+]1CC=C(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001333433686 958335480 /nfs/dbraw/zinc/33/54/80/958335480.db2.gz XPXJZQJWLMQGKE-UHFFFAOYSA-N 2 0 277.412 1.100 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001369178796 959507967 /nfs/dbraw/zinc/50/79/67/959507967.db2.gz WZGVXXMWDBKARR-MQMHXKEQSA-N 2 0 299.846 1.565 10 30 CDEERP CC#CC[NH+]1CCC(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001495536938 972530352 /nfs/dbraw/zinc/53/03/52/972530352.db2.gz WBGRSIGYJBBKHD-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001324175388 961218065 /nfs/dbraw/zinc/21/80/65/961218065.db2.gz MXYHZSNEAIAOLB-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001324220501 961244621 /nfs/dbraw/zinc/24/46/21/961244621.db2.gz IXMDDCMKNVUDCX-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001347591749 965608654 /nfs/dbraw/zinc/60/86/54/965608654.db2.gz VJSIPNOSZIYSHS-UHFFFAOYSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001347861174 965729551 /nfs/dbraw/zinc/72/95/51/965729551.db2.gz FHRMTVZUZLBSFA-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001480474344 967951918 /nfs/dbraw/zinc/95/19/18/967951918.db2.gz YPDDODDVSWKOEQ-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC001353591869 968088963 /nfs/dbraw/zinc/08/89/63/968088963.db2.gz WYOHHTPPRVLKQM-CYBMUJFWSA-N 2 0 253.390 1.223 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001522262963 970414945 /nfs/dbraw/zinc/41/49/45/970414945.db2.gz DCSOHPGNSWRSNU-OLZOCXBDSA-N 2 0 253.390 1.400 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001496561299 972972005 /nfs/dbraw/zinc/97/20/05/972972005.db2.gz HGUDFYBNSFOCBM-HNNXBMFYSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001496614401 972990531 /nfs/dbraw/zinc/99/05/31/972990531.db2.gz CJNFBJYFDOXOAB-OAHLLOKOSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1 ZINC001497401489 973333772 /nfs/dbraw/zinc/33/37/72/973333772.db2.gz UAMRSKMNLMQRSR-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001498022792 973627729 /nfs/dbraw/zinc/62/77/29/973627729.db2.gz WXWYWXTZZGMKRY-RDJZCZTQSA-N 2 0 299.418 1.227 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001499922454 974336665 /nfs/dbraw/zinc/33/66/65/974336665.db2.gz DDGSHDGXWSLIIL-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCC1 ZINC001500110495 974376594 /nfs/dbraw/zinc/37/65/94/974376594.db2.gz JDLVAWCSQRZEIU-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500549419 974449173 /nfs/dbraw/zinc/44/91/73/974449173.db2.gz ANQFGKNCVCPKFB-DOTOQJQBSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001505497677 974895684 /nfs/dbraw/zinc/89/56/84/974895684.db2.gz MIFMVDJZCOECIT-UYSNPLJNSA-N 2 0 291.439 1.367 10 30 CDEERP C=CCC[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001506037925 975096672 /nfs/dbraw/zinc/09/66/72/975096672.db2.gz CQRSATOMLGPAEA-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001506560310 975179312 /nfs/dbraw/zinc/17/93/12/975179312.db2.gz QNTZJRSLIRJIPD-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001507148227 975354775 /nfs/dbraw/zinc/35/47/75/975354775.db2.gz LPDBAPZIOWDEEJ-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1(C)C ZINC001507446292 975474668 /nfs/dbraw/zinc/47/46/68/975474668.db2.gz SGWJYOBIDWZDQH-CQSZACIVSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001399226017 976388660 /nfs/dbraw/zinc/38/86/60/976388660.db2.gz HZRJRFXOGUVZQN-KBPBESRZSA-N 2 0 299.846 1.661 10 30 CDEERP C=C(Cl)CN1CC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001399929248 976754687 /nfs/dbraw/zinc/75/46/87/976754687.db2.gz HGJSLWYKKGPUMN-JSGCOSHPSA-N 2 0 299.846 1.519 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001677435145 1174360280 /nfs/dbraw/zinc/36/02/80/1174360280.db2.gz XDYSKZQMAWSXHF-UHFFFAOYSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001570753349 1170272129 /nfs/dbraw/zinc/27/21/29/1170272129.db2.gz HQUZMKFUJWMFPG-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001570815675 1170286600 /nfs/dbraw/zinc/28/66/00/1170286600.db2.gz IBHFUDVEKXLUEE-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001570851506 1170300260 /nfs/dbraw/zinc/30/02/60/1170300260.db2.gz CGILZXPIRJQTLB-UONOGXRCSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001571523142 1170461762 /nfs/dbraw/zinc/46/17/62/1170461762.db2.gz ORTVQSWHYQTGNG-HUUCEWRRSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)CC[C@H]1CCC[NH+]1C)C(C)C ZINC001571612214 1170494938 /nfs/dbraw/zinc/49/49/38/1170494938.db2.gz BLZIEMYQJBHEJZ-MRXNPFEDSA-N 2 0 293.455 1.663 10 30 CDEERP C=CC[N@@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001571616252 1170496224 /nfs/dbraw/zinc/49/62/24/1170496224.db2.gz WHGDJKWKZXGHGA-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001571624305 1170500853 /nfs/dbraw/zinc/50/08/53/1170500853.db2.gz HQQFIQAFNRTARU-HUUCEWRRSA-N 2 0 293.455 1.635 10 30 CDEERP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000594436317 342899201 /nfs/dbraw/zinc/89/92/01/342899201.db2.gz DBAWWIWMPYCKQS-ZIAGYGMSSA-N 2 0 278.400 1.093 10 30 CDEERP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C[N@@H+]1C1CC1 ZINC000594438601 342906335 /nfs/dbraw/zinc/90/63/35/342906335.db2.gz KOCUCSPXCWUGHY-BZPMIXESSA-N 2 0 278.400 1.139 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000594442028 342907758 /nfs/dbraw/zinc/90/77/58/342907758.db2.gz ZSMGOFSBMHEIJG-CABCVRRESA-N 2 0 292.427 1.484 10 30 CDEERP N#Cc1cccc(C2([NH2+]C[C@H]3CC[NH2+]C3)CCOCC2)c1 ZINC000595908443 343188966 /nfs/dbraw/zinc/18/89/66/343188966.db2.gz IIAOLLNPBRFHQP-HNNXBMFYSA-N 2 0 285.391 1.763 10 30 CDEERP C=CC[C@]1(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCC[NH2+]1 ZINC000634741925 358190043 /nfs/dbraw/zinc/19/00/43/358190043.db2.gz TZVVAWASOJRSFF-OWCLPIDISA-N 2 0 277.412 1.143 10 30 CDEERP C=C(C)[C@@H](CO)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639705197 364457257 /nfs/dbraw/zinc/45/72/57/364457257.db2.gz UJONUDPWELZCPE-OAHLLOKOSA-N 2 0 261.369 1.531 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCC[NH2+]1 ZINC000638515069 370542535 /nfs/dbraw/zinc/54/25/35/370542535.db2.gz XOQJRNFYCIRAQV-SWLSCSKDSA-N 2 0 263.385 1.086 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001664370077 1172846076 /nfs/dbraw/zinc/84/60/76/1172846076.db2.gz WNVAWGXANNXZSI-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001664849631 1172919830 /nfs/dbraw/zinc/91/98/30/1172919830.db2.gz SRXAGPLVLRYCRO-LSDHHAIUSA-N 2 0 281.444 1.683 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CCC[NH2+]1 ZINC000662732588 413399974 /nfs/dbraw/zinc/39/99/74/413399974.db2.gz YHZDJTUTPVGZKL-GZBFAFLISA-N 2 0 265.401 1.284 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CCC[NH2+]1 ZINC000662743945 413417731 /nfs/dbraw/zinc/41/77/31/413417731.db2.gz ACZXWRVMUHRATL-CJNGLKHVSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[C@]1(C(=O)NCC[N@H+]2CC[C@@H](C)C2)CCC[NH2+]1 ZINC000662746682 413420699 /nfs/dbraw/zinc/42/06/99/413420699.db2.gz QQWGKVWRMUWAHT-UKRRQHHQSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[C@]1(C(=O)N2CC3CCC2(C[NH3+])CC3)CCC[NH2+]1 ZINC000662825561 413555409 /nfs/dbraw/zinc/55/54/09/413555409.db2.gz KKHGDKFCJDGSCP-AVVWSFFYSA-N 2 0 277.412 1.415 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[C@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000662860659 413620617 /nfs/dbraw/zinc/62/06/17/413620617.db2.gz SWKLGJCAXABVLM-JSGCOSHPSA-N 2 0 253.390 1.141 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001669399854 1173546948 /nfs/dbraw/zinc/54/69/48/1173546948.db2.gz QRJVDXWNNMWFCD-CYBMUJFWSA-N 2 0 267.417 1.082 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C1CCCC1 ZINC001671570154 1173690100 /nfs/dbraw/zinc/69/01/00/1173690100.db2.gz QXNYCUKTKODYBK-INIZCTEOSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001673439597 1173856220 /nfs/dbraw/zinc/85/62/20/1173856220.db2.gz YYLDOBRXXJKGQN-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001671369107 1159154834 /nfs/dbraw/zinc/15/48/34/1159154834.db2.gz QGIFTHSWZZELDS-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP [NH2+]=C(NC[C@H]1CCCO1)NC1CC([NH+]2CCCCC2)C1 ZINC000262435216 330010434 /nfs/dbraw/zinc/01/04/34/330010434.db2.gz XCAOOZHJTFQYLU-JXQTWKCFSA-N 2 0 280.416 1.087 10 30 CDEERP C=C(C)CNC(=[NH2+])NCC1(N2CCOCC2)CCCCC1 ZINC000263269559 330051373 /nfs/dbraw/zinc/05/13/73/330051373.db2.gz WLZLSJMIGOXGAR-UHFFFAOYSA-N 2 0 294.443 1.502 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001493298819 1159191639 /nfs/dbraw/zinc/19/16/39/1159191639.db2.gz CZYIUMMHBRIXDY-UHFFFAOYSA-N 2 0 291.439 1.324 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001731615908 1159315612 /nfs/dbraw/zinc/31/56/12/1159315612.db2.gz DDUVBRKCTYYDTK-XJKSGUPXSA-N 2 0 297.418 1.317 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001483585293 1160952523 /nfs/dbraw/zinc/95/25/23/1160952523.db2.gz IWPBXXGYDKWAQW-LSDHHAIUSA-N 2 0 279.428 1.080 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725145163 1181882186 /nfs/dbraw/zinc/88/21/86/1181882186.db2.gz AFIWDGBILBEIAS-AWEZNQCLSA-N 2 0 281.444 1.588 10 30 CDEERP COC[C@@H](C)[N@H+](C)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049609575 522219836 /nfs/dbraw/zinc/21/98/36/522219836.db2.gz HTLXIWXIRRPGHQ-CYBMUJFWSA-N 2 0 276.380 1.472 10 30 CDEERP COC[C@H](C)[N@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049609578 522592821 /nfs/dbraw/zinc/59/28/21/522592821.db2.gz AOLUQJQLTCEGNY-AWEZNQCLSA-N 2 0 276.380 1.342 10 30 CDEERP COc1ccc(CN2CCC[N@H+](C)CC2)cc1C#CC[NH3+] ZINC000049608759 524026634 /nfs/dbraw/zinc/02/66/34/524026634.db2.gz LQDJURFFBOJOBU-UHFFFAOYSA-N 2 0 287.407 1.143 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218426 613018535 /nfs/dbraw/zinc/01/85/35/613018535.db2.gz XMMOHERNOUZBQS-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]C(C)C)C2)CC1 ZINC000939810214 613129538 /nfs/dbraw/zinc/12/95/38/613129538.db2.gz LMQJEADDEKSCQI-GOEBONIOSA-N 2 0 291.439 1.177 10 30 CDEERP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941032272 613259103 /nfs/dbraw/zinc/25/91/03/613259103.db2.gz GWWNSBTYONPDSZ-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939547829 613386905 /nfs/dbraw/zinc/38/69/05/613386905.db2.gz ZXBOPYOPONUMHB-AAEUAGOBSA-N 2 0 297.830 1.271 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC1CC[NH+](CC)CC1 ZINC000900355663 622905277 /nfs/dbraw/zinc/90/52/77/622905277.db2.gz XQGDSHSLFGMRLE-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP Cc1cc(C#N)cc(C)c1C[N@H+](C)CCOCC[NH3+] ZINC000903473825 626004644 /nfs/dbraw/zinc/00/46/44/626004644.db2.gz AIXQEGMPFDPUPF-UHFFFAOYSA-N 2 0 261.369 1.582 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001266417919 1158540238 /nfs/dbraw/zinc/54/02/38/1158540238.db2.gz INRLHFNHAXMCHH-OAHLLOKOSA-N 2 0 291.439 1.675 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@@H](C)CC)CC1 ZINC001772517094 1158551771 /nfs/dbraw/zinc/55/17/71/1158551771.db2.gz JHCRPTPRNYDPDK-LSDHHAIUSA-N 2 0 293.455 1.472 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001691196577 1158954113 /nfs/dbraw/zinc/95/41/13/1158954113.db2.gz ULJDBTIOVWSGAS-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001691305860 1159008156 /nfs/dbraw/zinc/00/81/56/1159008156.db2.gz QASBRDSQUZWSAB-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC2CCC2)CC1 ZINC001266994411 1159072780 /nfs/dbraw/zinc/07/27/80/1159072780.db2.gz NAEFLASJGXAWDB-AWEZNQCLSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001483592224 1160953802 /nfs/dbraw/zinc/95/38/02/1160953802.db2.gz LDSQDXJKKMNRDU-CVEARBPZSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000876713707 1165898649 /nfs/dbraw/zinc/89/86/49/1165898649.db2.gz NLOGTHRGQLAXSF-LLVKDONJSA-N 2 0 259.781 1.058 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000876723268 1165901646 /nfs/dbraw/zinc/90/16/46/1165901646.db2.gz QZKQIBWXAWCNCE-UHTWSYAYSA-N 2 0 287.835 1.693 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000876933006 1165942457 /nfs/dbraw/zinc/94/24/57/1165942457.db2.gz BTNYEXOFOQWHPC-NEPJUHHUSA-N 2 0 285.819 1.447 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001566723134 1168400919 /nfs/dbraw/zinc/40/09/19/1168400919.db2.gz WUMOCXUVHOQVIB-INIZCTEOSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[N@H+]1CC[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001567712735 1168929826 /nfs/dbraw/zinc/92/98/26/1168929826.db2.gz YBMOJYOYTIMSRE-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001648331351 1169121900 /nfs/dbraw/zinc/12/19/00/1169121900.db2.gz LZFXXAJUOAHVRV-UHFFFAOYSA-N 2 0 276.384 1.221 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568180752 1169164961 /nfs/dbraw/zinc/16/49/61/1169164961.db2.gz XAAAOZKVLOXFPM-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001568950615 1169561194 /nfs/dbraw/zinc/56/11/94/1169561194.db2.gz KBQGEZYJMLSGER-YCZSJOHXSA-N 2 0 293.455 1.945 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001569705080 1169971580 /nfs/dbraw/zinc/97/15/80/1169971580.db2.gz JSMPPMOBDUSQML-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCC1 ZINC001570109838 1170083089 /nfs/dbraw/zinc/08/30/89/1170083089.db2.gz VIWLVBSQPQNMPW-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001571536273 1170469489 /nfs/dbraw/zinc/46/94/89/1170469489.db2.gz MUQOZNCFQPEDRI-KGLIPLIRSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001661177808 1172348889 /nfs/dbraw/zinc/34/88/89/1172348889.db2.gz NFMICCBQOCLFSI-INIZCTEOSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001663683810 1172746518 /nfs/dbraw/zinc/74/65/18/1172746518.db2.gz HDHRJPURKDHULK-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001664185820 1172821139 /nfs/dbraw/zinc/82/11/39/1172821139.db2.gz DEKBOWHXXKXXMO-MRXNPFEDSA-N 2 0 299.434 1.823 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001668882180 1173476194 /nfs/dbraw/zinc/47/61/94/1173476194.db2.gz DXMPQMRBMPNTLZ-SNAWJCMRSA-N 2 0 291.439 1.701 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001671779837 1173711192 /nfs/dbraw/zinc/71/11/92/1173711192.db2.gz NLRBYMXWOVRICW-KRWDZBQOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001675903989 1174162949 /nfs/dbraw/zinc/16/29/49/1174162949.db2.gz PLVRQVCBSVADDK-UKRRQHHQSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001676051863 1174177101 /nfs/dbraw/zinc/17/71/01/1174177101.db2.gz AURKUIJQYBXTPF-HNNXBMFYSA-N 2 0 299.434 1.775 10 30 CDEERP C=C(C)C[NH+](CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001690012527 1175345413 /nfs/dbraw/zinc/34/54/13/1175345413.db2.gz ICWNWWZWHGALBV-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001690459881 1175475691 /nfs/dbraw/zinc/47/56/91/1175475691.db2.gz UPGWORHPBSAZBU-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001698711017 1175901427 /nfs/dbraw/zinc/90/14/27/1175901427.db2.gz IWSZOZBEACRYAD-HDJSIYSDSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001698861184 1175967708 /nfs/dbraw/zinc/96/77/08/1175967708.db2.gz NAJBJAFGWLGAHY-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698951275 1175993593 /nfs/dbraw/zinc/99/35/93/1175993593.db2.gz YIMUHHFXYNPMHB-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@H](F)CC)CC1 ZINC001699432892 1176395418 /nfs/dbraw/zinc/39/54/18/1176395418.db2.gz HBQUMXFILBRTPH-DZGCQCFKSA-N 2 0 297.418 1.174 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001699595149 1176493044 /nfs/dbraw/zinc/49/30/44/1176493044.db2.gz VUKCIDXZWJBSEU-MRXNPFEDSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001699738357 1176597298 /nfs/dbraw/zinc/59/72/98/1176597298.db2.gz KYSAMSFVNGONTP-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001699855008 1176656574 /nfs/dbraw/zinc/65/65/74/1176656574.db2.gz YGAYZZRRIQICGA-ZBFHGGJFSA-N 2 0 279.428 1.034 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700391488 1176899018 /nfs/dbraw/zinc/89/90/18/1176899018.db2.gz ANAIGLCRHUTABA-LSDHHAIUSA-N 2 0 293.455 1.757 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001700753436 1177114587 /nfs/dbraw/zinc/11/45/87/1177114587.db2.gz XQRHCOWGOKBTKK-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001700946795 1177203910 /nfs/dbraw/zinc/20/39/10/1177203910.db2.gz MIGDCUWUSBYYGC-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001713083095 1178354676 /nfs/dbraw/zinc/35/46/76/1178354676.db2.gz QOOPMIUAFXBACQ-OWCLPIDISA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001713245873 1178452063 /nfs/dbraw/zinc/45/20/63/1178452063.db2.gz JNGPQMGRUYZLKB-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001713682491 1178707003 /nfs/dbraw/zinc/70/70/03/1178707003.db2.gz BZCMAWZPZGUDLZ-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001714005065 1178924188 /nfs/dbraw/zinc/92/41/88/1178924188.db2.gz ZHTZNNOBNRVSRP-MRXNPFEDSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714075714 1178961132 /nfs/dbraw/zinc/96/11/32/1178961132.db2.gz ZHBWULRQJPGJJR-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714238287 1179040146 /nfs/dbraw/zinc/04/01/46/1179040146.db2.gz DGIQBBXEQICBCC-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001714905604 1179447670 /nfs/dbraw/zinc/44/76/70/1179447670.db2.gz PGBUKMXIPGQIHM-OAHLLOKOSA-N 2 0 291.439 1.439 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001714929342 1179457908 /nfs/dbraw/zinc/45/79/08/1179457908.db2.gz WZDSVZIKJIPIQC-OAHLLOKOSA-N 2 0 279.428 1.082 10 30 CDEERP C=CCC[NH+]1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001714980784 1179488392 /nfs/dbraw/zinc/48/83/92/1179488392.db2.gz YHAIHFYXZOBDQO-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001715024587 1179516809 /nfs/dbraw/zinc/51/68/09/1179516809.db2.gz PUVZYSHDSCFJIU-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001715188364 1179573611 /nfs/dbraw/zinc/57/36/11/1179573611.db2.gz ABLSMWNPZWVWPD-SHTZXODSSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001715961814 1179943089 /nfs/dbraw/zinc/94/30/89/1179943089.db2.gz HQUGWIPWLFJFST-KGLIPLIRSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001716007896 1179979626 /nfs/dbraw/zinc/97/96/26/1179979626.db2.gz CCQGKQBYTOCEOD-NSHDSACASA-N 2 0 261.797 1.173 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001716784047 1180413923 /nfs/dbraw/zinc/41/39/23/1180413923.db2.gz HIFJDFCTHVDHDX-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001716901665 1180458979 /nfs/dbraw/zinc/45/89/79/1180458979.db2.gz NDZMOYBCZVLKFZ-HOCLYGCPSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001717158641 1180553765 /nfs/dbraw/zinc/55/37/65/1180553765.db2.gz CQTHVCJIFZKTCD-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001717477644 1180696108 /nfs/dbraw/zinc/69/61/08/1180696108.db2.gz BLVDNFBNQHQYDW-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001717646317 1180772063 /nfs/dbraw/zinc/77/20/63/1180772063.db2.gz HETSUBYVCVJVAZ-VGWMRTNUSA-N 2 0 291.439 1.224 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2nccn2C)C1 ZINC001717877443 1180908178 /nfs/dbraw/zinc/90/81/78/1180908178.db2.gz PFNTUOAAJONHJS-KBPBESRZSA-N 2 0 290.411 1.413 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001723528983 1181583644 /nfs/dbraw/zinc/58/36/44/1181583644.db2.gz IXEDHELLLFGJJY-ZIAGYGMSSA-N 2 0 277.412 1.428 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001724696584 1181726345 /nfs/dbraw/zinc/72/63/45/1181726345.db2.gz HIXZOHOUQDDERP-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001724709630 1181731501 /nfs/dbraw/zinc/73/15/01/1181731501.db2.gz VKXHOEWBSSIPQB-OWCLPIDISA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001724896062 1181788733 /nfs/dbraw/zinc/78/87/33/1181788733.db2.gz DRCWAEDXINSHOU-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001725071887 1181845538 /nfs/dbraw/zinc/84/55/38/1181845538.db2.gz PPDGAABTVZUFAF-QQFBHYJXSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001725458426 1182007698 /nfs/dbraw/zinc/00/76/98/1182007698.db2.gz YAAUJJOBIIFXBT-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001731405462 1182367387 /nfs/dbraw/zinc/36/73/87/1182367387.db2.gz KQONRAUGZCANBT-GDBMZVCRSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001731616619 1182481116 /nfs/dbraw/zinc/48/11/16/1182481116.db2.gz GVGLRIOQTGGJJF-CYBMUJFWSA-N 2 0 267.417 1.082 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001731663204 1182507979 /nfs/dbraw/zinc/50/79/79/1182507979.db2.gz LCWIZIUXICDMTK-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001731665530 1182509373 /nfs/dbraw/zinc/50/93/73/1182509373.db2.gz ZQVRSQSCDHGHQG-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731853152 1182629230 /nfs/dbraw/zinc/62/92/30/1182629230.db2.gz SWUMVGZNFFZFID-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001732139359 1182795636 /nfs/dbraw/zinc/79/56/36/1182795636.db2.gz ZXAZLQYKLLTYCR-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001732176577 1182833192 /nfs/dbraw/zinc/83/31/92/1182833192.db2.gz VHNSUSXDBMASDG-MRXNPFEDSA-N 2 0 291.439 1.418 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001732398278 1182944889 /nfs/dbraw/zinc/94/48/89/1182944889.db2.gz NIXGVJBOBNFUCQ-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001732426962 1182961115 /nfs/dbraw/zinc/96/11/15/1182961115.db2.gz FPAXFCLZMWXMHK-CYBMUJFWSA-N 2 0 298.390 1.716 10 30 CDEERP CC#CC[N@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001732584582 1183028832 /nfs/dbraw/zinc/02/88/32/1183028832.db2.gz MOPVXRIWCDIOPZ-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001732594656 1183035861 /nfs/dbraw/zinc/03/58/61/1183035861.db2.gz LHFJTGLSUCUQQC-UHFFFAOYSA-N 2 0 267.417 1.295 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)C[NH+]1CCC(C)CC1 ZINC001732801287 1183130280 /nfs/dbraw/zinc/13/02/80/1183130280.db2.gz ABRNPIGGRLOBHO-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001733037031 1183254298 /nfs/dbraw/zinc/25/42/98/1183254298.db2.gz CGBNXZKIPBTATG-QLFBSQMISA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001733689459 1183497755 /nfs/dbraw/zinc/49/77/55/1183497755.db2.gz PTOKRTYXHQCPPN-WKILWMFISA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001733938585 1183575882 /nfs/dbraw/zinc/57/58/82/1183575882.db2.gz IVDXJMGNKHSYLA-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001734094332 1183654893 /nfs/dbraw/zinc/65/48/93/1183654893.db2.gz SJVTUXNPVCIOBU-JKSUJKDBSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001734328574 1183734828 /nfs/dbraw/zinc/73/48/28/1183734828.db2.gz YEGYULVUNGECHV-SOUVJXGZSA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001734410793 1183767534 /nfs/dbraw/zinc/76/75/34/1183767534.db2.gz WBDOMOQWPFZNOL-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001734474520 1183793330 /nfs/dbraw/zinc/79/33/30/1183793330.db2.gz HSFDGOZVYWUFBZ-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691708932 1164428047 /nfs/dbraw/zinc/42/80/47/1164428047.db2.gz JOVPKSYYAPGCFX-OKILXGFUSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC001623415150 1165771099 /nfs/dbraw/zinc/77/10/99/1165771099.db2.gz LLOSIPCJCOQRTI-MRXNPFEDSA-N 2 0 289.423 1.393 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000876733178 1165902758 /nfs/dbraw/zinc/90/27/58/1165902758.db2.gz QTYSUGFJLCMAQG-ZIAGYGMSSA-N 2 0 299.846 1.933 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567689254 1168066736 /nfs/dbraw/zinc/06/67/36/1168066736.db2.gz SECRMCZGDAMZFE-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001566005234 1168212099 /nfs/dbraw/zinc/21/20/99/1168212099.db2.gz PIHWBVYGRBTTSL-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001566877464 1168452687 /nfs/dbraw/zinc/45/26/87/1168452687.db2.gz YKQCNKKCRISUMN-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001567027895 1168518276 /nfs/dbraw/zinc/51/82/76/1168518276.db2.gz CFODWRHUIVRIRW-ZDUSSCGKSA-N 2 0 279.428 1.367 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001567307890 1168670089 /nfs/dbraw/zinc/67/00/89/1168670089.db2.gz MGLCJRXMBKSZDT-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001567432496 1168755860 /nfs/dbraw/zinc/75/58/60/1168755860.db2.gz GFKJFQSONKJMPA-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001567448403 1168770792 /nfs/dbraw/zinc/77/07/92/1168770792.db2.gz NSCWQVRAOXFTSH-UHFFFAOYSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001496560553 895434091 /nfs/dbraw/zinc/43/40/91/895434091.db2.gz FAAUOMXJEAFTMG-HZPDHXFCSA-N 2 0 291.439 1.082 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267048529 896631909 /nfs/dbraw/zinc/63/19/09/896631909.db2.gz XUUTZFLTYBEMMR-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001267198914 897125656 /nfs/dbraw/zinc/12/56/56/897125656.db2.gz CZQPNGNSGPNQJF-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001267302269 897525075 /nfs/dbraw/zinc/52/50/75/897525075.db2.gz ODIRYJYTAQEYJP-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267589937 898601788 /nfs/dbraw/zinc/60/17/88/898601788.db2.gz ROEGKHPWPZALSH-HZPDHXFCSA-N 2 0 293.455 1.376 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001481045171 898677168 /nfs/dbraw/zinc/67/71/68/898677168.db2.gz HWOGVJHGWMLTTB-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001481183069 899076726 /nfs/dbraw/zinc/07/67/26/899076726.db2.gz JDDJKBQXSJYNJS-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567687994 1168916539 /nfs/dbraw/zinc/91/65/39/1168916539.db2.gz CMRFONXNMZKDEO-OAHLLOKOSA-N 2 0 291.439 1.581 10 30 CDEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001267864387 899899637 /nfs/dbraw/zinc/89/96/37/899899637.db2.gz CLNSBIODIHMEHF-CJNGLKHVSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001267991558 900210726 /nfs/dbraw/zinc/21/07/26/900210726.db2.gz AYTLSRQCDNNTIB-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001481373113 900504091 /nfs/dbraw/zinc/50/40/91/900504091.db2.gz UZWXGDXVUBLFCG-RDJZCZTQSA-N 2 0 299.418 1.409 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001481452206 900713442 /nfs/dbraw/zinc/71/34/42/900713442.db2.gz KOGHPAVOTDUBGY-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001567743285 1168946208 /nfs/dbraw/zinc/94/62/08/1168946208.db2.gz WPPGMAAXVDLXRU-OAHLLOKOSA-N 2 0 279.428 1.132 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)C ZINC001268211819 901581808 /nfs/dbraw/zinc/58/18/08/901581808.db2.gz HZACXBGWJRAWLJ-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001268218542 901592117 /nfs/dbraw/zinc/59/21/17/901592117.db2.gz JHQKNNCBAWXKJC-CVEARBPZSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001481988396 902439823 /nfs/dbraw/zinc/43/98/23/902439823.db2.gz QICWZFFTOSARKS-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001268689434 902970021 /nfs/dbraw/zinc/97/00/21/902970021.db2.gz XIIFFTANLZNVCS-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268689234 902971755 /nfs/dbraw/zinc/97/17/55/902971755.db2.gz SWDRDXYQXVQZJS-GJZGRUSLSA-N 2 0 281.444 1.920 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001268759319 903094590 /nfs/dbraw/zinc/09/45/90/903094590.db2.gz KTHHBGJDZPYMPT-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CC ZINC001269173566 903504302 /nfs/dbraw/zinc/50/43/02/903504302.db2.gz AZCIAORUXSCZRB-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001269597143 903958588 /nfs/dbraw/zinc/95/85/88/903958588.db2.gz BFCNREHVCPXDHR-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567830291 1169003042 /nfs/dbraw/zinc/00/30/42/1169003042.db2.gz NQYBDDZKWJRTIG-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482283629 904570926 /nfs/dbraw/zinc/57/09/26/904570926.db2.gz HBRFSWAXOPCUEU-HNNXBMFYSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001270829850 905111385 /nfs/dbraw/zinc/11/13/85/905111385.db2.gz NKRPSMKEVMHSAT-WBVHZDCISA-N 2 0 295.471 1.977 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001271284914 906224318 /nfs/dbraw/zinc/22/43/18/906224318.db2.gz AUWJVQFLLCKPHY-HNNXBMFYSA-N 2 0 293.455 1.615 10 30 CDEERP [NH2+]=C(NCCC[NH+]1CCC(O)CC1)NC1CCCCC1 ZINC000303906547 906682223 /nfs/dbraw/zinc/68/22/23/906682223.db2.gz WEXUIWWJEVGANL-UHFFFAOYSA-N 2 0 282.432 1.070 10 30 CDEERP C=CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001271778141 906803295 /nfs/dbraw/zinc/80/32/95/906803295.db2.gz FEFYVTXSZULFDZ-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001483197740 909957216 /nfs/dbraw/zinc/95/72/16/909957216.db2.gz PSNMQAPWKWSQRW-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483942916 915216400 /nfs/dbraw/zinc/21/64/00/915216400.db2.gz SCDJUEFGTPDOHL-SOUVJXGZSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484176936 915491621 /nfs/dbraw/zinc/49/16/21/915491621.db2.gz YJAXRFWSTVQNOI-QGZVFWFLSA-N 2 0 291.439 1.324 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568179490 1169163153 /nfs/dbraw/zinc/16/31/53/1169163153.db2.gz CBPOQKVBOWNIRK-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001484927199 916274255 /nfs/dbraw/zinc/27/42/55/916274255.db2.gz OKMKTIZZJAGIJO-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001485061401 916459894 /nfs/dbraw/zinc/45/98/94/916459894.db2.gz AEBKOZOEIRHTHK-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001273467826 916643503 /nfs/dbraw/zinc/64/35/03/916643503.db2.gz VZDFUMKAKDDDBX-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001568207563 1169177752 /nfs/dbraw/zinc/17/77/52/1169177752.db2.gz CFPGRJNLBCLDNF-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001485433749 916965218 /nfs/dbraw/zinc/96/52/18/916965218.db2.gz BUODKESNPVZBMO-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001485692658 917193638 /nfs/dbraw/zinc/19/36/38/917193638.db2.gz LGXAMMGLXOJLQQ-JYJNAYRXSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001486133534 920737884 /nfs/dbraw/zinc/73/78/84/920737884.db2.gz DIGLIFBVABYXLV-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001486138505 920746179 /nfs/dbraw/zinc/74/61/79/920746179.db2.gz YBOKHDRXNLJJPM-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001568321012 1169242444 /nfs/dbraw/zinc/24/24/44/1169242444.db2.gz SQFGEJYIDWQKPS-ZDUSSCGKSA-N 2 0 255.406 1.339 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001491174068 936869594 /nfs/dbraw/zinc/86/95/94/936869594.db2.gz OAWSKDXGVHEIMX-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001491334574 936895296 /nfs/dbraw/zinc/89/52/96/936895296.db2.gz QKXALZRLDLTIMG-ZVDSWSACSA-N 2 0 291.439 1.339 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001490775319 927338070 /nfs/dbraw/zinc/33/80/70/927338070.db2.gz AWUDIYDAYSKHAG-CABCVRRESA-N 2 0 279.428 1.295 10 30 CDEERP C#CC[NH+](C)CCCNC(=O)NC(C)(C)C[N@@H+](C)CCC ZINC000854092716 928154628 /nfs/dbraw/zinc/15/46/28/928154628.db2.gz RCIXCJJBSPMINH-UHFFFAOYSA-N 2 0 296.459 1.361 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568497539 1169330989 /nfs/dbraw/zinc/33/09/89/1169330989.db2.gz HZVTUZSVADFSFI-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001279182853 931133731 /nfs/dbraw/zinc/13/37/31/931133731.db2.gz MIKDXCQWYOQZBJ-LSDHHAIUSA-N 2 0 279.428 1.036 10 30 CDEERP C[C@H]1CCCN(C(=[NH2+])NCCCC[NH+]2CCOCC2)C1 ZINC000104169726 931322623 /nfs/dbraw/zinc/32/26/23/931322623.db2.gz UJLVZZNESYSYRW-AWEZNQCLSA-N 2 0 282.432 1.145 10 30 CDEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001276422308 939706362 /nfs/dbraw/zinc/70/63/62/939706362.db2.gz QHAMPSLFZLSOCO-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001276468628 939767822 /nfs/dbraw/zinc/76/78/22/939767822.db2.gz LNRPOOGQVMVWIU-CQSZACIVSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001276610743 940430119 /nfs/dbraw/zinc/43/01/19/940430119.db2.gz DEPAEFCHBNUPTC-GJZGRUSLSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001276686875 940698314 /nfs/dbraw/zinc/69/83/14/940698314.db2.gz NWDHRLHEDGQYNG-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001276751258 940973601 /nfs/dbraw/zinc/97/36/01/940973601.db2.gz OLCXBAYXSYSQTE-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001277093808 941943479 /nfs/dbraw/zinc/94/34/79/941943479.db2.gz AKMRGOCJZIZZMC-GJZGRUSLSA-N 2 0 289.423 1.265 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001281475112 942581978 /nfs/dbraw/zinc/58/19/78/942581978.db2.gz GLEOWRVFNRZBET-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001281939421 942633997 /nfs/dbraw/zinc/63/39/97/942633997.db2.gz FZAHHTPESDIHCD-LSDHHAIUSA-N 2 0 299.434 1.775 10 30 CDEERP C#CCC[N@@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001282464788 942717266 /nfs/dbraw/zinc/71/72/66/942717266.db2.gz NISXQTRHVWXDGH-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001283063284 942814769 /nfs/dbraw/zinc/81/47/69/942814769.db2.gz XKZSQCQHKWCWIV-SHTZXODSSA-N 2 0 289.423 1.123 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001263250973 943807227 /nfs/dbraw/zinc/80/72/27/943807227.db2.gz WJWYZUFWCMJDRV-QWRGUYRKSA-N 2 0 259.781 1.105 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001265005568 944197730 /nfs/dbraw/zinc/19/77/30/944197730.db2.gz BDGWQWVXNHKVIS-UHFFFAOYSA-N 2 0 298.390 1.718 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001265735230 944484665 /nfs/dbraw/zinc/48/46/65/944484665.db2.gz PRVDOSBCVZUOQS-PRLABOORSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001265822985 944526565 /nfs/dbraw/zinc/52/65/65/944526565.db2.gz BNMZDDSMARVGIA-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)C[C@H](C)n1ccnc1)C1CC1 ZINC001266162174 944724688 /nfs/dbraw/zinc/72/46/88/944724688.db2.gz TWZJNJXSVAHSPB-AWEZNQCLSA-N 2 0 288.395 1.438 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC([NH+](CC)CC)CC1 ZINC001262154905 946469920 /nfs/dbraw/zinc/46/99/20/946469920.db2.gz VWNQSFCZVDKSML-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001479271916 971283014 /nfs/dbraw/zinc/28/30/14/971283014.db2.gz QTUHRKZHZSYSRR-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001479330067 971298920 /nfs/dbraw/zinc/29/89/20/971298920.db2.gz NPSQMEAJHJEPFF-IYBDPMFKSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001479739561 971389539 /nfs/dbraw/zinc/38/95/39/971389539.db2.gz CFNZDOKCMRSHBW-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001278397418 947551234 /nfs/dbraw/zinc/55/12/34/947551234.db2.gz HHHAWKDMUDTISU-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001278926209 948265041 /nfs/dbraw/zinc/26/50/41/948265041.db2.gz DCMXDGIBEYIPJG-UHFFFAOYSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@H](c1ccccc1)N(C)C ZINC001493061161 971935755 /nfs/dbraw/zinc/93/57/55/971935755.db2.gz BAKJQOIICBUXEZ-INIZCTEOSA-N 2 0 289.423 1.913 10 30 CDEERP C#CCC[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001493150518 971961103 /nfs/dbraw/zinc/96/11/03/971961103.db2.gz DNSDYXLVNHBVHO-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001326420068 954372215 /nfs/dbraw/zinc/37/22/15/954372215.db2.gz YAMAHOUGILOKTC-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001326760934 954531775 /nfs/dbraw/zinc/53/17/75/954531775.db2.gz XHJLQERPQOLWRM-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C=C(C)CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001493434539 972048650 /nfs/dbraw/zinc/04/86/50/972048650.db2.gz ABRJXOJJWBAULW-UHFFFAOYSA-N 2 0 291.439 1.629 10 30 CDEERP CC#CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001493451435 972056473 /nfs/dbraw/zinc/05/64/73/972056473.db2.gz ZMSHFPSNQDROFC-UHFFFAOYSA-N 2 0 291.439 1.466 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001328258299 955244587 /nfs/dbraw/zinc/24/45/87/955244587.db2.gz OKYAJYGRGPGVDD-HUUCEWRRSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329102391 955686046 /nfs/dbraw/zinc/68/60/46/955686046.db2.gz DDEOKDMCYKFSLV-CHWSQXEVSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001329164320 955727126 /nfs/dbraw/zinc/72/71/26/955727126.db2.gz CEYMEUDOCOQIGK-ZIAGYGMSSA-N 2 0 293.455 1.777 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001329622695 956026467 /nfs/dbraw/zinc/02/64/67/956026467.db2.gz FJTAGYGTAXOIPZ-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001330360687 956395813 /nfs/dbraw/zinc/39/58/13/956395813.db2.gz RVBAXJDCLFRMSK-YHUYYLMFSA-N 2 0 291.439 1.198 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317154342 956986426 /nfs/dbraw/zinc/98/64/26/956986426.db2.gz VUCKIMNWNWZABU-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316948577 957144992 /nfs/dbraw/zinc/14/49/92/957144992.db2.gz HBLIQRILZDPETL-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001317027288 957211736 /nfs/dbraw/zinc/21/17/36/957211736.db2.gz PSXAIUBBPROJTB-HUUCEWRRSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001317078331 957253424 /nfs/dbraw/zinc/25/34/24/957253424.db2.gz PBQNORLSCLSBIJ-KKUMJFAQSA-N 2 0 277.412 1.121 10 30 CDEERP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001317172295 957325020 /nfs/dbraw/zinc/32/50/20/957325020.db2.gz HRNTWDOGHZUMNL-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001332121163 957440358 /nfs/dbraw/zinc/44/03/58/957440358.db2.gz XRVFORAQAGOVOG-GDBMZVCRSA-N 2 0 277.412 1.073 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317398144 957453426 /nfs/dbraw/zinc/45/34/26/957453426.db2.gz OMLZDXUMMLGPFM-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001332205578 957476347 /nfs/dbraw/zinc/47/63/47/957476347.db2.gz KVCGXHYVWRAASI-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317539977 957537295 /nfs/dbraw/zinc/53/72/95/957537295.db2.gz DPWVUSFKNDGKNZ-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317763367 957658690 /nfs/dbraw/zinc/65/86/90/957658690.db2.gz NOTUYMPKPNRRIB-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]cnc2C)C1 ZINC001317808943 957672088 /nfs/dbraw/zinc/67/20/88/957672088.db2.gz JMUMNNMKSCIJAH-AWEZNQCLSA-N 2 0 288.395 1.112 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)Cc2ncc[nH]2)C1 ZINC001317805116 957672680 /nfs/dbraw/zinc/67/26/80/957672680.db2.gz IUVALSXKJZAXKB-ZDUSSCGKSA-N 2 0 276.384 1.357 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001332881131 957914252 /nfs/dbraw/zinc/91/42/52/957914252.db2.gz GXUWRQKPECJPSC-KGLIPLIRSA-N 2 0 281.444 1.470 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001318482807 958125782 /nfs/dbraw/zinc/12/57/82/958125782.db2.gz LVUOHRPVGPHRMH-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1 ZINC001318700800 958237074 /nfs/dbraw/zinc/23/70/74/958237074.db2.gz GCPNDQXIOVXMFU-XJKCOSOUSA-N 2 0 286.379 1.021 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001319101643 958373646 /nfs/dbraw/zinc/37/36/46/958373646.db2.gz DLWPBNNZCUPNIG-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001319523886 958609797 /nfs/dbraw/zinc/60/97/97/958609797.db2.gz DABMOZXRIAYLMT-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001319777072 958723752 /nfs/dbraw/zinc/72/37/52/958723752.db2.gz DUPKNPHWMJWMEQ-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001569329512 1169767844 /nfs/dbraw/zinc/76/78/44/1169767844.db2.gz OXSOWKKVMMKCIR-HZPDHXFCSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001321113614 959600140 /nfs/dbraw/zinc/60/01/40/959600140.db2.gz ZMLUURRAKRLJPM-QDNWOOLPSA-N 2 0 289.423 1.289 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C/C=C\Cl)CC1 ZINC001322086723 960078119 /nfs/dbraw/zinc/07/81/19/960078119.db2.gz BJWOTLMFQWPHSU-IRBQFCFKSA-N 2 0 297.830 1.178 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001336198216 960242734 /nfs/dbraw/zinc/24/27/34/960242734.db2.gz IWFHUSUIPLHIOR-JYJNAYRXSA-N 2 0 293.455 1.683 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001420784686 963235610 /nfs/dbraw/zinc/23/56/10/963235610.db2.gz HKAMMVFJHHQMTK-CHWSQXEVSA-N 2 0 285.819 1.175 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)CCC[NH2+]1 ZINC001342738509 963813816 /nfs/dbraw/zinc/81/38/16/963813816.db2.gz MEONDTCTRZGJLF-KCQAQPDRSA-N 2 0 265.401 1.128 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001441296360 964454365 /nfs/dbraw/zinc/45/43/65/964454365.db2.gz JWTYSSBZNQCYCB-ZDUSSCGKSA-N 2 0 287.835 1.564 10 30 CDEERP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001569478670 1169890940 /nfs/dbraw/zinc/89/09/40/1169890940.db2.gz MDYVQYKTRNACQQ-QGZVFWFLSA-N 2 0 291.439 1.276 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001447806430 966881831 /nfs/dbraw/zinc/88/18/31/966881831.db2.gz QSUWTDOLTTXUAR-UHFFFAOYSA-N 2 0 273.808 1.175 10 30 CDEERP C=C(C)CC[NH+]1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001569492670 1169897983 /nfs/dbraw/zinc/89/79/83/1169897983.db2.gz GYSYEQZJHZZIMO-HNNXBMFYSA-N 2 0 293.455 1.970 10 30 CDEERP C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849044250 969429971 /nfs/dbraw/zinc/42/99/71/969429971.db2.gz CBZLHRCKJHIONY-MJBXVCDLSA-N 2 0 280.416 1.176 10 30 CDEERP C[NH+]=C(NCCC[N@H+](C)CC(C)C)NCc1ccco1 ZINC000849047115 969435151 /nfs/dbraw/zinc/43/51/51/969435151.db2.gz QTYCRESSODJSIS-UHFFFAOYSA-N 2 0 280.416 1.923 10 30 CDEERP C=CC[C@@H](CO)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001462157224 969670336 /nfs/dbraw/zinc/67/03/36/969670336.db2.gz KHMDUAKGCVWQHC-PCKAHOCUSA-N 2 0 282.428 1.547 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC001466437206 969954829 /nfs/dbraw/zinc/95/48/29/969954829.db2.gz UNTYTDYZJFLLSU-UHFFFAOYSA-N 2 0 265.401 1.191 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC001466679810 969986377 /nfs/dbraw/zinc/98/63/77/969986377.db2.gz SBFSTYUVLSOKDQ-KBPBESRZSA-N 2 0 297.468 1.142 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001496366197 972899921 /nfs/dbraw/zinc/89/99/21/972899921.db2.gz ATXSVSUQJWOASA-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001496645419 973007572 /nfs/dbraw/zinc/00/75/72/973007572.db2.gz UGEKCRWMNZEBOM-KGLIPLIRSA-N 2 0 267.417 1.245 10 30 CDEERP C#CC[N@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001569654618 1169955410 /nfs/dbraw/zinc/95/54/10/1169955410.db2.gz JTYRIKRLYXMIQY-INIZCTEOSA-N 2 0 277.412 1.076 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001497962601 973591743 /nfs/dbraw/zinc/59/17/43/973591743.db2.gz JVOZJHSWACNXDG-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001373901428 973681382 /nfs/dbraw/zinc/68/13/82/973681382.db2.gz RHLRHMWGMHAXSY-OAHLLOKOSA-N 2 0 299.846 1.709 10 30 CDEERP C=CCCC[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001498642335 974008944 /nfs/dbraw/zinc/00/89/44/974008944.db2.gz YJEPJBISVKJRAZ-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001498808668 974067262 /nfs/dbraw/zinc/06/72/62/974067262.db2.gz XDXACQBWEZXAEH-HZPDHXFCSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001498901075 974100575 /nfs/dbraw/zinc/10/05/75/974100575.db2.gz CDEFXCIBBQSHFM-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500549820 974448731 /nfs/dbraw/zinc/44/87/31/974448731.db2.gz GIMDFPGUOPOCOA-INIZCTEOSA-N 2 0 279.428 1.487 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001501638153 974615270 /nfs/dbraw/zinc/61/52/70/974615270.db2.gz SVEWUFLCZREMGF-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001378735008 975463409 /nfs/dbraw/zinc/46/34/09/975463409.db2.gz YDQBJERUKRXJBU-FQUUOJAGSA-N 2 0 299.846 1.373 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001507451387 975474859 /nfs/dbraw/zinc/47/48/59/975474859.db2.gz QMGWFPILQDENLC-CABCVRRESA-N 2 0 295.471 1.975 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001507950438 975571468 /nfs/dbraw/zinc/57/14/68/975571468.db2.gz FHLNMIGQYFCDEN-ZDUSSCGKSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001379024831 975603583 /nfs/dbraw/zinc/60/35/83/975603583.db2.gz NGKCUIWHZPYNBN-ZDUSSCGKSA-N 2 0 287.835 1.517 10 30 CDEERP CC#CC[NH+]1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001508167197 975624656 /nfs/dbraw/zinc/62/46/56/975624656.db2.gz YVXGDHTVFZYMCF-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001674681170 1173986645 /nfs/dbraw/zinc/98/66/45/1173986645.db2.gz PLNIAJLDDNPXOH-CHWSQXEVSA-N 2 0 267.417 1.530 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001674749437 1174003788 /nfs/dbraw/zinc/00/37/88/1174003788.db2.gz ZFKNSWOLWBCAQA-CABCVRRESA-N 2 0 293.455 1.613 10 30 CDEERP C#CCC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001674811466 1174011654 /nfs/dbraw/zinc/01/16/54/1174011654.db2.gz BVZLQHJCDYSHFN-UHFFFAOYSA-N 2 0 293.455 1.709 10 30 CDEERP CC#CC[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001675354828 1174106313 /nfs/dbraw/zinc/10/63/13/1174106313.db2.gz YSBFXEHRXQCWMB-OAHLLOKOSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001676079001 1174179032 /nfs/dbraw/zinc/17/90/32/1174179032.db2.gz FPDZKFVVDJBYTN-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001570653243 1170224631 /nfs/dbraw/zinc/22/46/31/1170224631.db2.gz OSZQCALZRWXDIV-CHWSQXEVSA-N 2 0 255.406 1.386 10 30 CDEERP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001570824897 1170287749 /nfs/dbraw/zinc/28/77/49/1170287749.db2.gz HWUHFBKMPNPSPT-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001656235139 1171798928 /nfs/dbraw/zinc/79/89/28/1171798928.db2.gz PZGJGYZSLQUMTC-KKUMJFAQSA-N 2 0 279.428 1.389 10 30 CDEERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441671 342907416 /nfs/dbraw/zinc/90/74/16/342907416.db2.gz UMANQRIGPZVIHA-KBPBESRZSA-N 2 0 280.416 1.388 10 30 CDEERP CC1CC[NH+](CCCNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594441767 342907836 /nfs/dbraw/zinc/90/78/36/342907836.db2.gz WPPIFOWGVBRYPM-HNNXBMFYSA-N 2 0 294.443 1.636 10 30 CDEERP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600716540 342244246 /nfs/dbraw/zinc/24/42/46/342244246.db2.gz YPTYNJYDFUXAFP-AWEZNQCLSA-N 2 0 265.401 1.504 10 30 CDEERP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C(C)(C)C ZINC000600723328 342245076 /nfs/dbraw/zinc/24/50/76/342245076.db2.gz KRAXLYKNEHSFTF-KGLIPLIRSA-N 2 0 281.444 1.997 10 30 CDEERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)c(OC)c2)C1 ZINC000233517112 356357671 /nfs/dbraw/zinc/35/76/71/356357671.db2.gz OPUVRVXHMBPPEE-CQSZACIVSA-N 2 0 273.380 1.998 10 30 CDEERP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528396923 367824225 /nfs/dbraw/zinc/82/42/25/367824225.db2.gz QDNOVWAOBQVKQL-KGLIPLIRSA-N 2 0 265.401 1.315 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001661235907 1172358538 /nfs/dbraw/zinc/35/85/38/1172358538.db2.gz RHJDZMPJDVDVHF-HNNXBMFYSA-N 2 0 279.428 1.439 10 30 CDEERP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001661262889 1172360252 /nfs/dbraw/zinc/36/02/52/1172360252.db2.gz XIRUBDOPWKANAT-GASCZTMLSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCC[NH2+]1 ZINC000638951289 375860554 /nfs/dbraw/zinc/86/05/54/375860554.db2.gz UOUQOIQRDJSRKV-UMVBOHGHSA-N 2 0 265.401 1.318 10 30 CDEERP C[N@H+]1C[C@@H]2C[NH+](CCCOc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193607527 375877492 /nfs/dbraw/zinc/87/74/92/375877492.db2.gz LEDSOBKNOGTDHT-IYBDPMFKSA-N 2 0 285.391 1.821 10 30 CDEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001664467117 1172857407 /nfs/dbraw/zinc/85/74/07/1172857407.db2.gz FJUMPFXOQNZGSA-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CCC[NH2+]1 ZINC000662688095 413315469 /nfs/dbraw/zinc/31/54/69/413315469.db2.gz MJGMKRDSNMEMKT-ZBFHGGJFSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001665362578 1172986948 /nfs/dbraw/zinc/98/69/48/1172986948.db2.gz FBMANRJXOGERTH-AWEZNQCLSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001665687211 1173038082 /nfs/dbraw/zinc/03/80/82/1173038082.db2.gz YXBSNSPCWUIAKC-AWEZNQCLSA-N 2 0 267.417 1.435 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659450070 413836814 /nfs/dbraw/zinc/83/68/14/413836814.db2.gz GJIVWNCFVXKKQL-UHFFFAOYSA-N 2 0 292.427 1.160 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCCC[C@H]2CO)s1 ZINC000043683952 175092011 /nfs/dbraw/zinc/09/20/11/175092011.db2.gz YEVCXWCMPZURBA-LBPRGKRZSA-N 2 0 264.394 1.405 10 30 CDEERP CCC[NH+]1CCN(Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683559 175092102 /nfs/dbraw/zinc/09/21/02/175092102.db2.gz GUNQAXQLFKGSLY-UHFFFAOYSA-N 2 0 277.437 1.586 10 30 CDEERP CN(C(=O)C[NH+]1CCC(C[NH3+])CC1)C1(C#N)CCCCC1 ZINC000044513978 175189293 /nfs/dbraw/zinc/18/92/93/175189293.db2.gz XCQQDZZXNSJKNE-UHFFFAOYSA-N 2 0 292.427 1.342 10 30 CDEERP N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044530266 175195299 /nfs/dbraw/zinc/19/52/99/175195299.db2.gz YDHVVQASQVIKSM-NSHDSACASA-N 2 0 292.408 1.619 10 30 CDEERP C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000044566214 175208557 /nfs/dbraw/zinc/20/85/57/175208557.db2.gz YLGHUBHZMDRGMD-MRXNPFEDSA-N 2 0 285.391 1.211 10 30 CDEERP [NH3+]CC#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000044679155 175228244 /nfs/dbraw/zinc/22/82/44/175228244.db2.gz MIMXUUTUWXULJH-NSHDSACASA-N 2 0 289.404 1.025 10 30 CDEERP CCN[C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190765 176068322 /nfs/dbraw/zinc/06/83/22/176068322.db2.gz UDGLDVXNXXWOLW-GJZGRUSLSA-N 2 0 266.433 1.542 10 30 CDEERP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001667439631 1173267713 /nfs/dbraw/zinc/26/77/13/1173267713.db2.gz DEVTZRUCBANLIM-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001667634031 1173302536 /nfs/dbraw/zinc/30/25/36/1173302536.db2.gz FCNQXLMWDVVZKV-LSDHHAIUSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@@H]21 ZINC001667693961 1173311686 /nfs/dbraw/zinc/31/16/86/1173311686.db2.gz KQCCZHHVVPHLIS-CABCVRRESA-N 2 0 291.439 1.437 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001668062063 1173364569 /nfs/dbraw/zinc/36/45/69/1173364569.db2.gz ZBLRLXCDJNUCRN-KGLIPLIRSA-N 2 0 267.417 1.530 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001668215209 1173382725 /nfs/dbraw/zinc/38/27/25/1173382725.db2.gz YFSBCOKQKUWHEF-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001668614537 1173432483 /nfs/dbraw/zinc/43/24/83/1173432483.db2.gz XZUAKIRFLYOKMM-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP CC(C)C[N@@H+]1CCCC[C@H]1CNC1=[NH+]CCN1C ZINC000262658992 330024973 /nfs/dbraw/zinc/02/49/73/330024973.db2.gz MKSXABSMLCJBHK-ZDUSSCGKSA-N 2 0 252.406 1.388 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001731607977 1159315588 /nfs/dbraw/zinc/31/55/88/1159315588.db2.gz IIDMLBKYLCSAPG-OAHLLOKOSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001481174802 1159547160 /nfs/dbraw/zinc/54/71/60/1159547160.db2.gz YWUZEZPSSRNAPG-OAHLLOKOSA-N 2 0 277.412 1.075 10 30 CDEERP CC(C)C[N@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608983 519708797 /nfs/dbraw/zinc/70/87/97/519708797.db2.gz VZUXUOHTXYGFDM-UHFFFAOYSA-N 2 0 260.381 1.963 10 30 CDEERP CC(C)C[NH+]1CCN(Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000055080701 519727050 /nfs/dbraw/zinc/72/70/50/519727050.db2.gz RMDWUULOJGAYFL-UHFFFAOYSA-N 2 0 291.464 1.832 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001733348170 1161293035 /nfs/dbraw/zinc/29/30/35/1161293035.db2.gz FRSWZHPYAHSEQX-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001715539852 1179709076 /nfs/dbraw/zinc/70/90/76/1179709076.db2.gz OTFQPYQABKOAIM-HUUCEWRRSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[NH+](CC=C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052376556 518768474 /nfs/dbraw/zinc/76/84/74/518768474.db2.gz NDFDVVDVZWPJDG-UHFFFAOYSA-N 2 0 277.416 1.840 10 30 CDEERP CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000049232188 519793467 /nfs/dbraw/zinc/79/34/67/519793467.db2.gz HTYMYSKCAHNYOV-MRXNPFEDSA-N 2 0 287.407 1.313 10 30 CDEERP [NH3+]CC#Cc1ccccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000049608321 527153092 /nfs/dbraw/zinc/15/30/92/527153092.db2.gz NTLGJOZWDIXCBU-CQSZACIVSA-N 2 0 258.365 1.201 10 30 CDEERP [NH3+]CC#Cc1cccc(OCC[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000049609785 527153853 /nfs/dbraw/zinc/15/38/53/527153853.db2.gz QDSNCIFDEUERFW-MRXNPFEDSA-N 2 0 288.391 1.222 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941217301 613328457 /nfs/dbraw/zinc/32/84/57/613328457.db2.gz MGBSUOMEOYNDIL-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP N#CCN1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925609438 617553723 /nfs/dbraw/zinc/55/37/23/617553723.db2.gz UCHDVLHQWVQAPD-IAGOWNOFSA-N 2 0 290.455 1.732 10 30 CDEERP C#C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCOCC1 ZINC000895434557 619660590 /nfs/dbraw/zinc/66/05/90/619660590.db2.gz BBXJTYAUVLGPBW-UYTSQGDYSA-N 2 0 262.397 1.630 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000899941204 622562586 /nfs/dbraw/zinc/56/25/86/622562586.db2.gz BKSYBCHBUCSCQK-MRXNPFEDSA-N 2 0 289.423 1.913 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000900013266 622619140 /nfs/dbraw/zinc/61/91/40/622619140.db2.gz INCYYISPKPVVTC-UHFFFAOYSA-N 2 0 281.444 1.877 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000900273992 622861113 /nfs/dbraw/zinc/86/11/13/622861113.db2.gz ICJHEDPIRYAEBM-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000901134339 623892655 /nfs/dbraw/zinc/89/26/55/623892655.db2.gz GOSRCYDNZWMJTL-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C=CCCC[N@@H+](CC)CN1C[C@H](c2cncn2C)CC1=O ZINC000902668994 625197514 /nfs/dbraw/zinc/19/75/14/625197514.db2.gz GUHGNZDZCBRNCB-CQSZACIVSA-N 2 0 290.411 1.982 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)CC[NH+]1CCCCC1 ZINC001691056689 1158852886 /nfs/dbraw/zinc/85/28/86/1158852886.db2.gz ZLTOJHJTDVPPEU-UHFFFAOYSA-N 2 0 281.444 1.877 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691322173 1159016056 /nfs/dbraw/zinc/01/60/56/1159016056.db2.gz YYRJCGPPXDLYOF-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C(C)C ZINC001691384527 1159045145 /nfs/dbraw/zinc/04/51/45/1159045145.db2.gz VCBIGIDJYJIPFH-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001691023723 1158538858 /nfs/dbraw/zinc/53/88/58/1158538858.db2.gz OZTMNAAQBVSTEC-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691180559 1158947706 /nfs/dbraw/zinc/94/77/06/1158947706.db2.gz FAVDPDIRVDGUMR-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001490805086 1164867027 /nfs/dbraw/zinc/86/70/27/1164867027.db2.gz DEBNPLVXABOBLA-GASCZTMLSA-N 2 0 279.428 1.580 10 30 CDEERP CNC(NCC1([NH+]2CCCCC2)CCCCC1)=[NH+]C ZINC000122463616 1165033787 /nfs/dbraw/zinc/03/37/87/1165033787.db2.gz CXZPQSBOXGCCOS-UHFFFAOYSA-N 2 0 266.433 1.970 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000876717212 1165899746 /nfs/dbraw/zinc/89/97/46/1165899746.db2.gz ACTLNHJPFOFBDQ-ZDUSSCGKSA-N 2 0 287.835 1.788 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001646817461 1168158170 /nfs/dbraw/zinc/15/81/70/1168158170.db2.gz JNSYWZWCWULLJZ-LLVKDONJSA-N 2 0 271.792 1.105 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001566802035 1168427262 /nfs/dbraw/zinc/42/72/62/1168427262.db2.gz IOIOCUIZSQUYDK-FVQBIDKESA-N 2 0 293.455 1.920 10 30 CDEERP N#Cc1cnccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001647243755 1168484060 /nfs/dbraw/zinc/48/40/60/1168484060.db2.gz PSGWBGAGIMLTKR-UHFFFAOYSA-N 2 0 270.380 1.919 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001566992395 1168489361 /nfs/dbraw/zinc/48/93/61/1168489361.db2.gz UYOKTPLCDVGPCZ-UHFFFAOYSA-N 2 0 279.428 1.367 10 30 CDEERP C=CCC[N@@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001567324632 1168679714 /nfs/dbraw/zinc/67/97/14/1168679714.db2.gz WBCNFNYUKYTYHH-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001567343637 1168693073 /nfs/dbraw/zinc/69/30/73/1168693073.db2.gz BEAAOSBNJBVIAS-CYBMUJFWSA-N 2 0 255.406 1.197 10 30 CDEERP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001568113589 1169138717 /nfs/dbraw/zinc/13/87/17/1169138717.db2.gz OXBQHNWECLVSNA-RBSFLKMASA-N 2 0 279.428 1.223 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001568970151 1169568904 /nfs/dbraw/zinc/56/89/04/1169568904.db2.gz TYBOZPPNSTTYAM-WLBISTCBSA-N 2 0 279.428 1.697 10 30 CDEERP C=CCCC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001569654280 1169956951 /nfs/dbraw/zinc/95/69/51/1169956951.db2.gz FMSATRYZDYRIBM-INIZCTEOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001570184022 1170104666 /nfs/dbraw/zinc/10/46/66/1170104666.db2.gz WCZDICIIQUMLHG-OAHLLOKOSA-N 2 0 297.443 1.111 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001570543545 1170185100 /nfs/dbraw/zinc/18/51/00/1170185100.db2.gz JNUTWYNUVLKOTO-OAHLLOKOSA-N 2 0 289.423 1.028 10 30 CDEERP C#CCC[NH2+][C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001571351278 1170379168 /nfs/dbraw/zinc/37/91/68/1170379168.db2.gz NPWXVSCQZBFANV-HZPDHXFCSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[C@H](O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001655066734 1171664225 /nfs/dbraw/zinc/66/42/25/1171664225.db2.gz QTNYSHRBCRUEJH-INIZCTEOSA-N 2 0 296.455 1.626 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001662711860 1172585079 /nfs/dbraw/zinc/58/50/79/1172585079.db2.gz MRQXCOJCOMBXLK-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC001583263215 1172749975 /nfs/dbraw/zinc/74/99/75/1172749975.db2.gz UPFJFNNKFCUAGI-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001672897562 1173806559 /nfs/dbraw/zinc/80/65/59/1173806559.db2.gz SJJQQKPHLSWJRE-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001676783367 1174271102 /nfs/dbraw/zinc/27/11/02/1174271102.db2.gz KRFTXRAEFGNDNE-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001676854441 1174279747 /nfs/dbraw/zinc/27/97/47/1174279747.db2.gz UBQZOVNTANJVLK-ARFHVFGLSA-N 2 0 291.439 1.177 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001690620839 1175526303 /nfs/dbraw/zinc/52/63/03/1175526303.db2.gz IEBGFVISWWWITR-ZIAGYGMSSA-N 2 0 267.417 1.224 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001698561442 1175844745 /nfs/dbraw/zinc/84/47/45/1175844745.db2.gz GBCBMQDHWIQRJN-AWEZNQCLSA-N 2 0 277.412 1.027 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001698615783 1175874016 /nfs/dbraw/zinc/87/40/16/1175874016.db2.gz HAVBDHALYKFXDX-INIZCTEOSA-N 2 0 291.439 1.226 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001698685222 1175895185 /nfs/dbraw/zinc/89/51/85/1175895185.db2.gz OTYFSFLTSVSSDI-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699403422 1176367823 /nfs/dbraw/zinc/36/78/23/1176367823.db2.gz XIEHXLNMZLGGEJ-UONOGXRCSA-N 2 0 267.417 1.530 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001699454577 1176419081 /nfs/dbraw/zinc/41/90/81/1176419081.db2.gz JFXSVHQWQPKEQC-OAHLLOKOSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001699610012 1176497670 /nfs/dbraw/zinc/49/76/70/1176497670.db2.gz MSPISLPMYGOTOW-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001699657140 1176554239 /nfs/dbraw/zinc/55/42/39/1176554239.db2.gz FVEZYCLPNOPEQV-UHFFFAOYSA-N 2 0 291.439 1.511 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001699750448 1176605362 /nfs/dbraw/zinc/60/53/62/1176605362.db2.gz CVRZLNPNHDXTQI-HRCADAONSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699751766 1176607728 /nfs/dbraw/zinc/60/77/28/1176607728.db2.gz SZGDYOHRYXRLFB-HOTGVXAUSA-N 2 0 291.439 1.485 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001699959039 1176697999 /nfs/dbraw/zinc/69/79/99/1176697999.db2.gz ZIUDZTVCSYDWNO-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001699967173 1176700536 /nfs/dbraw/zinc/70/05/36/1176700536.db2.gz GUUWELNKTSNXHN-HOCLYGCPSA-N 2 0 291.439 1.036 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001699972380 1176701978 /nfs/dbraw/zinc/70/19/78/1176701978.db2.gz YAYKOWTUOMKFMW-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001700358732 1176872898 /nfs/dbraw/zinc/87/28/98/1176872898.db2.gz YZFWHIYNJCRKRL-LSDHHAIUSA-N 2 0 279.428 1.580 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001700447622 1176932712 /nfs/dbraw/zinc/93/27/12/1176932712.db2.gz GXKANKUDLVZTCK-OAHLLOKOSA-N 2 0 293.455 1.426 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001700902699 1177188709 /nfs/dbraw/zinc/18/87/09/1177188709.db2.gz QZEKMUYAVGLIQB-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001707055349 1177927436 /nfs/dbraw/zinc/92/74/36/1177927436.db2.gz ZNQFQLQHONMERM-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001707255145 1177984275 /nfs/dbraw/zinc/98/42/75/1177984275.db2.gz IEFPKUKXKQLFAF-KGLIPLIRSA-N 2 0 279.428 1.626 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001707269455 1177985699 /nfs/dbraw/zinc/98/56/99/1177985699.db2.gz YWOMPRGCIHPXEM-GJZGRUSLSA-N 2 0 277.412 1.027 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001713052722 1178332112 /nfs/dbraw/zinc/33/21/12/1178332112.db2.gz IRIXUWXFSOWUMB-HNNXBMFYSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001713217602 1178439751 /nfs/dbraw/zinc/43/97/51/1178439751.db2.gz FQXAUJITIHBOQI-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713381418 1178528824 /nfs/dbraw/zinc/52/88/24/1178528824.db2.gz JLGHCUUZDBQQKY-HOTGVXAUSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001713477919 1178594542 /nfs/dbraw/zinc/59/45/42/1178594542.db2.gz JCMYYAUQXKVQQY-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713734139 1178728950 /nfs/dbraw/zinc/72/89/50/1178728950.db2.gz CSFMPUGULNDYSA-JKSUJKDBSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001714050085 1178946201 /nfs/dbraw/zinc/94/62/01/1178946201.db2.gz MYTYSUAKVUUUFI-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001714153083 1178993243 /nfs/dbraw/zinc/99/32/43/1178993243.db2.gz YKWFXKAWCSVKLQ-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714261395 1179052489 /nfs/dbraw/zinc/05/24/89/1179052489.db2.gz HOVLWPBOYAXNIU-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001714408621 1179126364 /nfs/dbraw/zinc/12/63/64/1179126364.db2.gz VIQUVWOLCKHBNY-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001714417230 1179129978 /nfs/dbraw/zinc/12/99/78/1179129978.db2.gz JQIGJUZRTNAIQL-GJZGRUSLSA-N 2 0 279.428 1.675 10 30 CDEERP C#CCC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001714828369 1179412378 /nfs/dbraw/zinc/41/23/78/1179412378.db2.gz HYOCDQXXINDOEL-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001714894305 1179442194 /nfs/dbraw/zinc/44/21/94/1179442194.db2.gz GDTWBKSXIDKJNT-CABCVRRESA-N 2 0 299.434 1.633 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001715518527 1179695861 /nfs/dbraw/zinc/69/58/61/1179695861.db2.gz DIZAZTZASKUWJE-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=CCCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715826954 1179854244 /nfs/dbraw/zinc/85/42/44/1179854244.db2.gz HICHOZYZYLZRBM-HUUCEWRRSA-N 2 0 281.444 1.683 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001716154212 1180075238 /nfs/dbraw/zinc/07/52/38/1180075238.db2.gz VQKWPEZPJLZFJU-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001716377986 1180173637 /nfs/dbraw/zinc/17/36/37/1180173637.db2.gz DQPPUGURURKPTH-XEVLESSRSA-N 2 0 279.428 1.697 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCCC)CC1 ZINC001716466341 1180226465 /nfs/dbraw/zinc/22/64/65/1180226465.db2.gz XIHOHONFYATSLT-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001716519926 1180263889 /nfs/dbraw/zinc/26/38/89/1180263889.db2.gz IEFJSIUIWKWHJB-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001716877504 1180450539 /nfs/dbraw/zinc/45/05/39/1180450539.db2.gz ATHSSKHMHJBOGL-MRXNPFEDSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001717373587 1180636478 /nfs/dbraw/zinc/63/64/78/1180636478.db2.gz INRXZIKZOAFCNM-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001717560952 1180739737 /nfs/dbraw/zinc/73/97/37/1180739737.db2.gz XXDCRKBVVAKAPO-ZFWWWQNUSA-N 2 0 279.428 1.032 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001717649540 1180773066 /nfs/dbraw/zinc/77/30/66/1180773066.db2.gz ORFZGWFFPXRRMK-BZUAXINKSA-N 2 0 293.455 1.920 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001717686388 1180790996 /nfs/dbraw/zinc/79/09/96/1180790996.db2.gz BHSCIQGVPZQQCW-JKSUJKDBSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001717738598 1180819857 /nfs/dbraw/zinc/81/98/57/1180819857.db2.gz PWWURHNXKXNVFH-KKUMJFAQSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001717855862 1180895901 /nfs/dbraw/zinc/89/59/01/1180895901.db2.gz LMZNIDHZCASNSR-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001717886989 1180913909 /nfs/dbraw/zinc/91/39/09/1180913909.db2.gz KAHBAIYETGXGFY-HZPDHXFCSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001724239494 1181657240 /nfs/dbraw/zinc/65/72/40/1181657240.db2.gz LZHHBGWIZQUXGU-INIZCTEOSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001724556360 1181694673 /nfs/dbraw/zinc/69/46/73/1181694673.db2.gz XRVKZELHAWGRAY-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001724704576 1181730481 /nfs/dbraw/zinc/73/04/81/1181730481.db2.gz BVNBPEBVEHDMRM-BZUAXINKSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001725137826 1181880435 /nfs/dbraw/zinc/88/04/35/1181880435.db2.gz WJVIKUMUXVDNAK-FHERZECASA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001725234146 1181931156 /nfs/dbraw/zinc/93/11/56/1181931156.db2.gz LPRWEHDNHSONTH-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001725360762 1181973898 /nfs/dbraw/zinc/97/38/98/1181973898.db2.gz ZSZWSSUEPCBFJH-SHTZXODSSA-N 2 0 291.439 1.533 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001725458421 1182008154 /nfs/dbraw/zinc/00/81/54/1182008154.db2.gz YAAUJJOBIIFXBT-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001725612528 1182072149 /nfs/dbraw/zinc/07/21/49/1182072149.db2.gz XWJQSYGLVGJBLZ-PBHICJAKSA-N 2 0 291.439 1.627 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001731530726 1182437759 /nfs/dbraw/zinc/43/77/59/1182437759.db2.gz LNKPASNHBJYTIJ-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001731770832 1182565871 /nfs/dbraw/zinc/56/58/71/1182565871.db2.gz CRWZJCYYRSZVGT-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001731878804 1182648048 /nfs/dbraw/zinc/64/80/48/1182648048.db2.gz ZVTNTTUWQZJLGL-UHFFFAOYSA-N 2 0 291.439 1.772 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001732049354 1182740869 /nfs/dbraw/zinc/74/08/69/1182740869.db2.gz QIXMULFILUVUBJ-CABCVRRESA-N 2 0 297.418 1.128 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001732078751 1182754994 /nfs/dbraw/zinc/75/49/94/1182754994.db2.gz BEJTWFONFGODOC-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001732237599 1182875285 /nfs/dbraw/zinc/87/52/85/1182875285.db2.gz NUWSTRXZCNHPSJ-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001732489156 1182987321 /nfs/dbraw/zinc/98/73/21/1182987321.db2.gz STSGISMUWLDRBH-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001732524930 1182995877 /nfs/dbraw/zinc/99/58/77/1182995877.db2.gz OSMNGPJOPZNLJL-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001732557917 1183008261 /nfs/dbraw/zinc/00/82/61/1183008261.db2.gz YBUMMBSOYDKICQ-KBPBESRZSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001733108715 1183294498 /nfs/dbraw/zinc/29/44/98/1183294498.db2.gz ULRBONNAQUCJLU-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001733146269 1183307198 /nfs/dbraw/zinc/30/71/98/1183307198.db2.gz GWVIERIANUUTQQ-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001733347949 1183405420 /nfs/dbraw/zinc/40/54/20/1183405420.db2.gz FEVLPMFPZZOGNQ-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001733943354 1183578737 /nfs/dbraw/zinc/57/87/37/1183578737.db2.gz JIKGKWSSWBONHW-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001734242545 1183702031 /nfs/dbraw/zinc/70/20/31/1183702031.db2.gz WRGRBCCSOSMING-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C[C@@H](COC(=O)[C@@H]1CC2CC[N+]1(C)CC2)[N+](C)(C)C ZINC000005735181 717100864 /nfs/dbraw/zinc/10/08/64/717100864.db2.gz RBRODONAZYQAJP-PEUXKQIOSA-N 2 0 270.417 1.253 10 30 CDEERP C=CCCCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020369 1165133658 /nfs/dbraw/zinc/13/36/58/1165133658.db2.gz OBYOSDOXCAMFBQ-HUUCEWRRSA-N 2 0 281.444 1.541 10 30 CDEERP C#CCC1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCCC1 ZINC000933267345 784749478 /nfs/dbraw/zinc/74/94/78/784749478.db2.gz FTPLLRGZVNKYBF-HNNXBMFYSA-N 2 0 264.413 1.759 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000876878132 785323586 /nfs/dbraw/zinc/32/35/86/785323586.db2.gz RVVZLAFQMCXMKO-BPCQOVAHSA-N 2 0 287.835 1.693 10 30 CDEERP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000863551016 785850567 /nfs/dbraw/zinc/85/05/67/785850567.db2.gz HOEJUIPCEHOYRK-CQSZACIVSA-N 2 0 279.428 1.894 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000876541906 785936402 /nfs/dbraw/zinc/93/64/02/785936402.db2.gz LSPUNASTSCQGDA-QWRGUYRKSA-N 2 0 261.797 1.288 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000876883159 786343421 /nfs/dbraw/zinc/34/34/21/786343421.db2.gz ARCHPQNMPVZLAH-NWDGAFQWSA-N 2 0 273.808 1.399 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000876844415 787371133 /nfs/dbraw/zinc/37/11/33/787371133.db2.gz ZTLQGRLTHRELBT-AWEZNQCLSA-N 2 0 295.814 1.486 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000876827128 787875769 /nfs/dbraw/zinc/87/57/69/787875769.db2.gz LOTVOQCEOAHEQY-CYBMUJFWSA-N 2 0 279.771 1.376 10 30 CDEERP C#C[C@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@@H](C#C)C2)C1 ZINC000847021749 788393252 /nfs/dbraw/zinc/39/32/52/788393252.db2.gz OMDZRBRCHKMENS-HDICACEKSA-N 2 0 288.435 1.693 10 30 CDEERP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315439 788864552 /nfs/dbraw/zinc/86/45/52/788864552.db2.gz MHWIDZSIQQFVQY-HOCLYGCPSA-N 2 0 277.412 1.459 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000922533233 789819237 /nfs/dbraw/zinc/81/92/37/789819237.db2.gz OXTOEVGPNDXHJS-CQSZACIVSA-N 2 0 294.443 1.112 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001570985287 1167586877 /nfs/dbraw/zinc/58/68/77/1167586877.db2.gz ABVQCLGZXLGBCC-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566871613 1168453482 /nfs/dbraw/zinc/45/34/82/1168453482.db2.gz HEWRKYKLCDXEIS-CVEARBPZSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001566881402 1168455704 /nfs/dbraw/zinc/45/57/04/1168455704.db2.gz ROBPXADIIPRGGF-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001483791433 915069512 /nfs/dbraw/zinc/06/95/12/915069512.db2.gz ZTVRZJSUGUJOFG-UHFFFAOYSA-N 2 0 279.428 1.677 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266285415 894124573 /nfs/dbraw/zinc/12/45/73/894124573.db2.gz XVFGRIRQQRYANT-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001266458841 894974817 /nfs/dbraw/zinc/97/48/17/894974817.db2.gz DJAZXGHTKPXIJY-CQSZACIVSA-N 2 0 290.411 1.699 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001266562183 895372832 /nfs/dbraw/zinc/37/28/32/895372832.db2.gz POPAUSSXSPDNSF-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001266622130 895613337 /nfs/dbraw/zinc/61/33/37/895613337.db2.gz QXPJLNQQMXGYLH-UHFFFAOYSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266986862 896501928 /nfs/dbraw/zinc/50/19/28/896501928.db2.gz DHYAGNDNACMXLP-QWHCGFSZSA-N 2 0 255.406 1.243 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267012608 896552628 /nfs/dbraw/zinc/55/26/28/896552628.db2.gz VMLYHEFJIYBWRB-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001267315116 897567136 /nfs/dbraw/zinc/56/71/36/897567136.db2.gz YNWWDUQBNFPYPY-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267557482 898353558 /nfs/dbraw/zinc/35/35/58/898353558.db2.gz GBCWVAYKLOXGFI-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH+]1CC[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267567436 898389099 /nfs/dbraw/zinc/38/90/99/898389099.db2.gz CEKLNTHEYTYBJR-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001267585412 898565801 /nfs/dbraw/zinc/56/58/01/898565801.db2.gz VJOUCAGUEMOMPN-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001483972015 915246098 /nfs/dbraw/zinc/24/60/98/915246098.db2.gz ZASFCCTYLCBPOU-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001267815835 899801201 /nfs/dbraw/zinc/80/12/01/899801201.db2.gz RFYSLLKDAMFPFH-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268002666 900249481 /nfs/dbraw/zinc/24/94/81/900249481.db2.gz BZVOIVHVWUEMJO-CZUORRHYSA-N 2 0 297.418 1.174 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268104580 901297002 /nfs/dbraw/zinc/29/70/02/901297002.db2.gz JMFGGNQTGMPLKL-KBPBESRZSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](CC)[NH+](C)C ZINC001268112520 901319231 /nfs/dbraw/zinc/31/92/31/901319231.db2.gz VXIHGICXPLIIDJ-KGLIPLIRSA-N 2 0 267.417 1.080 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001268142666 901397875 /nfs/dbraw/zinc/39/78/75/901397875.db2.gz QKFGYINUAPSGNY-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)CC[NH+]1CCCCC1)C(C)C ZINC001268228408 901607982 /nfs/dbraw/zinc/60/79/82/901607982.db2.gz WALXSLCUCFFSFH-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001481768301 902099706 /nfs/dbraw/zinc/09/97/06/902099706.db2.gz NFYUXBFZABPVGO-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567832484 1169003870 /nfs/dbraw/zinc/00/38/70/1169003870.db2.gz QEEAAWPMJCJSDA-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001270193780 904430291 /nfs/dbraw/zinc/43/02/91/904430291.db2.gz MIOXBXZDRNVAAT-QGZVFWFLSA-N 2 0 299.418 1.576 10 30 CDEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC)CC1 ZINC001270358055 904559472 /nfs/dbraw/zinc/55/94/72/904559472.db2.gz DFHDFCCTXIQIOK-OAHLLOKOSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482282560 904561978 /nfs/dbraw/zinc/56/19/78/904561978.db2.gz AHJVIDWHATZAIN-RRFJBIMHSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001270566850 904740222 /nfs/dbraw/zinc/74/02/22/904740222.db2.gz DLYYLCZRSGUMLX-UONOGXRCSA-N 2 0 267.417 1.246 10 30 CDEERP CC#CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001270643196 904865574 /nfs/dbraw/zinc/86/55/74/904865574.db2.gz SJAOTSIWMWTDQU-KRWDZBQOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001483772657 914862781 /nfs/dbraw/zinc/86/27/81/914862781.db2.gz BTPCVFGQBDZVPP-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001271128870 905745422 /nfs/dbraw/zinc/74/54/22/905745422.db2.gz IZCOKKYZDNADOQ-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001271658756 906575044 /nfs/dbraw/zinc/57/50/44/906575044.db2.gz CCUXWAWZNUAASK-GJZGRUSLSA-N 2 0 281.444 1.588 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001273577834 921396177 /nfs/dbraw/zinc/39/61/77/921396177.db2.gz GCTMUBUSJFOBLI-UHFFFAOYSA-N 2 0 290.411 1.491 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001482694326 908284747 /nfs/dbraw/zinc/28/47/47/908284747.db2.gz DOUYWPMWPLYHRO-HZPDHXFCSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001483135718 909778957 /nfs/dbraw/zinc/77/89/57/909778957.db2.gz OXQQOLHDRPXJRU-GDBMZVCRSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483135556 909779454 /nfs/dbraw/zinc/77/94/54/909779454.db2.gz IWTZUQNNCOXFQX-ZIAGYGMSSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001483143496 909805315 /nfs/dbraw/zinc/80/53/15/909805315.db2.gz KKDVPYYIVLQAPP-ZIAGYGMSSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[N@H+]1CC[C@@](C)(NC(=O)Cn2ccnc2C(C)C)C1 ZINC001484060484 915360039 /nfs/dbraw/zinc/36/00/39/915360039.db2.gz JOUVOLCGAAPUFO-MRXNPFEDSA-N 2 0 290.411 1.773 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001484941836 916300778 /nfs/dbraw/zinc/30/07/78/916300778.db2.gz LCKCEWBOYBJFOW-KBPBESRZSA-N 2 0 279.428 1.177 10 30 CDEERP CC[NH+](CC)CCNC(=[NH2+])NCCc1cccs1 ZINC000303694515 935040419 /nfs/dbraw/zinc/04/04/19/935040419.db2.gz CXXPTXYLWUFAKH-UHFFFAOYSA-N 2 0 268.430 1.537 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001485094755 916508269 /nfs/dbraw/zinc/50/82/69/916508269.db2.gz UIVQFXMFWOHUMN-UYSNPLJNSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001485323839 916840889 /nfs/dbraw/zinc/84/08/89/916840889.db2.gz VBZBYMPNDMPPGF-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001485792586 917293021 /nfs/dbraw/zinc/29/30/21/917293021.db2.gz LVLMDGYRMXLOAC-HUUCEWRRSA-N 2 0 281.444 1.635 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485915409 920571366 /nfs/dbraw/zinc/57/13/66/920571366.db2.gz XEOCREOPBVACFJ-ILXRZTDVSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001486209919 920820387 /nfs/dbraw/zinc/82/03/87/920820387.db2.gz FEWYWLGELVTGAL-STQMWFEESA-N 2 0 287.835 1.565 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001486241019 920836802 /nfs/dbraw/zinc/83/68/02/920836802.db2.gz RRCHXSMGCJHNOF-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001273554039 920844544 /nfs/dbraw/zinc/84/45/44/920844544.db2.gz LYLPZZTVFWQBRN-HOTGVXAUSA-N 2 0 293.455 1.520 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001486424402 920996180 /nfs/dbraw/zinc/99/61/80/920996180.db2.gz SKFKIIFGHINCBI-ZIAGYGMSSA-N 2 0 279.428 1.082 10 30 CDEERP C#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001490983726 936837323 /nfs/dbraw/zinc/83/73/23/936837323.db2.gz PGAYAAYIXOIAKM-HZPDHXFCSA-N 2 0 291.439 1.273 10 30 CDEERP C=CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001491220663 936878765 /nfs/dbraw/zinc/87/87/65/936878765.db2.gz HKJPQWBNNHXQMX-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001568417242 1169278868 /nfs/dbraw/zinc/27/88/68/1169278868.db2.gz UMXNHLYVRHVNLZ-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494869251 925960413 /nfs/dbraw/zinc/96/04/13/925960413.db2.gz SIOHZGNELZNFJN-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001490711653 927296673 /nfs/dbraw/zinc/29/66/73/927296673.db2.gz ZNZWOJZOAMDWNY-FZMZJTMJSA-N 2 0 299.846 1.565 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)CCC[NH+]1CCCC1)C(C)C ZINC001568470938 1169303260 /nfs/dbraw/zinc/30/32/60/1169303260.db2.gz YPBXWTFDHBJGLA-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001318559565 931018502 /nfs/dbraw/zinc/01/85/02/931018502.db2.gz WRJZPWASJLZCBQ-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001275681423 931955754 /nfs/dbraw/zinc/95/57/54/931955754.db2.gz RUEHFKOATOULNE-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC001118383421 937622014 /nfs/dbraw/zinc/62/20/14/937622014.db2.gz GVQJENSTLLBAED-MGPQQGTHSA-N 2 0 280.416 1.387 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001276333803 935017030 /nfs/dbraw/zinc/01/70/30/935017030.db2.gz XBZRZHDKZDWFHM-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001276656369 940615278 /nfs/dbraw/zinc/61/52/78/940615278.db2.gz NUMDVVTURKTKQO-HIFRSBDPSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001276737921 940932765 /nfs/dbraw/zinc/93/27/65/940932765.db2.gz NAKGQKFRMPSJQO-LVQVYYBASA-N 2 0 293.455 1.443 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001568751097 1169462870 /nfs/dbraw/zinc/46/28/70/1169462870.db2.gz HUCQHUMZLCBSQJ-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001281957012 942637153 /nfs/dbraw/zinc/63/71/53/942637153.db2.gz OINGBNCSNDLRNA-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCC)CC1 ZINC001282497984 942723767 /nfs/dbraw/zinc/72/37/67/942723767.db2.gz UTSSFTNFAIILCH-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001282646557 942735664 /nfs/dbraw/zinc/73/56/64/942735664.db2.gz FBFMBTIIJZIPQV-JYJNAYRXSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316622271 942755093 /nfs/dbraw/zinc/75/50/93/942755093.db2.gz XONGFTCQJXPXIS-OKILXGFUSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001283061784 942815236 /nfs/dbraw/zinc/81/52/36/942815236.db2.gz FXTZUPSBBLCQOK-JYJNAYRXSA-N 2 0 293.455 1.777 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001283554790 942932514 /nfs/dbraw/zinc/93/25/14/942932514.db2.gz FWCLAQPZMGMEEZ-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001284003914 943042635 /nfs/dbraw/zinc/04/26/35/943042635.db2.gz MVKBQQKZGIJQND-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C[NH+](C)CCCN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001362158995 970957742 /nfs/dbraw/zinc/95/77/42/970957742.db2.gz HFFCTCFYWDFIFD-CQSZACIVSA-N 2 0 298.406 1.114 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001284026000 943052854 /nfs/dbraw/zinc/05/28/54/943052854.db2.gz NTIGUFRRJSMLKL-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001284616282 943228111 /nfs/dbraw/zinc/22/81/11/943228111.db2.gz BRPQXQYUYRCHJT-SOUVJXGZSA-N 2 0 293.455 1.470 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001264012261 944063337 /nfs/dbraw/zinc/06/33/37/944063337.db2.gz KFBSQXINCHKQMM-AWEZNQCLSA-N 2 0 269.433 1.731 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001264169318 944090729 /nfs/dbraw/zinc/09/07/29/944090729.db2.gz BWJZJDVIKDEODM-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001265235620 944291997 /nfs/dbraw/zinc/29/19/97/944291997.db2.gz SSTWAKGROZWCDM-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001265361825 944359282 /nfs/dbraw/zinc/35/92/82/944359282.db2.gz CPZOMRIEPFYAMU-AWEZNQCLSA-N 2 0 277.412 1.285 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001265673514 944465826 /nfs/dbraw/zinc/46/58/26/944465826.db2.gz HIAWCDUSEURFOH-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001265682775 944468357 /nfs/dbraw/zinc/46/83/57/944468357.db2.gz YESYHEXTCALKGP-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001265987142 944616889 /nfs/dbraw/zinc/61/68/89/944616889.db2.gz UIXSZBLEGSRXOE-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001266117708 944693100 /nfs/dbraw/zinc/69/31/00/944693100.db2.gz ZCHJSNVNCJBOMJ-HNNXBMFYSA-N 2 0 289.423 1.028 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001266183478 944739023 /nfs/dbraw/zinc/73/90/23/944739023.db2.gz GBUFODKXMDDXPI-OAHLLOKOSA-N 2 0 299.434 1.775 10 30 CDEERP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001261283002 946037113 /nfs/dbraw/zinc/03/71/13/946037113.db2.gz BFUIBIRYDQFQKV-INIZCTEOSA-N 2 0 291.439 1.439 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001479471107 971330703 /nfs/dbraw/zinc/33/07/03/971330703.db2.gz JWRJODQUHADIDO-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001479528028 971337658 /nfs/dbraw/zinc/33/76/58/971337658.db2.gz YEYYVDVIHLEUQL-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001479733555 971386727 /nfs/dbraw/zinc/38/67/27/971386727.db2.gz XABWDANPZYNXHZ-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001279026903 948615358 /nfs/dbraw/zinc/61/53/58/948615358.db2.gz YLWRDVJALQLJSI-UKRRQHHQSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001278612828 950457699 /nfs/dbraw/zinc/45/76/99/950457699.db2.gz GTUSEHUIWZAVMW-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001480320456 971671511 /nfs/dbraw/zinc/67/15/11/971671511.db2.gz XZSMJPBZAPHUIG-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001495560594 972537546 /nfs/dbraw/zinc/53/75/46/972537546.db2.gz LNPVTGNNCDQJFP-CABCVRRESA-N 2 0 299.434 1.823 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480679605 971834911 /nfs/dbraw/zinc/83/49/11/971834911.db2.gz PLFYYIYTRKZQQB-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001480775657 971874287 /nfs/dbraw/zinc/87/42/87/971874287.db2.gz HAIMQYXKTOOHGA-ZDUSSCGKSA-N 2 0 265.401 1.285 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001493028598 971926642 /nfs/dbraw/zinc/92/66/42/971926642.db2.gz NVIUZNQNKRTPHT-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001493028596 971927122 /nfs/dbraw/zinc/92/71/22/971927122.db2.gz NVIUZNQNKRTPHT-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001324648080 953495046 /nfs/dbraw/zinc/49/50/46/953495046.db2.gz SJWHXBHZSOGBHB-GDBMZVCRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001493182508 971973149 /nfs/dbraw/zinc/97/31/49/971973149.db2.gz IHFAVLDDEQRJBD-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2ccnc2C)C1 ZINC001325465022 953915724 /nfs/dbraw/zinc/91/57/24/953915724.db2.gz DTJCARFACPZZFC-ZFWWWQNUSA-N 2 0 290.411 1.594 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001325597229 953979482 /nfs/dbraw/zinc/97/94/82/953979482.db2.gz CBOSALXAZCCATN-LSDHHAIUSA-N 2 0 281.444 1.587 10 30 CDEERP C=CC[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001327258882 954796827 /nfs/dbraw/zinc/79/68/27/954796827.db2.gz VIWLSQQTUTXYLH-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001316666875 955292413 /nfs/dbraw/zinc/29/24/13/955292413.db2.gz OEDXSMWWUDJGNB-LSDHHAIUSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001491834225 955459158 /nfs/dbraw/zinc/45/91/58/955459158.db2.gz CGFFVBBAZVUWPH-AWEZNQCLSA-N 2 0 281.444 1.588 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001328858866 955515938 /nfs/dbraw/zinc/51/59/38/955515938.db2.gz FADBVILBXDQLCU-GPANFISMSA-N 2 0 291.439 1.367 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001491932267 955530718 /nfs/dbraw/zinc/53/07/18/955530718.db2.gz GYOFFBYJPHWTIU-OAHLLOKOSA-N 2 0 291.439 1.417 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001329032532 955640773 /nfs/dbraw/zinc/64/07/73/955640773.db2.gz GLBSGHAEKOIJKB-ZIAGYGMSSA-N 2 0 279.428 1.367 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001493846342 972124854 /nfs/dbraw/zinc/12/48/54/972124854.db2.gz FJPOOFVMHCPNOS-GFCCVEGCSA-N 2 0 288.395 1.111 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001329485773 955943694 /nfs/dbraw/zinc/94/36/94/955943694.db2.gz DNARFMAADNCWCW-GFCCVEGCSA-N 2 0 284.363 1.326 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001329860575 956148164 /nfs/dbraw/zinc/14/81/64/956148164.db2.gz GDDUDZOHUCDSHI-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCN1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001330087432 956271269 /nfs/dbraw/zinc/27/12/69/956271269.db2.gz YZOVUAUFADWFIO-GDBMZVCRSA-N 2 0 291.439 1.177 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001494119294 972177892 /nfs/dbraw/zinc/17/78/92/972177892.db2.gz JEQHJJWQHBFXGQ-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001330599981 956506302 /nfs/dbraw/zinc/50/63/02/956506302.db2.gz VWLKGJWPPKXLLP-JYJNAYRXSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001317058193 957234730 /nfs/dbraw/zinc/23/47/30/957234730.db2.gz UTRRFKXXDJTWHY-LSDHHAIUSA-N 2 0 279.428 1.626 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317113765 957279774 /nfs/dbraw/zinc/27/97/74/957279774.db2.gz PIZQKTCDDMWCIE-OWCLPIDISA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001317145141 957302442 /nfs/dbraw/zinc/30/24/42/957302442.db2.gz XGVQKIUPTGMHOQ-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001332121164 957440568 /nfs/dbraw/zinc/44/05/68/957440568.db2.gz XRVFORAQAGOVOG-GOEBONIOSA-N 2 0 277.412 1.073 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001317421262 957464102 /nfs/dbraw/zinc/46/41/02/957464102.db2.gz ABICVKMCBNDGRT-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001332217114 957480649 /nfs/dbraw/zinc/48/06/49/957480649.db2.gz GJAZOSWHECSGHP-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001333115826 958079989 /nfs/dbraw/zinc/07/99/89/958079989.db2.gz DMVDQWSSWAUFAZ-UYSNPLJNSA-N 2 0 293.455 1.709 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001318446636 958105300 /nfs/dbraw/zinc/10/53/00/958105300.db2.gz WOSWMFLJWXRFNY-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001494862018 972325769 /nfs/dbraw/zinc/32/57/69/972325769.db2.gz GPVDGIDTTWWECN-OLZOCXBDSA-N 2 0 253.390 1.045 10 30 CDEERP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001318727793 958245436 /nfs/dbraw/zinc/24/54/36/958245436.db2.gz MZMYIAMLAZCRKM-CZUORRHYSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001569302737 1169754971 /nfs/dbraw/zinc/75/49/71/1169754971.db2.gz BBLIXBBYPGZIRO-HZPDHXFCSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001495003127 972371529 /nfs/dbraw/zinc/37/15/29/972371529.db2.gz QIYOPGNPPMUZJL-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001320020230 958869249 /nfs/dbraw/zinc/86/92/49/958869249.db2.gz GZABDFHMIYRCRJ-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001321057138 959564795 /nfs/dbraw/zinc/56/47/95/959564795.db2.gz NMGLFVWUSQRGMN-NFAHFFEMSA-N 2 0 279.428 1.697 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001321417279 959776491 /nfs/dbraw/zinc/77/64/91/959776491.db2.gz QFLRSNOVTXJRNE-WLBISTCBSA-N 2 0 277.412 1.145 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001495430316 972497351 /nfs/dbraw/zinc/49/73/51/972497351.db2.gz JTNOMOXBNIKMEV-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]C(C)C)C2CC2)CC1 ZINC001323112746 960465032 /nfs/dbraw/zinc/46/50/32/960465032.db2.gz KQRJEFDLHZBZDC-INIZCTEOSA-N 2 0 291.439 1.224 10 30 CDEERP C#CCC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001324343781 961316023 /nfs/dbraw/zinc/31/60/23/961316023.db2.gz TXXBPGQELACVKY-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001420014180 962344350 /nfs/dbraw/zinc/34/43/50/962344350.db2.gz LMQHQPHKQDOICS-ZDUSSCGKSA-N 2 0 287.835 1.517 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001421252835 963519831 /nfs/dbraw/zinc/51/98/31/963519831.db2.gz JZWRXPLTMYPKBQ-OAHLLOKOSA-N 2 0 299.846 1.663 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001343015955 963884807 /nfs/dbraw/zinc/88/48/07/963884807.db2.gz XOMUIKUBIIGXFO-OBJOEFQTSA-N 2 0 251.374 1.010 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC001355339712 969130393 /nfs/dbraw/zinc/13/03/93/969130393.db2.gz QCQSMAMHRDMGEB-YDHLFZDLSA-N 2 0 265.401 1.400 10 30 CDEERP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001496781653 973092776 /nfs/dbraw/zinc/09/27/76/973092776.db2.gz XEDINMLHLCMRIL-HNNXBMFYSA-N 2 0 281.444 1.520 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001497475126 973361617 /nfs/dbraw/zinc/36/16/17/973361617.db2.gz XLJREARLOHVVCA-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497663912 973454798 /nfs/dbraw/zinc/45/47/98/973454798.db2.gz WIMFNQRDEWLHOQ-BEVHLOIGSA-N 2 0 265.401 1.165 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001374206274 973808234 /nfs/dbraw/zinc/80/82/34/973808234.db2.gz NIMXGFSDGJZRQA-RYUDHWBXSA-N 2 0 273.808 1.270 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001498821521 974070220 /nfs/dbraw/zinc/07/02/20/974070220.db2.gz NUZDOWUFUGCEIW-ZIAGYGMSSA-N 2 0 267.417 1.243 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCCC ZINC001498998676 974155971 /nfs/dbraw/zinc/15/59/71/974155971.db2.gz QIGKFKIWDDVHDC-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001499261925 974222831 /nfs/dbraw/zinc/22/28/31/974222831.db2.gz RIWPEYXWKOGOIY-CABCVRRESA-N 2 0 291.439 1.818 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001500356733 974427102 /nfs/dbraw/zinc/42/71/02/974427102.db2.gz YGAYZZRRIQICGA-GOEBONIOSA-N 2 0 279.428 1.034 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001501147430 974542361 /nfs/dbraw/zinc/54/23/61/974542361.db2.gz XYBWIFQXPDXGND-KBPBESRZSA-N 2 0 267.417 1.198 10 30 CDEERP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001501404562 974577917 /nfs/dbraw/zinc/57/79/17/974577917.db2.gz SJQWBSWIKIAQFL-HUUCEWRRSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001501404563 974579419 /nfs/dbraw/zinc/57/94/19/974579419.db2.gz SJQWBSWIKIAQFL-LSDHHAIUSA-N 2 0 279.428 1.580 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001502510874 974745902 /nfs/dbraw/zinc/74/59/02/974745902.db2.gz GYDQHYVKVDNBBT-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001502795314 974785060 /nfs/dbraw/zinc/78/50/60/974785060.db2.gz HNKQRJSDYDOLDC-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001502810015 974788450 /nfs/dbraw/zinc/78/84/50/974788450.db2.gz SPTIXTRXSXAJDJ-GJZGRUSLSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001505643797 974948892 /nfs/dbraw/zinc/94/88/92/974948892.db2.gz BZRUFBUPEJFCEM-QWHCGFSZSA-N 2 0 299.846 1.850 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001505736398 974976494 /nfs/dbraw/zinc/97/64/94/974976494.db2.gz SNOVWWVALVBORE-VXGBXAGGSA-N 2 0 275.824 1.564 10 30 CDEERP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001506744994 975213955 /nfs/dbraw/zinc/21/39/55/975213955.db2.gz CKKAVMZKMTUGOX-HUUCEWRRSA-N 2 0 293.455 1.423 10 30 CDEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507029667 975299662 /nfs/dbraw/zinc/29/96/62/975299662.db2.gz XNTRRQRFKNUIJU-HOCLYGCPSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001507072768 975324417 /nfs/dbraw/zinc/32/44/17/975324417.db2.gz JUMZTYNLIDBGJX-HNNXBMFYSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001507418736 975462567 /nfs/dbraw/zinc/46/25/67/975462567.db2.gz JCJUQXXXVLZWAE-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001393052206 977688335 /nfs/dbraw/zinc/68/83/35/977688335.db2.gz REEZXLRBGQESAT-UONOGXRCSA-N 2 0 299.846 1.804 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001674233529 1173925911 /nfs/dbraw/zinc/92/59/11/1173925911.db2.gz RJQUBSMNTJTTBG-XJKSGUPXSA-N 2 0 297.418 1.317 10 30 CDEERP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001675139542 1174079694 /nfs/dbraw/zinc/07/96/94/1174079694.db2.gz FMUIXARKDDYLBU-HOTGVXAUSA-N 2 0 293.455 1.424 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001677306532 1174347210 /nfs/dbraw/zinc/34/72/10/1174347210.db2.gz KUMXBLDYACCRIF-ZIAGYGMSSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001570702723 1170241590 /nfs/dbraw/zinc/24/15/90/1170241590.db2.gz XLKYZWRACMHMDG-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571256921 1170356660 /nfs/dbraw/zinc/35/66/60/1170356660.db2.gz FOEACAUODLMRMS-RBSFLKMASA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001656235140 1171798993 /nfs/dbraw/zinc/79/89/93/1171798993.db2.gz PZGJGYZSLQUMTC-RBSFLKMASA-N 2 0 279.428 1.389 10 30 CDEERP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]1CCC(C)CC1 ZINC000594438246 342906328 /nfs/dbraw/zinc/90/63/28/342906328.db2.gz NNVCCVGKOYZDBR-LSDHHAIUSA-N 2 0 294.443 1.634 10 30 CDEERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594454991 342911454 /nfs/dbraw/zinc/91/14/54/342911454.db2.gz XDGOCBAZYPAIBT-OAHLLOKOSA-N 2 0 288.395 1.433 10 30 CDEERP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)CC[N@@H+]1C ZINC000600723791 342245013 /nfs/dbraw/zinc/24/50/13/342245013.db2.gz LZLYLDCRIPYMGM-JHJVBQTASA-N 2 0 251.374 1.113 10 30 CDEERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000594512113 342912526 /nfs/dbraw/zinc/91/25/26/342912526.db2.gz IFUVMBXLOIDDEK-JGZJWPJOSA-N 2 0 250.371 1.445 10 30 CDEERP CC(C)[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594436744 342900238 /nfs/dbraw/zinc/90/02/38/342900238.db2.gz QHMYDFIHPWGFJW-AWEZNQCLSA-N 2 0 280.416 1.387 10 30 CDEERP COc1cc(CNCC23CC(C2)C[NH2+]3)ccc1C#N ZINC000596106646 343228514 /nfs/dbraw/zinc/22/85/14/343228514.db2.gz QPPPVFAXEMIMJJ-UHFFFAOYSA-N 2 0 257.337 1.408 10 30 CDEERP C=CCN1CC[C@H]([N@@H+](C)CC2CC[NH+](CC)CC2)C1=O ZINC001659013629 1172088423 /nfs/dbraw/zinc/08/84/23/1172088423.db2.gz AFCGUBAADQRKIA-HNNXBMFYSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001660409084 1172212489 /nfs/dbraw/zinc/21/24/89/1172212489.db2.gz TZUDNEVOJLXWIM-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[C@]1(C(=O)N2CCCCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000638815346 374993764 /nfs/dbraw/zinc/99/37/64/374993764.db2.gz MKRMQBICLODFSS-UKRRQHHQSA-N 2 0 265.401 1.415 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417543102 377929590 /nfs/dbraw/zinc/92/95/90/377929590.db2.gz UHSPJSLBUYWCPW-DZGCQCFKSA-N 2 0 294.443 1.324 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001662791316 1172596516 /nfs/dbraw/zinc/59/65/16/1172596516.db2.gz OTIYZZPLVTZRHO-CVEARBPZSA-N 2 0 293.455 1.759 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001663013682 1172628834 /nfs/dbraw/zinc/62/88/34/1172628834.db2.gz ASALDXXCBXVWFM-HNNXBMFYSA-N 2 0 279.428 1.370 10 30 CDEERP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+](C)C(C)C ZINC001663123736 1172637090 /nfs/dbraw/zinc/63/70/90/1172637090.db2.gz JXHVQBJRFZIJDM-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001663119533 1172637443 /nfs/dbraw/zinc/63/74/43/1172637443.db2.gz KECFVGNNPHJUQV-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001663928201 1172790426 /nfs/dbraw/zinc/79/04/26/1172790426.db2.gz RBOYWTKZTIIWHU-CYBMUJFWSA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662684333 413307917 /nfs/dbraw/zinc/30/79/17/413307917.db2.gz ZZTUITXABBOLGX-GOEBONIOSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H](C2CC2)[NH+](C)C)CCC[NH2+]1 ZINC000662688477 413314038 /nfs/dbraw/zinc/31/40/38/413314038.db2.gz OJZAHYYFOSPMAH-UKRRQHHQSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)CCC[NH2+]1 ZINC000662747522 413420876 /nfs/dbraw/zinc/42/08/76/413420876.db2.gz WTONAGWDMZFTBJ-DOTOQJQBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295146 414620828 /nfs/dbraw/zinc/62/08/28/414620828.db2.gz FNZCCYVERMHKRT-HIFRSBDPSA-N 2 0 279.428 1.389 10 30 CDEERP C#CCN1CCC([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000040623271 174355797 /nfs/dbraw/zinc/35/57/97/174355797.db2.gz JTJPRQBDCPNVQE-HNNXBMFYSA-N 2 0 263.429 1.404 10 30 CDEERP CC[N@H+](Cc1sccc1C#CC[NH3+])[C@H](C)COC ZINC000043684258 175093154 /nfs/dbraw/zinc/09/31/54/175093154.db2.gz SOVMAQLICOOZBS-GFCCVEGCSA-N 2 0 266.410 1.915 10 30 CDEERP CN(Cc1cc(C#CC[NH3+])cs1)C[C@H]1CC[N@H+](C)C1 ZINC000071190467 176066269 /nfs/dbraw/zinc/06/62/69/176066269.db2.gz BDWCJTSLGNDIEH-AWEZNQCLSA-N 2 0 277.437 1.442 10 30 CDEERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(C#CC[NH3+])cc1 ZINC000071192975 176074610 /nfs/dbraw/zinc/07/46/10/176074610.db2.gz VZMNGVSPXTYHRA-HNNXBMFYSA-N 2 0 285.391 1.021 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCC[NH2+]1 ZINC000662833600 424514841 /nfs/dbraw/zinc/51/48/41/424514841.db2.gz PLAATXVJEMPZBL-VNHYZAJKSA-N 2 0 265.401 1.141 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001667306252 1173251094 /nfs/dbraw/zinc/25/10/94/1173251094.db2.gz AWTOFMWAAIDJQI-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001669581007 1173572579 /nfs/dbraw/zinc/57/25/79/1173572579.db2.gz XNMWYQYNKZNOML-DZGCQCFKSA-N 2 0 279.428 1.674 10 30 CDEERP N#Cc1ccc(OCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000566482064 316611679 /nfs/dbraw/zinc/61/16/79/316611679.db2.gz MGAFBPAWRLKLRQ-KBPBESRZSA-N 2 0 259.353 1.797 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001672863493 1173805333 /nfs/dbraw/zinc/80/53/33/1173805333.db2.gz MXKBTBVJNUCWDM-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001672857959 1173805351 /nfs/dbraw/zinc/80/53/51/1173805351.db2.gz HGHADYVLYICXAL-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262496796 330017881 /nfs/dbraw/zinc/01/78/81/330017881.db2.gz WUVVWQUHHFLSHN-KBPBESRZSA-N 2 0 296.459 1.532 10 30 CDEERP C[NH+]1CCC(CNC(=[NH2+])NC2CC2)(N2CCCCC2)CC1 ZINC000262661817 330025067 /nfs/dbraw/zinc/02/50/67/330025067.db2.gz LYPROQQDOKKBFO-UHFFFAOYSA-N 2 0 293.459 1.003 10 30 CDEERP C[NH+]=C(NCC1(O)CCC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262766563 330030113 /nfs/dbraw/zinc/03/01/13/330030113.db2.gz GFCCXZDSWXIFAQ-AGUYFDCRSA-N 2 0 294.443 1.082 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC12CCOCC2 ZINC000262852472 330035333 /nfs/dbraw/zinc/03/53/33/330035333.db2.gz XETGDPHGDDHXPA-ZIAGYGMSSA-N 2 0 294.443 1.192 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268069700 1159774445 /nfs/dbraw/zinc/77/44/45/1159774445.db2.gz ZQNPIMPLDBXRAD-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001268380059 1159914388 /nfs/dbraw/zinc/91/43/88/1159914388.db2.gz OQVWNHCJBIVCOJ-CYBMUJFWSA-N 2 0 299.846 1.852 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001671695194 1161402190 /nfs/dbraw/zinc/40/21/90/1161402190.db2.gz ZWHTWCIIVCWZAZ-MRXNPFEDSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001713310574 1178489184 /nfs/dbraw/zinc/48/91/84/1178489184.db2.gz XJXXUTGMCUIPOO-UONOGXRCSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001731876229 1182646068 /nfs/dbraw/zinc/64/60/68/1182646068.db2.gz DVEGREOZNQTOSH-UHFFFAOYSA-N 2 0 265.401 1.237 10 30 CDEERP C=CC[NH+](CC=C)C[C@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052376691 518770122 /nfs/dbraw/zinc/77/01/22/518770122.db2.gz DDBMDALRNRJBJC-HUUCEWRRSA-N 2 0 250.386 1.960 10 30 CDEERP CCN[C@@H](C#N)CC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063121597 520058344 /nfs/dbraw/zinc/05/83/44/520058344.db2.gz WROQELMJBUZYLM-CQSZACIVSA-N 2 0 252.406 1.152 10 30 CDEERP C[NH+](C)C[C@H]1CCCN1Cc1cc(C#CC[NH3+])cs1 ZINC000061652282 521869394 /nfs/dbraw/zinc/86/93/94/521869394.db2.gz QMLLVVHGSUSXFX-CQSZACIVSA-N 2 0 277.437 1.584 10 30 CDEERP COc1ccc(C[N@H+](C)CC2CC2)cc1C#CC[NH3+] ZINC000049609432 524001798 /nfs/dbraw/zinc/00/17/98/524001798.db2.gz POUSBVIBAKPZCP-UHFFFAOYSA-N 2 0 258.365 1.847 10 30 CDEERP [NH3+]CC#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000049609815 527147488 /nfs/dbraw/zinc/14/74/88/527147488.db2.gz ADMFXMCUTCUYGB-HNNXBMFYSA-N 2 0 262.328 1.093 10 30 CDEERP [NH3+]CC#Cc1ccc(CN2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000049609948 527149362 /nfs/dbraw/zinc/14/93/62/527149362.db2.gz IMPCTKARPNIWQD-UHFFFAOYSA-N 2 0 287.382 1.416 10 30 CDEERP CCCN(CC[NH+]1CCCC1)C(=O)NCC#CC[NH+](C)C ZINC001684871624 1174663209 /nfs/dbraw/zinc/66/32/09/1174663209.db2.gz PPOYIMOTYVXTBT-UHFFFAOYSA-N 2 0 294.443 1.069 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001690292232 1175429119 /nfs/dbraw/zinc/42/91/19/1175429119.db2.gz PUZSWFPFLZHGOM-JYJNAYRXSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000939453684 613874385 /nfs/dbraw/zinc/87/43/85/613874385.db2.gz LXPCYJUFMNDQHV-HOCLYGCPSA-N 2 0 293.455 1.729 10 30 CDEERP C#CCN(C)CCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000926491675 617899450 /nfs/dbraw/zinc/89/94/50/617899450.db2.gz YWWZSAPGSZPLKW-HZPDHXFCSA-N 2 0 264.413 1.736 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000900080251 622680042 /nfs/dbraw/zinc/68/00/42/622680042.db2.gz ICTVFGRJINOKPJ-UHFFFAOYSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000900442319 623063269 /nfs/dbraw/zinc/06/32/69/623063269.db2.gz PRAIVOYFQAJGIE-OAHLLOKOSA-N 2 0 279.428 1.581 10 30 CDEERP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903449473 626000104 /nfs/dbraw/zinc/00/01/04/626000104.db2.gz CVAPBLITPUVIOD-GASCZTMLSA-N 2 0 255.365 1.826 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001691034825 1158644325 /nfs/dbraw/zinc/64/43/25/1158644325.db2.gz WUYXKHWHVSWDCR-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001691989261 1158654013 /nfs/dbraw/zinc/65/40/13/1158654013.db2.gz CRPGJPFXTSXTNB-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001700428429 1159003503 /nfs/dbraw/zinc/00/35/03/1159003503.db2.gz AJSCEKLXCGVHMQ-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001772514203 1158530005 /nfs/dbraw/zinc/53/00/05/1158530005.db2.gz NMJAUIZHJGLSCS-CQSZACIVSA-N 2 0 287.407 1.479 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001670475797 1158615852 /nfs/dbraw/zinc/61/58/52/1158615852.db2.gz ZFCWHVDXAFNYPM-BMFZPTHFSA-N 2 0 293.455 1.777 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001671318794 1159928819 /nfs/dbraw/zinc/92/88/19/1159928819.db2.gz OOOKBHBSPUZHSU-OAHLLOKOSA-N 2 0 289.423 1.219 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732369429 1160523724 /nfs/dbraw/zinc/52/37/24/1160523724.db2.gz GBVWKEGZVRIRIU-UONOGXRCSA-N 2 0 267.417 1.246 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000876771543 1165912795 /nfs/dbraw/zinc/91/27/95/1165912795.db2.gz UELZZJJUSCNCCX-CHWSQXEVSA-N 2 0 285.819 1.401 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001565878512 1168194926 /nfs/dbraw/zinc/19/49/26/1168194926.db2.gz SQZLLUAQXVDKHL-SHTZXODSSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566847416 1168442285 /nfs/dbraw/zinc/44/22/85/1168442285.db2.gz CUSMFRURHONCHA-OKILXGFUSA-N 2 0 277.412 1.121 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001568952138 1169561025 /nfs/dbraw/zinc/56/10/25/1169561025.db2.gz ZSEYOQRKLJEDQT-FMFIFOJESA-N 2 0 287.835 1.587 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001570361512 1170143212 /nfs/dbraw/zinc/14/32/12/1170143212.db2.gz FOAJFMHZXQARAG-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001570379435 1170148366 /nfs/dbraw/zinc/14/83/66/1170148366.db2.gz OJFJYVKOCOQROW-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001570844202 1170299112 /nfs/dbraw/zinc/29/91/12/1170299112.db2.gz YJZWPENMYAORDN-ZDUSSCGKSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001655066736 1171664363 /nfs/dbraw/zinc/66/43/63/1171664363.db2.gz QTNYSHRBCRUEJH-MRXNPFEDSA-N 2 0 296.455 1.626 10 30 CDEERP C=CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001663731520 1172752896 /nfs/dbraw/zinc/75/28/96/1172752896.db2.gz ZQKXNPCBBNFGPN-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C/C=C\Cl)CC1 ZINC001664391297 1172847206 /nfs/dbraw/zinc/84/72/06/1172847206.db2.gz HHZLHOXDENFCIS-DAXSKMNVSA-N 2 0 297.830 1.132 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001665792665 1173062286 /nfs/dbraw/zinc/06/22/86/1173062286.db2.gz ILNNJRRQSLVIOY-HZSPNIEDSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001665810228 1173066052 /nfs/dbraw/zinc/06/60/52/1173066052.db2.gz RCMUHRMFVXHPKU-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001666486664 1173138994 /nfs/dbraw/zinc/13/89/94/1173138994.db2.gz RRMDTJCMMLJBRO-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001690197873 1175401014 /nfs/dbraw/zinc/40/10/14/1175401014.db2.gz XEFRRRZRKJJWGW-MRXNPFEDSA-N 2 0 293.455 1.522 10 30 CDEERP C#CCC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001690459727 1175476164 /nfs/dbraw/zinc/47/61/64/1175476164.db2.gz SBLUXCDQSCVELZ-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001690678692 1175544467 /nfs/dbraw/zinc/54/44/67/1175544467.db2.gz OYHCXIWVLOKHCQ-JKSUJKDBSA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CC2CC2)CC1 ZINC001698619208 1175874701 /nfs/dbraw/zinc/87/47/01/1175874701.db2.gz NNPJZKRXBQKEOE-MRXNPFEDSA-N 2 0 291.439 1.226 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001698668758 1175892042 /nfs/dbraw/zinc/89/20/42/1175892042.db2.gz UBZCOQCILNHITN-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001698770193 1175925922 /nfs/dbraw/zinc/92/59/22/1175925922.db2.gz HQJRODHIHCPQAC-AWEZNQCLSA-N 2 0 291.439 1.084 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001698831832 1175954909 /nfs/dbraw/zinc/95/49/09/1175954909.db2.gz IKLAXPAXUYTPDK-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699003528 1176035379 /nfs/dbraw/zinc/03/53/79/1176035379.db2.gz ZOPYGNPQRQFLRA-HNNXBMFYSA-N 2 0 279.428 1.295 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001699215259 1176143462 /nfs/dbraw/zinc/14/34/62/1176143462.db2.gz KWTVFZOTEARCTL-KRWDZBQOSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001699590612 1176489524 /nfs/dbraw/zinc/48/95/24/1176489524.db2.gz TYDRXUIPXHUFSW-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001699702500 1176571136 /nfs/dbraw/zinc/57/11/36/1176571136.db2.gz YZCKFTMWSILUAL-MRXNPFEDSA-N 2 0 279.428 1.439 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001699838997 1176651924 /nfs/dbraw/zinc/65/19/24/1176651924.db2.gz WVBOUCALPUNYSF-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001699847833 1176653513 /nfs/dbraw/zinc/65/35/13/1176653513.db2.gz OEFAREFCYPFFFX-QGZVFWFLSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001699844206 1176653662 /nfs/dbraw/zinc/65/36/62/1176653662.db2.gz JLOMSCORJFQBPQ-QGZVFWFLSA-N 2 0 295.471 1.979 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001700203925 1176796564 /nfs/dbraw/zinc/79/65/64/1176796564.db2.gz WCGAYDGIMRFNRU-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001700362935 1176875514 /nfs/dbraw/zinc/87/55/14/1176875514.db2.gz FEIPOZGFFXFILC-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001700382517 1176886048 /nfs/dbraw/zinc/88/60/48/1176886048.db2.gz SZLHCIWIPSSVHU-UHFFFAOYSA-N 2 0 299.418 1.479 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001700488463 1176977045 /nfs/dbraw/zinc/97/70/45/1176977045.db2.gz ZBFLQVUFIHEIEC-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001700574041 1177020883 /nfs/dbraw/zinc/02/08/83/1177020883.db2.gz IYXHOFXGJUVNKU-CQSZACIVSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[N@@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001700696758 1177080657 /nfs/dbraw/zinc/08/06/57/1177080657.db2.gz OCRXGPIBWYYXRC-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[N@@H+](C)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001700976369 1177221603 /nfs/dbraw/zinc/22/16/03/1177221603.db2.gz QWMAQHGBYIDIBF-HNNXBMFYSA-N 2 0 281.444 1.683 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001701018686 1177241722 /nfs/dbraw/zinc/24/17/22/1177241722.db2.gz DKYDTHZAJXYADX-SSHXOBKSSA-N 2 0 291.439 1.319 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001713343809 1178511419 /nfs/dbraw/zinc/51/14/19/1178511419.db2.gz BMGFJXHYDZICOP-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[N@H+](CCC)CCNC(=O)[C@H]1CN(CC)CCO1 ZINC001713552366 1178640548 /nfs/dbraw/zinc/64/05/48/1178640548.db2.gz XUGWTMYUVBIMMI-OAHLLOKOSA-N 2 0 297.443 1.111 10 30 CDEERP C#CC[N@@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001713558417 1178646463 /nfs/dbraw/zinc/64/64/63/1178646463.db2.gz JKIFNZKGZLBBBJ-UHFFFAOYSA-N 2 0 289.423 1.076 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001713666697 1178703435 /nfs/dbraw/zinc/70/34/35/1178703435.db2.gz ZHMMOBBAUHJGIB-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001713680828 1178707355 /nfs/dbraw/zinc/70/73/55/1178707355.db2.gz UFROWQSPEAOFHJ-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714237054 1179037776 /nfs/dbraw/zinc/03/77/76/1179037776.db2.gz VKSSKIBSAFHARV-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001714278985 1179062229 /nfs/dbraw/zinc/06/22/29/1179062229.db2.gz QRHXRDOXYDKJSK-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001714364424 1179105997 /nfs/dbraw/zinc/10/59/97/1179105997.db2.gz SVSQPPSGNFYPCH-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001714563365 1179218576 /nfs/dbraw/zinc/21/85/76/1179218576.db2.gz GDFMFFQIOPXMBC-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001714617400 1179270527 /nfs/dbraw/zinc/27/05/27/1179270527.db2.gz HNSSETZXKSKKKC-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001714862065 1179426805 /nfs/dbraw/zinc/42/68/05/1179426805.db2.gz FVBFSTNILSCNTA-BZUAXINKSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001715367047 1179645055 /nfs/dbraw/zinc/64/50/55/1179645055.db2.gz REYCRBRWTWEWLC-CQSZACIVSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715952647 1179937771 /nfs/dbraw/zinc/93/77/71/1179937771.db2.gz FEKFLLXVXWPJRS-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001716072784 1180030883 /nfs/dbraw/zinc/03/08/83/1180030883.db2.gz HHIROUIDTBDUSU-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001716144484 1180071025 /nfs/dbraw/zinc/07/10/25/1180071025.db2.gz DUIZDUPAIKADQK-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001716223826 1180110622 /nfs/dbraw/zinc/11/06/22/1180110622.db2.gz FSKMWNLJEDNESG-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001716687184 1180369749 /nfs/dbraw/zinc/36/97/49/1180369749.db2.gz PZBXWJUIKRTKFF-CQSZACIVSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCOCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001716765928 1180406171 /nfs/dbraw/zinc/40/61/71/1180406171.db2.gz ZOEJZAHABVDUHN-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001716874567 1180449487 /nfs/dbraw/zinc/44/94/87/1180449487.db2.gz MEJPLCAVYJLCBR-RDJZCZTQSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001717208655 1180575971 /nfs/dbraw/zinc/57/59/71/1180575971.db2.gz HQOFGXYBCAHMMA-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)CCC[NH+](C)C ZINC001717210826 1180577510 /nfs/dbraw/zinc/57/75/10/1180577510.db2.gz UGVYARVFHHTADQ-UHFFFAOYSA-N 2 0 267.417 1.132 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001717293609 1180607762 /nfs/dbraw/zinc/60/77/62/1180607762.db2.gz OWYRZGGCPRPGDR-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001717442964 1180675036 /nfs/dbraw/zinc/67/50/36/1180675036.db2.gz VYZPWCNUNHXVJG-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001717550648 1180734901 /nfs/dbraw/zinc/73/49/01/1180734901.db2.gz DFUUXXZCQSFDOU-CQSZACIVSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001717648140 1180773446 /nfs/dbraw/zinc/77/34/46/1180773446.db2.gz PSFZAIDYVMRRBD-SHTZXODSSA-N 2 0 293.455 1.472 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001723875040 1181614275 /nfs/dbraw/zinc/61/42/75/1181614275.db2.gz KNNHSLNFKRIEPY-HUUCEWRRSA-N 2 0 279.428 1.319 10 30 CDEERP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001725046656 1181832291 /nfs/dbraw/zinc/83/22/91/1181832291.db2.gz CFTUORFQWWGPOY-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001725042109 1181832343 /nfs/dbraw/zinc/83/23/43/1181832343.db2.gz QINSJVCXRKTQAX-MRXNPFEDSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001725184337 1181912025 /nfs/dbraw/zinc/91/20/25/1181912025.db2.gz YEAAZJLQMHJSTF-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001725468116 1182009841 /nfs/dbraw/zinc/00/98/41/1182009841.db2.gz RFESCOYIKSYGQO-OAHLLOKOSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001725568645 1182053231 /nfs/dbraw/zinc/05/32/31/1182053231.db2.gz RAINZDHDXYYJRF-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[N@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001725816516 1182141434 /nfs/dbraw/zinc/14/14/34/1182141434.db2.gz KQXLVCMMRACSSH-UHFFFAOYSA-N 2 0 291.439 1.795 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001731296228 1182300461 /nfs/dbraw/zinc/30/04/61/1182300461.db2.gz JYLJATFILPWRNC-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001731519622 1182433070 /nfs/dbraw/zinc/43/30/70/1182433070.db2.gz WBRKLOJTMPUUPY-HNNXBMFYSA-N 2 0 291.439 1.629 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001731531724 1182437162 /nfs/dbraw/zinc/43/71/62/1182437162.db2.gz QRORPEJHNLWNRU-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCC[C@H](C)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001731885487 1182652563 /nfs/dbraw/zinc/65/25/63/1182652563.db2.gz ODUJITAOFLDHFQ-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001731885651 1182652822 /nfs/dbraw/zinc/65/28/22/1182652822.db2.gz TZFOUZBQMAZOAO-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001732003211 1182720222 /nfs/dbraw/zinc/72/02/22/1182720222.db2.gz YULYRIPKIXLUPB-HOCLYGCPSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001732076401 1182753638 /nfs/dbraw/zinc/75/36/38/1182753638.db2.gz NQZHXXNLNAVYNJ-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001732167534 1182827659 /nfs/dbraw/zinc/82/76/59/1182827659.db2.gz DEYYWMQVIVYMTK-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001732208133 1182857846 /nfs/dbraw/zinc/85/78/46/1182857846.db2.gz FGDWZZXVTYZGLD-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1 ZINC001732398277 1182944980 /nfs/dbraw/zinc/94/49/80/1182944980.db2.gz NIXGVJBOBNFUCQ-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001732458624 1182976797 /nfs/dbraw/zinc/97/67/97/1182976797.db2.gz GDDJMCNJFGNXGU-CVEARBPZSA-N 2 0 293.455 1.635 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733053261 1183265988 /nfs/dbraw/zinc/26/59/88/1183265988.db2.gz ILAAAUYOFZQRTD-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001733077697 1183278594 /nfs/dbraw/zinc/27/85/94/1183278594.db2.gz LDJRTUBQIFWSCQ-HUUCEWRRSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001733550836 1183463398 /nfs/dbraw/zinc/46/33/98/1183463398.db2.gz FYYXGUMOJUPHMR-HOCLYGCPSA-N 2 0 293.455 1.588 10 30 CDEERP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001733605146 1183478379 /nfs/dbraw/zinc/47/83/79/1183478379.db2.gz ZXJBMNXFOFTJBW-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001733938580 1183575924 /nfs/dbraw/zinc/57/59/24/1183575924.db2.gz IVDXJMGNKHSYLA-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001733960186 1183585873 /nfs/dbraw/zinc/58/58/73/1183585873.db2.gz OLQYRVBHGXNTJD-UHFFFAOYSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001734286565 1183713603 /nfs/dbraw/zinc/71/36/03/1183713603.db2.gz SBZKJNSYRLNPMO-HZPDHXFCSA-N 2 0 291.439 1.082 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001734299938 1183719414 /nfs/dbraw/zinc/71/94/14/1183719414.db2.gz GKEWAMSPSUJXGX-HOTGVXAUSA-N 2 0 293.455 1.872 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001734398258 1183763068 /nfs/dbraw/zinc/76/30/68/1183763068.db2.gz AAWBHGJGKQFBKB-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001734451092 1183782390 /nfs/dbraw/zinc/78/23/90/1183782390.db2.gz VGPOPWOZTIMWNP-OWCLPIDISA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001734577519 1183831658 /nfs/dbraw/zinc/83/16/58/1183831658.db2.gz DBYRTPOHKIDVKF-OAHLLOKOSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000876541907 790890781 /nfs/dbraw/zinc/89/07/81/790890781.db2.gz LSPUNASTSCQGDA-WDEREUQCSA-N 2 0 261.797 1.288 10 30 CDEERP C#CC[C@H](COC)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000858336072 789903162 /nfs/dbraw/zinc/90/31/62/789903162.db2.gz UNLAFGLSVIQFQP-MRXNPFEDSA-N 2 0 290.407 1.755 10 30 CDEERP C=CC[C@@H](C(=O)OC)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000877969425 790041692 /nfs/dbraw/zinc/04/16/92/790041692.db2.gz AGWUZCOPQMEPRF-ZDUSSCGKSA-N 2 0 254.374 1.378 10 30 CDEERP C=CCNC(=[NH2+])NCc1ccc(CN2CCOCC2)cc1 ZINC000848982325 790091972 /nfs/dbraw/zinc/09/19/72/790091972.db2.gz GZKKOBWQRIYJEZ-UHFFFAOYSA-N 2 0 288.395 1.319 10 30 CDEERP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925655843 791655073 /nfs/dbraw/zinc/65/50/73/791655073.db2.gz LYPVWGGCBZYQQZ-RFGFWPKPSA-N 2 0 250.386 1.827 10 30 CDEERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H](O)CC#N)C1 ZINC000809574251 792143281 /nfs/dbraw/zinc/14/32/81/792143281.db2.gz IGIDFTOOJNFKSP-BZUAXINKSA-N 2 0 279.428 1.847 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000876742001 792822682 /nfs/dbraw/zinc/82/26/82/792822682.db2.gz QBDHWRAZCLYPLG-OLZOCXBDSA-N 2 0 287.835 1.693 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000876770568 793008371 /nfs/dbraw/zinc/00/83/71/793008371.db2.gz HNHXGCDOZUGJEG-AGIUHOORSA-N 2 0 287.835 1.788 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC[C@@]1(C)CCCO1 ZINC000261779436 793903092 /nfs/dbraw/zinc/90/30/92/793903092.db2.gz PCJZFSVRBPRJQJ-DZGCQCFKSA-N 2 0 282.432 1.205 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)Nc1cccc2c1CC[NH2+]C2 ZINC000852797087 794216236 /nfs/dbraw/zinc/21/62/36/794216236.db2.gz JZHPLFZVLGFRFA-UHFFFAOYSA-N 2 0 283.375 1.274 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000198936473 794475199 /nfs/dbraw/zinc/47/51/99/794475199.db2.gz DZAYGGXQBOTNOC-ZDUSSCGKSA-N 2 0 252.406 1.708 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000877246241 794475295 /nfs/dbraw/zinc/47/52/95/794475295.db2.gz SFOOVQNEUNQLKY-FQLMCAECSA-N 2 0 277.412 1.332 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000876728684 795862978 /nfs/dbraw/zinc/86/29/78/795862978.db2.gz SEXDRMHLYOETDX-NWDGAFQWSA-N 2 0 275.824 1.549 10 30 CDEERP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001569118786 1167553493 /nfs/dbraw/zinc/55/34/93/1167553493.db2.gz GWRVZJJDOHVRMH-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001570543492 1167577096 /nfs/dbraw/zinc/57/70/96/1167577096.db2.gz JIBNHKPPFYOQJM-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001566124157 1168242519 /nfs/dbraw/zinc/24/25/19/1168242519.db2.gz IOIOPVXBKUVHHA-LSDHHAIUSA-N 2 0 279.428 1.580 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001566792634 1168424776 /nfs/dbraw/zinc/42/47/76/1168424776.db2.gz SDAHRQYIJQGGKO-RBSFLKMASA-N 2 0 279.428 1.674 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001567144509 1168594961 /nfs/dbraw/zinc/59/49/61/1168594961.db2.gz ATKWAMKFVWQHFH-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001483735937 913308258 /nfs/dbraw/zinc/30/82/58/913308258.db2.gz YMFLORBRQDLGBJ-CYBMUJFWSA-N 2 0 297.830 1.319 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C[C@H](C)n1ccnc1)C1CC1 ZINC001266431109 894844121 /nfs/dbraw/zinc/84/41/21/894844121.db2.gz KHFOIZJGAPHGDM-DZGCQCFKSA-N 2 0 288.395 1.342 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001266630509 895629878 /nfs/dbraw/zinc/62/98/78/895629878.db2.gz RHNUTBJSPJYPKF-JOCQHMNTSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001266718169 895903822 /nfs/dbraw/zinc/90/38/22/895903822.db2.gz DYGXZZOIYOGGJA-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001266738840 895944729 /nfs/dbraw/zinc/94/47/29/895944729.db2.gz PYMGDVRKIHUGTD-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266804646 896081046 /nfs/dbraw/zinc/08/10/46/896081046.db2.gz LVSIXBPSGAVAIV-CQSZACIVSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCC(=C)C)CC1 ZINC001266993778 896514518 /nfs/dbraw/zinc/51/45/18/896514518.db2.gz FQEMKIJJEWOPIX-OAHLLOKOSA-N 2 0 291.439 1.392 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267083414 896728466 /nfs/dbraw/zinc/72/84/66/896728466.db2.gz YHKYDNFTEJXEMV-KGLIPLIRSA-N 2 0 279.428 1.674 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001267148182 896921463 /nfs/dbraw/zinc/92/14/63/896921463.db2.gz HZOHJEHRYJJAOG-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001267257665 897360368 /nfs/dbraw/zinc/36/03/68/897360368.db2.gz POMPFEPTKMVFJE-INIZCTEOSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001283545117 897630744 /nfs/dbraw/zinc/63/07/44/897630744.db2.gz VSMJMEYHYWQJFF-MRXNPFEDSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001481012042 898493177 /nfs/dbraw/zinc/49/31/77/898493177.db2.gz SKZOZBNTTXAMKV-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001267826835 899826019 /nfs/dbraw/zinc/82/60/19/899826019.db2.gz CNFVZIVMLHTSEV-OLZOCXBDSA-N 2 0 255.406 1.243 10 30 CDEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001267847763 899865689 /nfs/dbraw/zinc/86/56/89/899865689.db2.gz BIPPQZKCYQGIBP-ZBFHGGJFSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267989054 900205240 /nfs/dbraw/zinc/20/52/40/900205240.db2.gz FAZVQUUSPPSUSV-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001268213917 901586401 /nfs/dbraw/zinc/58/64/01/901586401.db2.gz QDTGZTYKWITSNB-RRFJBIMHSA-N 2 0 279.428 1.080 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001268286400 901747492 /nfs/dbraw/zinc/74/74/92/901747492.db2.gz KFPNXMSZRIGYDV-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481876532 902251086 /nfs/dbraw/zinc/25/10/86/902251086.db2.gz VVSUGMZKXSAUFB-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001284195344 902667207 /nfs/dbraw/zinc/66/72/07/902667207.db2.gz JZPDJIFACPIFQD-CABCVRRESA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001269549158 903919008 /nfs/dbraw/zinc/91/90/08/903919008.db2.gz FTSOAQSRWIXHNF-HNNXBMFYSA-N 2 0 291.439 1.533 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001269961997 904236166 /nfs/dbraw/zinc/23/61/66/904236166.db2.gz WALAZMKHKBMHMB-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001270175308 904416114 /nfs/dbraw/zinc/41/61/14/904416114.db2.gz YHXNNGVHPHAVNQ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](CC)CC1 ZINC001270358334 904559619 /nfs/dbraw/zinc/55/96/19/904559619.db2.gz GDYHEMCNMCFUHB-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001271548312 906508805 /nfs/dbraw/zinc/50/88/05/906508805.db2.gz CFGPZVFVYNXMCS-GJZGRUSLSA-N 2 0 291.439 1.485 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001482698013 908293603 /nfs/dbraw/zinc/29/36/03/908293603.db2.gz IPHYZDOJESYUOF-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483060732 909199324 /nfs/dbraw/zinc/19/93/24/909199324.db2.gz OYLRBRBCZJFPCA-FYCOFBDGSA-N 2 0 297.418 1.647 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001483165930 909899981 /nfs/dbraw/zinc/89/99/81/909899981.db2.gz WUEOOGHJWJBODA-ZIAGYGMSSA-N 2 0 267.417 1.224 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001272713710 917567896 /nfs/dbraw/zinc/56/78/96/917567896.db2.gz HHFOTRPUHUNZJN-KKUMJFAQSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001139870012 936655033 /nfs/dbraw/zinc/65/50/33/936655033.db2.gz WERIHNYUMLINGW-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001485919324 920575428 /nfs/dbraw/zinc/57/54/28/920575428.db2.gz GCBCXGGUMLSTHT-GJZGRUSLSA-N 2 0 281.444 1.567 10 30 CDEERP C#CCC[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001486161501 920761320 /nfs/dbraw/zinc/76/13/20/920761320.db2.gz VJTJQQGUTFBPJP-RDJZCZTQSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486181546 920786083 /nfs/dbraw/zinc/78/60/83/920786083.db2.gz UMOHZQSUIATOPN-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001486219046 920829964 /nfs/dbraw/zinc/82/99/64/920829964.db2.gz QMNIBDFMQPWZOD-KGLIPLIRSA-N 2 0 290.411 1.711 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001486248038 920837889 /nfs/dbraw/zinc/83/78/89/920837889.db2.gz RDXVMSWJFWQTAF-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001490905762 936689905 /nfs/dbraw/zinc/68/99/05/936689905.db2.gz WXXUSMSVUKPUHT-HDJSIYSDSA-N 2 0 296.374 1.516 10 30 CDEERP C#CC[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001486467592 921042189 /nfs/dbraw/zinc/04/21/89/921042189.db2.gz STKFMWBEOKUUAO-SHARSMKWSA-N 2 0 277.412 1.073 10 30 CDEERP C[N@@H+]1C[C@@]2(C)CN(CCOCCC#N)C[C@@]2(C)C1 ZINC000706259636 923044523 /nfs/dbraw/zinc/04/45/23/923044523.db2.gz PAPYXNHPXYZSKL-OKILXGFUSA-N 2 0 251.374 1.190 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001490947994 936834542 /nfs/dbraw/zinc/83/45/42/936834542.db2.gz GGCDFRJVSITMII-IHRRRGAJSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001491220661 936878987 /nfs/dbraw/zinc/87/89/87/936878987.db2.gz HKJPQWBNNHXQMX-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001491457189 936919970 /nfs/dbraw/zinc/91/99/70/936919970.db2.gz OBLZJWKPRKKCFI-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001568537324 1169353740 /nfs/dbraw/zinc/35/37/40/1169353740.db2.gz PCHYJPUTZIFZGQ-KBPBESRZSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001274368452 931494378 /nfs/dbraw/zinc/49/43/78/931494378.db2.gz LMQJAEMKBSJORE-FOSCPCJNSA-N 2 0 279.428 1.556 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001275143811 931679152 /nfs/dbraw/zinc/67/91/52/931679152.db2.gz QYSYEWSDACDIAX-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001275242965 931713038 /nfs/dbraw/zinc/71/30/38/931713038.db2.gz JAUWONKPACGODV-UHFFFAOYSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001275571854 931888305 /nfs/dbraw/zinc/88/83/05/931888305.db2.gz RNVBQTQXKAKGOK-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001275804098 932051201 /nfs/dbraw/zinc/05/12/01/932051201.db2.gz DRYYWZCWQCGQJB-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001490857280 934561706 /nfs/dbraw/zinc/56/17/06/934561706.db2.gz FAVRHFQDYUYJQY-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[C@@H]1CCCN(C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001120649188 937821479 /nfs/dbraw/zinc/82/14/79/937821479.db2.gz OWXQKBBNYQIJHV-CQSZACIVSA-N 2 0 294.443 1.407 10 30 CDEERP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001329515613 940184886 /nfs/dbraw/zinc/18/48/86/940184886.db2.gz PADBFONJLBBIHJ-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[N@H+](C)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001277442013 942579386 /nfs/dbraw/zinc/57/93/86/942579386.db2.gz XLNAYWNEEVLMFL-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001282240008 942683222 /nfs/dbraw/zinc/68/32/22/942683222.db2.gz AYJIFBZMUMKSLG-QWHCGFSZSA-N 2 0 255.406 1.386 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001282479450 942722200 /nfs/dbraw/zinc/72/22/00/942722200.db2.gz WXUJUKSGHHATQN-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)C12CC[NH+](CC1)C2 ZINC001282652993 942735367 /nfs/dbraw/zinc/73/53/67/942735367.db2.gz DGUNAGJWQFEYSO-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH2+]C[C@H](CCCC)NC(=O)C12CC[NH+](CC1)C2 ZINC001282652991 942735481 /nfs/dbraw/zinc/73/54/81/942735481.db2.gz DGUNAGJWQFEYSO-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH2+]C[C@@H](CCCC)NC(=O)C1CC[NH+](C)CC1 ZINC001282647487 942735887 /nfs/dbraw/zinc/73/58/87/942735887.db2.gz IIAGBEUZFBUIPP-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH2+][C@H](CCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001277592296 943071495 /nfs/dbraw/zinc/07/14/95/943071495.db2.gz ZETKHVBABFTYGX-OAHLLOKOSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCCC[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001284818343 943262044 /nfs/dbraw/zinc/26/20/44/943262044.db2.gz DHVCYLAPXJRGCN-UHFFFAOYSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001277777253 943510058 /nfs/dbraw/zinc/51/00/58/943510058.db2.gz WBCLWMAPRLTIMK-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263810228 943979842 /nfs/dbraw/zinc/97/98/42/943979842.db2.gz VMEZJTGBOBJBBC-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001263849747 944001485 /nfs/dbraw/zinc/00/14/85/944001485.db2.gz WCLBIRLRJGYOET-UXLLHSPISA-N 2 0 291.439 1.533 10 30 CDEERP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001264545248 944147834 /nfs/dbraw/zinc/14/78/34/944147834.db2.gz HDEMRCFGANUNBI-OWCLPIDISA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001265443286 944389667 /nfs/dbraw/zinc/38/96/67/944389667.db2.gz WJZWKUSGQFKUQZ-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001265457991 944395075 /nfs/dbraw/zinc/39/50/75/944395075.db2.gz DTGIKXYVHBRENW-AWEZNQCLSA-N 2 0 265.401 1.239 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001265632152 944451438 /nfs/dbraw/zinc/45/14/38/944451438.db2.gz CLLZBJUZRXWVKD-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001278004616 944555515 /nfs/dbraw/zinc/55/55/15/944555515.db2.gz DPBIHJQKMOWYTA-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001479528029 971337674 /nfs/dbraw/zinc/33/76/74/971337674.db2.gz YEYYVDVIHLEUQL-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]2C1 ZINC001479672372 971361642 /nfs/dbraw/zinc/36/16/42/971361642.db2.gz GUOVTWNTVHSPOK-CVEARBPZSA-N 2 0 291.439 1.132 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001479717289 971382122 /nfs/dbraw/zinc/38/21/22/971382122.db2.gz XWXPYYGHHQIPON-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480462025 971741645 /nfs/dbraw/zinc/74/16/45/971741645.db2.gz FEYZCSUVRRXILB-MGPQQGTHSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480486734 971746322 /nfs/dbraw/zinc/74/63/22/971746322.db2.gz OMVGGRSTLHSMFP-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480657725 971827606 /nfs/dbraw/zinc/82/76/06/971827606.db2.gz AJZALVGPQMXLHX-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001480768331 971871153 /nfs/dbraw/zinc/87/11/53/971871153.db2.gz GPYNUZMSKZSLJM-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001325689275 954025655 /nfs/dbraw/zinc/02/56/55/954025655.db2.gz IFJDOQSHGASGKA-KRWDZBQOSA-N 2 0 299.418 1.332 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001326412836 954366601 /nfs/dbraw/zinc/36/66/01/954366601.db2.gz VOGTZSJTEBHIHO-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCC1 ZINC001326890441 954603018 /nfs/dbraw/zinc/60/30/18/954603018.db2.gz ZETOBHJAKBQMFC-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316663495 955082702 /nfs/dbraw/zinc/08/27/02/955082702.db2.gz FRRZPONGETTXDI-HRCADAONSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001491732858 955399965 /nfs/dbraw/zinc/39/99/65/955399965.db2.gz LHOMLRDEEMGAIV-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491856128 955470086 /nfs/dbraw/zinc/47/00/86/955470086.db2.gz JXBXBSFMHMARQF-HNNXBMFYSA-N 2 0 279.428 1.487 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001328927783 955560769 /nfs/dbraw/zinc/56/07/69/955560769.db2.gz KQOCBJVEWXWMDH-UHFFFAOYSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001328928185 955561780 /nfs/dbraw/zinc/56/17/80/955561780.db2.gz ORFZGWFFPXRRMK-GPANFISMSA-N 2 0 293.455 1.920 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001492130036 955641358 /nfs/dbraw/zinc/64/13/58/955641358.db2.gz VTOGNZAUVODXBO-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001493998118 972158043 /nfs/dbraw/zinc/15/80/43/972158043.db2.gz UFLUCZQHRUBJOO-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317467504 956340357 /nfs/dbraw/zinc/34/03/57/956340357.db2.gz UXGWIIFCEQMRBI-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001316990688 956918845 /nfs/dbraw/zinc/91/88/45/956918845.db2.gz JIJNMPKPXRWODM-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001316806677 957029181 /nfs/dbraw/zinc/02/91/81/957029181.db2.gz LEQZCNFPHVTYGA-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001331927506 957340588 /nfs/dbraw/zinc/34/05/88/957340588.db2.gz CFLJPOSAQFUPQD-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317245225 957375737 /nfs/dbraw/zinc/37/57/37/957375737.db2.gz GGGXUIASNYKHNV-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001317336417 957427935 /nfs/dbraw/zinc/42/79/35/957427935.db2.gz IIGXYULTRRHUGQ-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001332121166 957441092 /nfs/dbraw/zinc/44/10/92/957441092.db2.gz XRVFORAQAGOVOG-ZBFHGGJFSA-N 2 0 277.412 1.073 10 30 CDEERP C=CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001317560826 957556911 /nfs/dbraw/zinc/55/69/11/957556911.db2.gz BSWCBIYNTGMQJL-UHFFFAOYSA-N 2 0 265.401 1.239 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001317664135 957629904 /nfs/dbraw/zinc/62/99/04/957629904.db2.gz KBUAUWSJPQMNBW-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001367107626 957678102 /nfs/dbraw/zinc/67/81/02/957678102.db2.gz VAQJRSPSDAGMFZ-NWDGAFQWSA-N 2 0 275.824 1.564 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C(C)(C)C ZINC001332806591 957850294 /nfs/dbraw/zinc/85/02/94/957850294.db2.gz LQAQIZSHFOJOJP-HUUCEWRRSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001318373797 958067794 /nfs/dbraw/zinc/06/77/94/958067794.db2.gz GVLFGRNUTOOVEU-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CC)C2CC2)CC1 ZINC001318728775 958245819 /nfs/dbraw/zinc/24/58/19/958245819.db2.gz PKELMJNGWXAWML-KRWDZBQOSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001319550438 958624049 /nfs/dbraw/zinc/62/40/49/958624049.db2.gz DVDSIOKUQLYUNU-CQSZACIVSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320464420 959188365 /nfs/dbraw/zinc/18/83/65/959188365.db2.gz ODGPJMGIMMFEID-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001569329083 1169768256 /nfs/dbraw/zinc/76/82/56/1169768256.db2.gz FSLDUAQIBGGFNW-HOTGVXAUSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001321418752 959775499 /nfs/dbraw/zinc/77/54/99/959775499.db2.gz IMAVBWURRKUXRS-ZPIQOJFGSA-N 2 0 277.412 1.146 10 30 CDEERP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001321480108 959809263 /nfs/dbraw/zinc/80/92/63/959809263.db2.gz WXWYWXTZZGMKRY-WBVHZDCISA-N 2 0 299.418 1.227 10 30 CDEERP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001322167874 960118191 /nfs/dbraw/zinc/11/81/91/960118191.db2.gz HLVSPQYILNUEIK-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001495379978 972485505 /nfs/dbraw/zinc/48/55/05/972485505.db2.gz PCHFBWVBRUFCQI-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001324286885 961285186 /nfs/dbraw/zinc/28/51/86/961285186.db2.gz VDYWQRJPOVPBFY-CYBMUJFWSA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001496846092 973119807 /nfs/dbraw/zinc/11/98/07/973119807.db2.gz ZPDROGJFUDTPLX-INIZCTEOSA-N 2 0 293.455 1.520 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001497676080 973462464 /nfs/dbraw/zinc/46/24/64/973462464.db2.gz WXUJEQIBRCLZPH-SNAWJCMRSA-N 2 0 279.428 1.556 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001498611564 973998925 /nfs/dbraw/zinc/99/89/25/973998925.db2.gz YEDANVKEECGGRF-CYBMUJFWSA-N 2 0 289.851 1.763 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001498621590 974001719 /nfs/dbraw/zinc/00/17/19/974001719.db2.gz ODUZNVJSRMFDAX-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001506897751 975250662 /nfs/dbraw/zinc/25/06/62/975250662.db2.gz TXEYPXDXVYKXEW-IHRRRGAJSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001507289607 975400584 /nfs/dbraw/zinc/40/05/84/975400584.db2.gz SLPOGYYKWOJABG-UONOGXRCSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402601971 976389348 /nfs/dbraw/zinc/38/93/48/976389348.db2.gz BWPHAKIALZVOEN-TXEJJXNPSA-N 2 0 285.819 1.318 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001402678536 976438582 /nfs/dbraw/zinc/43/85/82/976438582.db2.gz DHNPBLFMQYNZCR-ZDUSSCGKSA-N 2 0 287.835 1.519 10 30 CDEERP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001675478691 1174118942 /nfs/dbraw/zinc/11/89/42/1174118942.db2.gz CKKAVMZKMTUGOX-CABCVRRESA-N 2 0 293.455 1.423 10 30 CDEERP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001675958607 1174168749 /nfs/dbraw/zinc/16/87/49/1174168749.db2.gz IIVBOEGCXLAIDQ-ILXRZTDVSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001570751898 1170270452 /nfs/dbraw/zinc/27/04/52/1170270452.db2.gz RKAOHTKHWMOULR-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CCC[NH+](C)C ZINC001571366372 1170387550 /nfs/dbraw/zinc/38/75/50/1170387550.db2.gz NVYHYJFCMGXIGL-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)CCO2 ZINC000592184284 342679636 /nfs/dbraw/zinc/67/96/36/342679636.db2.gz IHTAEDMDVSEGLJ-UONOGXRCSA-N 2 0 263.385 1.475 10 30 CDEERP C[N@H+](CCCC[NH2+]Cc1nc(C#N)cs1)C1CC1 ZINC000453594972 252328305 /nfs/dbraw/zinc/32/83/05/252328305.db2.gz IYWVZTIFLYSTMX-UHFFFAOYSA-N 2 0 264.398 1.979 10 30 CDEERP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C(C)(C)C[NH+](C)C ZINC000594439459 342906494 /nfs/dbraw/zinc/90/64/94/342906494.db2.gz QRGDDYMJYUZOIA-QWHCGFSZSA-N 2 0 282.432 1.490 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000594438980 342906698 /nfs/dbraw/zinc/90/66/98/342906698.db2.gz RVTXFYVLURRVBS-ZDUSSCGKSA-N 2 0 298.350 1.039 10 30 CDEERP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001661555067 1172405498 /nfs/dbraw/zinc/40/54/98/1172405498.db2.gz IMDNHXSGSZBPNA-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001661813757 1172449081 /nfs/dbraw/zinc/44/90/81/1172449081.db2.gz FPSCBOCGDYNSQI-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000422986837 374365795 /nfs/dbraw/zinc/36/57/95/374365795.db2.gz DKSBAYCVPWXYEL-CZUORRHYSA-N 2 0 273.380 1.915 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC(OCCC[NH3+])CC2)CCC[NH2+]1 ZINC000662428622 413009972 /nfs/dbraw/zinc/00/99/72/413009972.db2.gz KWSJSKAGFUJMNZ-MRXNPFEDSA-N 2 0 295.427 1.041 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[N@H+]2CC[C@@H](C)C2)CCC[NH2+]1 ZINC000662746680 413423107 /nfs/dbraw/zinc/42/31/07/413423107.db2.gz QQWGKVWRMUWAHT-HIFRSBDPSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001665227386 1172965713 /nfs/dbraw/zinc/96/57/13/1172965713.db2.gz CURZBRVXVUFHRL-QWHCGFSZSA-N 2 0 265.401 1.093 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000662769956 413466539 /nfs/dbraw/zinc/46/65/39/413466539.db2.gz MCYUWFVNDLQBJV-YRGRVCCFSA-N 2 0 251.374 1.071 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC3(CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000662779148 413484648 /nfs/dbraw/zinc/48/46/48/413484648.db2.gz LUGASXIXWMKPGN-MRXNPFEDSA-N 2 0 277.412 1.287 10 30 CDEERP [NH3+]CC#Cc1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000043427224 175040869 /nfs/dbraw/zinc/04/08/69/175040869.db2.gz RVWPXOGEIRVFRC-DLBZAZTESA-N 2 0 270.376 1.750 10 30 CDEERP C[NH+]1CCC(CNC(=O)c2ccc(C#CC[NH3+])s2)CC1 ZINC000044527362 175192799 /nfs/dbraw/zinc/19/27/99/175192799.db2.gz QTCHIWPJCWPUBQ-UHFFFAOYSA-N 2 0 291.420 1.130 10 30 CDEERP CN[C@@](C)(C#N)CCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315805 175357710 /nfs/dbraw/zinc/35/77/10/175357710.db2.gz LMNPBYBTTPZVAS-MRXNPFEDSA-N 2 0 280.460 1.932 10 30 CDEERP CN[C@](C)(C#N)CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315761 175357838 /nfs/dbraw/zinc/35/78/38/175357838.db2.gz LSKDSYUKNPRHGF-HNNXBMFYSA-N 2 0 266.433 1.542 10 30 CDEERP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1)C[C@H]1CC[NH+](C)C1 ZINC000071190475 176066325 /nfs/dbraw/zinc/06/63/25/176066325.db2.gz IJYMKCIINBNMNV-KRWDZBQOSA-N 3 0 271.408 1.380 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000262240345 330002491 /nfs/dbraw/zinc/00/24/91/330002491.db2.gz XXSNFDMLNJEDTP-LXTVHRRPSA-N 2 0 296.459 1.579 10 30 CDEERP C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262444829 330013512 /nfs/dbraw/zinc/01/35/12/330013512.db2.gz IKEMADTVISKPQP-ZIAGYGMSSA-N 2 0 278.444 1.921 10 30 CDEERP CNC(=[NH2+])N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000270131656 330074002 /nfs/dbraw/zinc/07/40/02/330074002.db2.gz PAZWSEFJPGEPJO-OCCSQVGLSA-N 2 0 260.385 1.574 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691786029 1159174587 /nfs/dbraw/zinc/17/45/87/1159174587.db2.gz MDWQGYMWJLOVSJ-SHTZXODSSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001268375616 1159913728 /nfs/dbraw/zinc/91/37/28/1159913728.db2.gz VGXZPDJVWWWBIF-OLZOCXBDSA-N 2 0 255.406 1.243 10 30 CDEERP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001496487038 1159926092 /nfs/dbraw/zinc/92/60/92/1159926092.db2.gz KHNHCMZHVPKJEH-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001269436750 1160058287 /nfs/dbraw/zinc/05/82/87/1160058287.db2.gz ANLUPNVIJYIQEG-UHFFFAOYSA-N 2 0 289.423 1.124 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691530100 1160458620 /nfs/dbraw/zinc/45/86/20/1160458620.db2.gz LRDUDBYPZQGFGY-WKILWMFISA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001272344313 1161079401 /nfs/dbraw/zinc/07/94/01/1161079401.db2.gz SRBTZBRGKKRXQW-CVEARBPZSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001732626350 1183053659 /nfs/dbraw/zinc/05/36/59/1183053659.db2.gz QZXGETSADWKUKD-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP N#Cc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)ccn1 ZINC000068757948 526548437 /nfs/dbraw/zinc/54/84/37/526548437.db2.gz VEKZMKRWCQLQLO-INIZCTEOSA-N 2 0 270.380 1.917 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)CCc1nccn1C ZINC001688881456 1175049922 /nfs/dbraw/zinc/04/99/22/1175049922.db2.gz SKZNZAKLJDNMJS-AWEZNQCLSA-N 2 0 290.411 1.462 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001690040030 1175354994 /nfs/dbraw/zinc/35/49/94/1175354994.db2.gz COTZCTYIRWRAIG-GJZGRUSLSA-N 2 0 297.418 1.270 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621152 613745942 /nfs/dbraw/zinc/74/59/42/613745942.db2.gz PDJOKEAYNBIHQF-UONOGXRCSA-N 2 0 279.428 1.483 10 30 CDEERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(C#N)c(F)c1 ZINC000925815393 617767636 /nfs/dbraw/zinc/76/76/36/617767636.db2.gz PYKFKMZTVMCDDG-LBPRGKRZSA-N 2 0 290.386 1.771 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000900136019 622727866 /nfs/dbraw/zinc/72/78/66/622727866.db2.gz FNWSHXNNUJTHJS-AWEZNQCLSA-N 2 0 295.452 1.975 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000900731910 623426976 /nfs/dbraw/zinc/42/69/76/623426976.db2.gz QLRKWWDIAXRHGU-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccccc1C#N)C2 ZINC000903494965 626011770 /nfs/dbraw/zinc/01/17/70/626011770.db2.gz STOLPNPVPPMFOH-UXLLHSPISA-N 2 0 299.374 1.271 10 30 CDEERP C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)C1=O ZINC000903810720 626100550 /nfs/dbraw/zinc/10/05/50/626100550.db2.gz GAVYTSXMVKQYIT-HUUCEWRRSA-N 2 0 291.439 1.757 10 30 CDEERP C=CCCC[N@@H+](CC)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000904472607 626304859 /nfs/dbraw/zinc/30/48/59/626304859.db2.gz NBMHCSFHCFCBIJ-CQSZACIVSA-N 2 0 277.416 1.991 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000912373320 629969841 /nfs/dbraw/zinc/96/98/41/629969841.db2.gz ALFWNWJPBNAAOM-HNNXBMFYSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001671564893 1158670461 /nfs/dbraw/zinc/67/04/61/1158670461.db2.gz ZSSAAFPFMJKRFL-JKSUJKDBSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001700257393 1158943594 /nfs/dbraw/zinc/94/35/94/1158943594.db2.gz AAOBGHWKROIPLY-DZGCQCFKSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001691167337 1158942151 /nfs/dbraw/zinc/94/21/51/1158942151.db2.gz TYGCXBBJHQGFPI-RBSFLKMASA-N 2 0 279.428 1.389 10 30 CDEERP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001269236094 1160044607 /nfs/dbraw/zinc/04/46/07/1160044607.db2.gz VOFQUCXLBIUDFJ-RBSFLKMASA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001272152177 1160661071 /nfs/dbraw/zinc/66/10/71/1160661071.db2.gz QMDPTVDIUQHDQC-UHFFFAOYSA-N 2 0 265.401 1.049 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)CCC ZINC001691674338 1161556193 /nfs/dbraw/zinc/55/61/93/1161556193.db2.gz CNXQBPAUMRCNTC-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001567144510 1168595803 /nfs/dbraw/zinc/59/58/03/1168595803.db2.gz ATKWAMKFVWQHFH-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCC1 ZINC001568243540 1169196002 /nfs/dbraw/zinc/19/60/02/1169196002.db2.gz IRLMJPWMSZJXSD-UHFFFAOYSA-N 2 0 281.444 1.923 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001570517675 1170174555 /nfs/dbraw/zinc/17/45/55/1170174555.db2.gz HUSVQLQROQNABD-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001662649072 1172575186 /nfs/dbraw/zinc/57/51/86/1172575186.db2.gz DQLOKAJYJSKJMX-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001662791913 1172595279 /nfs/dbraw/zinc/59/52/79/1172595279.db2.gz SSXKOCIYOWLVPX-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001664572773 1172868719 /nfs/dbraw/zinc/86/87/19/1172868719.db2.gz DWSLGKIDJNLKMT-SJORKVTESA-N 2 0 299.418 1.551 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001665856619 1173074281 /nfs/dbraw/zinc/07/42/81/1173074281.db2.gz QPNPCMMKTNXBNR-HZPDHXFCSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001672911719 1173808305 /nfs/dbraw/zinc/80/83/05/1173808305.db2.gz YXCMTDCSTVGYBO-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001674604065 1173967153 /nfs/dbraw/zinc/96/71/53/1173967153.db2.gz JZEMPUNENBQVQF-XUJLQICISA-N 2 0 277.412 1.143 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001676369989 1174215523 /nfs/dbraw/zinc/21/55/23/1174215523.db2.gz YZNQVPPJDMJXMB-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1CC ZINC001689176797 1175105911 /nfs/dbraw/zinc/10/59/11/1175105911.db2.gz LIYXURUSZPKXFV-LSDHHAIUSA-N 2 0 291.439 1.463 10 30 CDEERP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001690197872 1175402499 /nfs/dbraw/zinc/40/24/99/1175402499.db2.gz XEFRRRZRKJJWGW-INIZCTEOSA-N 2 0 293.455 1.522 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001690383276 1175456703 /nfs/dbraw/zinc/45/67/03/1175456703.db2.gz LLRWOCDOVLJKCI-GJZGRUSLSA-N 2 0 297.418 1.128 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001698826771 1175952319 /nfs/dbraw/zinc/95/23/19/1175952319.db2.gz ILVIYMKOUFDGCS-SOUVJXGZSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)CCC[NH+](C)C ZINC001698996330 1176024103 /nfs/dbraw/zinc/02/41/03/1176024103.db2.gz ZHGNAVQTILPRRO-UHFFFAOYSA-N 2 0 255.406 1.295 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001699011916 1176040139 /nfs/dbraw/zinc/04/01/39/1176040139.db2.gz ARVXFFVFTIPEAY-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001699433169 1176391370 /nfs/dbraw/zinc/39/13/70/1176391370.db2.gz MXZOADGIMPEXQE-AWEZNQCLSA-N 2 0 267.417 1.533 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001699718690 1176585994 /nfs/dbraw/zinc/58/59/94/1176585994.db2.gz UOGCKRQXETVPIR-CQSZACIVSA-N 2 0 293.455 1.826 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001699750654 1176606567 /nfs/dbraw/zinc/60/65/67/1176606567.db2.gz MZAUMGMZPWGSIG-GJZGRUSLSA-N 2 0 279.428 1.626 10 30 CDEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001700099857 1176746848 /nfs/dbraw/zinc/74/68/48/1176746848.db2.gz RNBAMAZHJGUXGJ-WMLDXEAASA-N 2 0 299.418 1.538 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001700345356 1176860867 /nfs/dbraw/zinc/86/08/67/1176860867.db2.gz CAGWGQYGXGUBLB-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001707091006 1177948962 /nfs/dbraw/zinc/94/89/62/1177948962.db2.gz NWOKBNMHUGFREQ-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001712966851 1178273640 /nfs/dbraw/zinc/27/36/40/1178273640.db2.gz UANOBAHWJOSBBG-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCCC[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001713055233 1178334347 /nfs/dbraw/zinc/33/43/47/1178334347.db2.gz LDVHXCHAFSRGJK-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713085963 1178360425 /nfs/dbraw/zinc/36/04/25/1178360425.db2.gz QQTGFOCTCPNOOQ-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001713191887 1178421928 /nfs/dbraw/zinc/42/19/28/1178421928.db2.gz SDVHNHBEJWRQOS-XHSDSOJGSA-N 2 0 291.439 1.531 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001713339476 1178508494 /nfs/dbraw/zinc/50/84/94/1178508494.db2.gz JRAZUKFDZDVVJH-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001713436037 1178559868 /nfs/dbraw/zinc/55/98/68/1178559868.db2.gz CSPBZGVKGPAAJW-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001713758996 1178741708 /nfs/dbraw/zinc/74/17/08/1178741708.db2.gz ITZDVNBTNFHHJH-CABCVRRESA-N 2 0 279.428 1.295 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001713879446 1178810476 /nfs/dbraw/zinc/81/04/76/1178810476.db2.gz BFGNCKYQZMBOOL-INIZCTEOSA-N 2 0 291.439 1.224 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001714129725 1178986656 /nfs/dbraw/zinc/98/66/56/1178986656.db2.gz CCOOWJXTSMXZIK-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001714134659 1178987603 /nfs/dbraw/zinc/98/76/03/1178987603.db2.gz JABUMPBQGAMAKK-HRCADAONSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001714137072 1178988410 /nfs/dbraw/zinc/98/84/10/1178988410.db2.gz VDPAJRQRJCGREJ-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001714427383 1179133903 /nfs/dbraw/zinc/13/39/03/1179133903.db2.gz JUFBGABTRGADEQ-CYBMUJFWSA-N 2 0 267.417 1.246 10 30 CDEERP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001714512435 1179177134 /nfs/dbraw/zinc/17/71/34/1179177134.db2.gz HUYBVLXKHUNLCG-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)CCC)CC2 ZINC001714523840 1179180670 /nfs/dbraw/zinc/18/06/70/1179180670.db2.gz RGUUSUCBUZWXJL-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001714559657 1179217831 /nfs/dbraw/zinc/21/78/31/1179217831.db2.gz KWLIKCSPPBASML-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001714671526 1179313910 /nfs/dbraw/zinc/31/39/10/1179313910.db2.gz YGGAGGSPLBKKBU-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C(C)C ZINC001714832839 1179413603 /nfs/dbraw/zinc/41/36/03/1179413603.db2.gz NCGJZPJQEZSMCZ-HOTGVXAUSA-N 2 0 293.455 1.709 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714931505 1179460201 /nfs/dbraw/zinc/46/02/01/1179460201.db2.gz ARYGNAQLFQTGMG-JKSUJKDBSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001714967755 1179482792 /nfs/dbraw/zinc/48/27/92/1179482792.db2.gz WENQYOMTTAHFJH-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001714977013 1179486560 /nfs/dbraw/zinc/48/65/60/1179486560.db2.gz GBZOJNHRLIRWEP-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001715144345 1179564474 /nfs/dbraw/zinc/56/44/74/1179564474.db2.gz XWNHJKFSGWKZFN-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCC1([NH2+]CCC)CCCC1 ZINC001715303734 1179617547 /nfs/dbraw/zinc/61/75/47/1179617547.db2.gz MKHNCRQHVLZYBA-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001715402322 1179657110 /nfs/dbraw/zinc/65/71/10/1179657110.db2.gz PIMIMYJJGYSDTH-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001715406985 1179659298 /nfs/dbraw/zinc/65/92/98/1179659298.db2.gz ZURBQLKEICXXLP-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001715648267 1179752195 /nfs/dbraw/zinc/75/21/95/1179752195.db2.gz ZIVYBZFFUUHCDW-GJZGRUSLSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715765751 1179796780 /nfs/dbraw/zinc/79/67/80/1179796780.db2.gz BINQYJSLGZSYAU-ZDUSSCGKSA-N 2 0 287.835 1.519 10 30 CDEERP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001715842314 1179865455 /nfs/dbraw/zinc/86/54/55/1179865455.db2.gz WAFUHSWYNKERLZ-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001716401905 1180188123 /nfs/dbraw/zinc/18/81/23/1180188123.db2.gz WBKKKIUTZXMHNO-GFCCVEGCSA-N 2 0 284.363 1.374 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001716452673 1180218679 /nfs/dbraw/zinc/21/86/79/1180218679.db2.gz MQZQXBCELPXEEY-XJKSGUPXSA-N 2 0 297.418 1.317 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001716769714 1180407058 /nfs/dbraw/zinc/40/70/58/1180407058.db2.gz FEHCHHSNZASNIH-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001717338639 1180622211 /nfs/dbraw/zinc/62/22/11/1180622211.db2.gz XTHAHRYXZVJFBN-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001717376716 1180637283 /nfs/dbraw/zinc/63/72/83/1180637283.db2.gz WTMJGQVWENGMSU-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001717530718 1180724626 /nfs/dbraw/zinc/72/46/26/1180724626.db2.gz WCDWXFNOULDHNX-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001717751686 1180829312 /nfs/dbraw/zinc/82/93/12/1180829312.db2.gz ZSSVLAVZWDLPJA-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001717840874 1180889305 /nfs/dbraw/zinc/88/93/05/1180889305.db2.gz MHRZYXOUGDHHGY-ZBFHGGJFSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CC ZINC001723388710 1181546255 /nfs/dbraw/zinc/54/62/55/1181546255.db2.gz GIXMRYVIYVXHMC-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001725056992 1181837692 /nfs/dbraw/zinc/83/76/92/1181837692.db2.gz IFIKWPRDDXBXKM-HOTGVXAUSA-N 2 0 291.439 1.132 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001725084777 1181851569 /nfs/dbraw/zinc/85/15/69/1181851569.db2.gz CONSDXWGIJHRPN-QWHCGFSZSA-N 2 0 267.417 1.530 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001725210976 1181924288 /nfs/dbraw/zinc/92/42/88/1181924288.db2.gz AFQBFQPZZZAMIF-HOTGVXAUSA-N 2 0 293.455 1.424 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001725612796 1182071773 /nfs/dbraw/zinc/07/17/73/1182071773.db2.gz AJFNVLSELDFJNL-BZUAXINKSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH+](CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001731338194 1182328365 /nfs/dbraw/zinc/32/83/65/1182328365.db2.gz UKOUUMWNKLMHKO-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001731394431 1182357940 /nfs/dbraw/zinc/35/79/40/1182357940.db2.gz WXRMOEHARUZPLN-HOTGVXAUSA-N 2 0 291.439 1.389 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC=C)C2CC2)CC1 ZINC001731411354 1182370324 /nfs/dbraw/zinc/37/03/24/1182370324.db2.gz SGNLQRFDOQCMLH-INIZCTEOSA-N 2 0 289.423 1.002 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001731479167 1182410065 /nfs/dbraw/zinc/41/00/65/1182410065.db2.gz NKWBPJNAQAAHEM-QXSJWSMHSA-N 2 0 289.423 1.263 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731486573 1182414563 /nfs/dbraw/zinc/41/45/63/1182414563.db2.gz FTVGPOMCQQJUCP-IYBDPMFKSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001731486319 1182415121 /nfs/dbraw/zinc/41/51/21/1182415121.db2.gz OHVYFZRUISCILW-BETUJISGSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001731616533 1182481457 /nfs/dbraw/zinc/48/14/57/1182481457.db2.gz NHUOMVBIAFVSJD-IHRRRGAJSA-N 2 0 267.417 1.387 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001731694892 1182521207 /nfs/dbraw/zinc/52/12/07/1182521207.db2.gz NHXHUBCKNMPBJI-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731734774 1182539411 /nfs/dbraw/zinc/53/94/11/1182539411.db2.gz SFLSJNSYAZGJSA-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001732184104 1182837701 /nfs/dbraw/zinc/83/77/01/1182837701.db2.gz DDGGQVQBHVADRZ-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001733037032 1183253627 /nfs/dbraw/zinc/25/36/27/1183253627.db2.gz CGBNXZKIPBTATG-SOUVJXGZSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001733251140 1183369851 /nfs/dbraw/zinc/36/98/51/1183369851.db2.gz UQTMSTIHHWDNSH-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001733329169 1183398333 /nfs/dbraw/zinc/39/83/33/1183398333.db2.gz SRKAWTXGWQEFEV-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001733759955 1183522626 /nfs/dbraw/zinc/52/26/26/1183522626.db2.gz IPGTXOWGJHXTOP-HUUCEWRRSA-N 2 0 299.434 1.823 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733994847 1183605805 /nfs/dbraw/zinc/60/58/05/1183605805.db2.gz JABZNGPNOLPMTF-CHWSQXEVSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001734001575 1183610561 /nfs/dbraw/zinc/61/05/61/1183610561.db2.gz OFQZRVLQYMMITN-QWHCGFSZSA-N 2 0 255.406 1.387 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001734215125 1183693247 /nfs/dbraw/zinc/69/32/47/1183693247.db2.gz MATVPHGCYFHNKZ-IHRRRGAJSA-N 2 0 290.411 1.649 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001734476617 1183794417 /nfs/dbraw/zinc/79/44/17/1183794417.db2.gz GEMYGEGPULTPJD-GDBMZVCRSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001750927711 1184783154 /nfs/dbraw/zinc/78/31/54/1184783154.db2.gz SHRVHOQLNTWLAB-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C[C@@H](COC(=O)[C@H]1CC2CC[N+]1(C)CC2)[N+](C)(C)C ZINC000005735184 717101196 /nfs/dbraw/zinc/10/11/96/717101196.db2.gz RBRODONAZYQAJP-XCCIUEIHSA-N 2 0 270.417 1.253 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001691708816 1164428491 /nfs/dbraw/zinc/42/84/91/1164428491.db2.gz IELYVBHDMZRLQA-OWCLPIDISA-N 2 0 291.439 1.369 10 30 CDEERP C#CCCCCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021155 1165133536 /nfs/dbraw/zinc/13/35/36/1165133536.db2.gz BGRBWYJNMJOIOR-HZPDHXFCSA-N 2 0 293.455 1.378 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000876739879 796457575 /nfs/dbraw/zinc/45/75/75/796457575.db2.gz JUMMRFHACIYKQL-OLZOCXBDSA-N 2 0 287.835 1.693 10 30 CDEERP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccc(C#N)cn2)[C@H]2CCC[C@@H]21 ZINC000927161988 797963542 /nfs/dbraw/zinc/96/35/42/797963542.db2.gz AOFLMFAYBOVOEW-PMPSAXMXSA-N 2 0 299.422 1.828 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)CCc2cncn2C)C1 ZINC001569505708 1167563297 /nfs/dbraw/zinc/56/32/97/1167563297.db2.gz GKYKWGGKXCUXGL-UHFFFAOYSA-N 2 0 290.411 1.462 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001566810744 1168430883 /nfs/dbraw/zinc/43/08/83/1168430883.db2.gz FMTZXMWVMATQQX-HDJSIYSDSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566871408 1168452584 /nfs/dbraw/zinc/45/25/84/1168452584.db2.gz BRQFRKNOVBIOTR-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001566928818 1168471745 /nfs/dbraw/zinc/47/17/45/1168471745.db2.gz NGJAAYWTQYGBBA-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001483693973 912868680 /nfs/dbraw/zinc/86/86/80/912868680.db2.gz JDSQGTWFJILGLY-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480865675 894184918 /nfs/dbraw/zinc/18/49/18/894184918.db2.gz LMOTWRPARFYTDR-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[N@@H+](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001266344488 894474573 /nfs/dbraw/zinc/47/45/73/894474573.db2.gz LDLAGJZMDSTZGJ-UHFFFAOYSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001266391065 894662939 /nfs/dbraw/zinc/66/29/39/894662939.db2.gz XWKOMNMPHNOCJM-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001266488651 895040220 /nfs/dbraw/zinc/04/02/20/895040220.db2.gz MXKMKIWCJKNGOE-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCCC[NH+]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266544528 895299217 /nfs/dbraw/zinc/29/92/17/895299217.db2.gz CMKKRHSKIKYYJO-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266807328 896088242 /nfs/dbraw/zinc/08/82/42/896088242.db2.gz JCTOSYMLCYJODS-HUUCEWRRSA-N 2 0 281.444 1.587 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001266874288 896261335 /nfs/dbraw/zinc/26/13/35/896261335.db2.gz IZIYVPLTPUUUOL-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001266974477 896474707 /nfs/dbraw/zinc/47/47/07/896474707.db2.gz FGHPWEDWMAWUGK-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267039160 896617234 /nfs/dbraw/zinc/61/72/34/896617234.db2.gz MXFBXPNYDWIHLD-HUUCEWRRSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001267044420 896627567 /nfs/dbraw/zinc/62/75/67/896627567.db2.gz RBEWTEDIJGEOOK-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC001267256195 897355341 /nfs/dbraw/zinc/35/53/41/897355341.db2.gz MVFOEVQVEBGRFX-UHFFFAOYSA-N 2 0 253.390 1.096 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001567574100 1168864880 /nfs/dbraw/zinc/86/48/80/1168864880.db2.gz XGQSOXBZHAZUIH-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001267331202 897611929 /nfs/dbraw/zinc/61/19/29/897611929.db2.gz AWFXOBMTFSVNKX-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267535864 898279892 /nfs/dbraw/zinc/27/98/92/898279892.db2.gz HIVRGPVUKGCOCL-CVEARBPZSA-N 2 0 293.455 1.424 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001267571901 898446350 /nfs/dbraw/zinc/44/63/50/898446350.db2.gz UQMGUTPIYIBSTI-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001480995529 898447824 /nfs/dbraw/zinc/44/78/24/898447824.db2.gz UFBJFYQXZYGDQK-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)CCC[NH+]1CCCCC1 ZINC001267829578 899829331 /nfs/dbraw/zinc/82/93/31/899829331.db2.gz WVYBQAKGODRHBC-MRXNPFEDSA-N 2 0 293.455 1.760 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCC1 ZINC001267841729 899854179 /nfs/dbraw/zinc/85/41/79/899854179.db2.gz XYLYKCVYZHIDIY-UHFFFAOYSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001481337007 900444495 /nfs/dbraw/zinc/44/44/95/900444495.db2.gz YRXYTSBKOYNBNZ-CQSZACIVSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268440128 902059328 /nfs/dbraw/zinc/05/93/28/902059328.db2.gz WWDYVWGYMXYLAK-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001481946044 902391341 /nfs/dbraw/zinc/39/13/41/902391341.db2.gz HKXRHRHUCSVZRT-WMLDXEAASA-N 2 0 293.455 1.779 10 30 CDEERP C[NH+](C)C1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCCCC1 ZINC000261776696 902680790 /nfs/dbraw/zinc/68/07/90/902680790.db2.gz NJJJPOGMNDFVMS-ZDUSSCGKSA-N 2 0 282.432 1.334 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001482174465 902807558 /nfs/dbraw/zinc/80/75/58/902807558.db2.gz ZVSWVJPBPPFBTO-OAHLLOKOSA-N 2 0 279.428 1.228 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001482174464 902808489 /nfs/dbraw/zinc/80/84/89/902808489.db2.gz ZVSWVJPBPPFBTO-HNNXBMFYSA-N 2 0 279.428 1.228 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001269432369 903802541 /nfs/dbraw/zinc/80/25/41/903802541.db2.gz KZYWMMVHYAUIGP-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001269442238 903808151 /nfs/dbraw/zinc/80/81/51/903808151.db2.gz CILBPINWWHIBHF-HNNXBMFYSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001269632723 903996809 /nfs/dbraw/zinc/99/68/09/903996809.db2.gz LESYOKJQYIYFIR-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001270605252 904783482 /nfs/dbraw/zinc/78/34/82/904783482.db2.gz XOCWKFFVQKPVAX-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001270830338 905115193 /nfs/dbraw/zinc/11/51/93/905115193.db2.gz QAXNTSADLZJZSZ-QGZVFWFLSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001482457143 905655500 /nfs/dbraw/zinc/65/55/00/905655500.db2.gz WVTUPPVLPQJZDP-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001271521672 906498525 /nfs/dbraw/zinc/49/85/25/906498525.db2.gz QWIKDIGMZLQNNL-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001271654488 906572969 /nfs/dbraw/zinc/57/29/69/906572969.db2.gz DSKIISLNBSDQSR-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)CCC[NH+]1CCCCC1)C(C)C ZINC001482570316 907257853 /nfs/dbraw/zinc/25/78/53/907257853.db2.gz BUVBXTHSULCYPF-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001496758518 908075386 /nfs/dbraw/zinc/07/53/86/908075386.db2.gz PGFBWMXQBMQKHD-HUUCEWRRSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482887332 908460655 /nfs/dbraw/zinc/46/06/55/908460655.db2.gz AEJQUYKJUVUTAE-CHWSQXEVSA-N 2 0 287.835 1.565 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284644 910795200 /nfs/dbraw/zinc/79/52/00/910795200.db2.gz QAPACZFIPUHMEC-KBPBESRZSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483408204 911076170 /nfs/dbraw/zinc/07/61/70/911076170.db2.gz FLGBUOJBGZLGLK-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484123992 915447804 /nfs/dbraw/zinc/44/78/04/915447804.db2.gz VVFNXKASILPYIM-WBVHZDCISA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001484378111 915693813 /nfs/dbraw/zinc/69/38/13/915693813.db2.gz MKPLCBZFQKNIBT-HOCLYGCPSA-N 2 0 293.455 1.588 10 30 CDEERP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001484410686 915732717 /nfs/dbraw/zinc/73/27/17/915732717.db2.gz KKBKGGIZEHKBQW-GASCZTMLSA-N 2 0 279.428 1.295 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001484726291 916088125 /nfs/dbraw/zinc/08/81/25/916088125.db2.gz KTOYONLRLZMXBZ-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001484722085 916103892 /nfs/dbraw/zinc/10/38/92/916103892.db2.gz RGHKSHPXRQIJLR-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001484941641 916301521 /nfs/dbraw/zinc/30/15/21/916301521.db2.gz JKGHPZMXIRYETF-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001485157397 916611702 /nfs/dbraw/zinc/61/17/02/916611702.db2.gz KZKIWJHZTCPDKZ-VXGBXAGGSA-N 2 0 287.835 1.706 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001485325020 916845815 /nfs/dbraw/zinc/84/58/15/916845815.db2.gz QGVSCDSPBPVWSY-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C[NH+](C)C1(C)CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000715518583 919319524 /nfs/dbraw/zinc/31/95/24/919319524.db2.gz LCZQUUGTNSJSGP-OWYJLGKBSA-N 2 0 280.416 1.387 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001568303606 1169233837 /nfs/dbraw/zinc/23/38/37/1169233837.db2.gz BMXNYOGDHYBVCO-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001490927197 936832321 /nfs/dbraw/zinc/83/23/21/936832321.db2.gz ZGQLLCRPRUETJV-MGPQQGTHSA-N 2 0 267.417 1.530 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001491061601 936847613 /nfs/dbraw/zinc/84/76/13/936847613.db2.gz PLSCHEHQRGLOQL-OWCLPIDISA-N 2 0 291.439 1.509 10 30 CDEERP C=CCC[C@H](O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923443049 923839429 /nfs/dbraw/zinc/83/94/29/923839429.db2.gz RXESPEHADBVPCE-UONOGXRCSA-N 2 0 268.401 1.143 10 30 CDEERP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001491210066 936876781 /nfs/dbraw/zinc/87/67/81/936876781.db2.gz MQQUSRRGUJFTOA-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001649461781 1169266095 /nfs/dbraw/zinc/26/60/95/1169266095.db2.gz HHEYQYCZBWSDLN-KBPBESRZSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001489340377 926872792 /nfs/dbraw/zinc/87/27/92/926872792.db2.gz XSHKYZUFSMXKDG-INIZCTEOSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001490599249 927248706 /nfs/dbraw/zinc/24/87/06/927248706.db2.gz QHHGFTMFHJVSCC-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001490776828 927341356 /nfs/dbraw/zinc/34/13/56/927341356.db2.gz KZVBFKAXGKIQHH-HZPDHXFCSA-N 2 0 291.439 1.132 10 30 CDEERP C#CCOCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000851727209 927611608 /nfs/dbraw/zinc/61/16/08/927611608.db2.gz GOWUWBLJTXMGOM-UHFFFAOYSA-N 2 0 250.386 1.444 10 30 CDEERP CC[NH+](CC)CCC[C@@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852855218 927896265 /nfs/dbraw/zinc/89/62/65/927896265.db2.gz WWYWOQPXZVVANL-OAHLLOKOSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000863558104 929570960 /nfs/dbraw/zinc/57/09/60/929570960.db2.gz WCVVEFSNEBDVTO-QZTJIDSGSA-N 2 0 286.419 1.667 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001274632671 931526670 /nfs/dbraw/zinc/52/66/70/931526670.db2.gz AXJXAOXYCDPAOB-LSDHHAIUSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001275858367 932098185 /nfs/dbraw/zinc/09/81/85/932098185.db2.gz JQDYNPCAHJPWFJ-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CCC3)C[C@@H]2C1 ZINC000931442973 933563188 /nfs/dbraw/zinc/56/31/88/933563188.db2.gz RFGKMNRQQWWWIP-ILXRZTDVSA-N 2 0 277.412 1.315 10 30 CDEERP C#CCN1CCC([NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC001120501578 937804270 /nfs/dbraw/zinc/80/42/70/937804270.db2.gz WRTIOVZFYGOAPN-INIZCTEOSA-N 2 0 294.439 1.120 10 30 CDEERP [NH2+]=C(NCCC[NH+]1CCCC1)NCCc1cccs1 ZINC000303778360 935043191 /nfs/dbraw/zinc/04/31/91/935043191.db2.gz JPDZFAXKWPCVQG-UHFFFAOYSA-N 2 0 280.441 1.681 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001276468465 939766588 /nfs/dbraw/zinc/76/65/88/939766588.db2.gz KDDPXXJBJCSCHK-ZBFHGGJFSA-N 2 0 293.455 1.729 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001277210162 942178368 /nfs/dbraw/zinc/17/83/68/942178368.db2.gz JFVXVCYPICVQBS-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001277282499 942285022 /nfs/dbraw/zinc/28/50/22/942285022.db2.gz BZIMUHGHXXEZAK-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001280218327 942424372 /nfs/dbraw/zinc/42/43/72/942424372.db2.gz BRRGHZVMZGGBOT-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001280533532 942458598 /nfs/dbraw/zinc/45/85/98/942458598.db2.gz ARMQHEIKCAEDHF-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001281714134 942613120 /nfs/dbraw/zinc/61/31/20/942613120.db2.gz PRYRCUMRPIHLEE-BFHYXJOUSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001282045486 942650595 /nfs/dbraw/zinc/65/05/95/942650595.db2.gz HETSUBYVCVJVAZ-UIDBIOKJSA-N 2 0 291.439 1.224 10 30 CDEERP C=CCCC[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001282073927 942654918 /nfs/dbraw/zinc/65/49/18/942654918.db2.gz LKMCHKDUIBXMMD-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001282334484 942689421 /nfs/dbraw/zinc/68/94/21/942689421.db2.gz AMAASWXNCKVHHO-HUUCEWRRSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)C[N@H+](C)C(C)C)C(C)C ZINC001282573083 942730535 /nfs/dbraw/zinc/73/05/35/942730535.db2.gz CMXKCNMXSZAHES-OAHLLOKOSA-N 2 0 281.444 1.423 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001284096020 943076269 /nfs/dbraw/zinc/07/62/69/943076269.db2.gz KUGZAOPZDCTPSD-RRFJBIMHSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001284244318 943130168 /nfs/dbraw/zinc/13/01/68/943130168.db2.gz IYLGHWLCHWWOIO-JKSUJKDBSA-N 2 0 291.439 1.370 10 30 CDEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001277725801 943420880 /nfs/dbraw/zinc/42/08/80/943420880.db2.gz BXCGAKCLYFCTNQ-GJZGRUSLSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001265092534 944227402 /nfs/dbraw/zinc/22/74/02/944227402.db2.gz RZQCEBYYJXLUPK-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CCCC[NH+](C)C)CC1 ZINC001265334511 944348775 /nfs/dbraw/zinc/34/87/75/944348775.db2.gz SRBIQCQLPGUWTA-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP CC[NH+](CC)C1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001261552126 946170863 /nfs/dbraw/zinc/17/08/63/946170863.db2.gz HCROWSILTDLDHV-HNNXBMFYSA-N 2 0 294.443 1.730 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001479241580 971271847 /nfs/dbraw/zinc/27/18/47/971271847.db2.gz QVYVZXHBNJKGCM-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001479715155 971380419 /nfs/dbraw/zinc/38/04/19/971380419.db2.gz RUGRNLGJVOWMDB-QLFBSQMISA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001479828912 971440429 /nfs/dbraw/zinc/44/04/29/971440429.db2.gz GSQYGLIDQAQUCL-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001279017705 948603494 /nfs/dbraw/zinc/60/34/94/948603494.db2.gz MYANOEDIAKDVDR-LSDHHAIUSA-N 2 0 288.395 1.123 10 30 CDEERP CC#CC[NH+]1CCC(N(CCC)C(=O)CC[NH+](C)C)CC1 ZINC001479995355 971524947 /nfs/dbraw/zinc/52/49/47/971524947.db2.gz MJVUVVYOJYTYCU-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001324453168 953396661 /nfs/dbraw/zinc/39/66/61/953396661.db2.gz IVQGVXMJNIDQIT-CABCVRRESA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001316655025 954462508 /nfs/dbraw/zinc/46/25/08/954462508.db2.gz LKESAXGHFNRFKW-RRFJBIMHSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001328858867 955518030 /nfs/dbraw/zinc/51/80/30/955518030.db2.gz FADBVILBXDQLCU-UYSNPLJNSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492024591 955612668 /nfs/dbraw/zinc/61/26/68/955612668.db2.gz SQDGSMDSTOVHIU-HOCLYGCPSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001330031262 956243160 /nfs/dbraw/zinc/24/31/60/956243160.db2.gz KGXAMQQQXCQSGY-AWEZNQCLSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001316859329 956646421 /nfs/dbraw/zinc/64/64/21/956646421.db2.gz NVEQZAHDRPOYKX-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001316727671 956956886 /nfs/dbraw/zinc/95/68/86/956956886.db2.gz VLDSCLVIULIDMU-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001317031228 957215590 /nfs/dbraw/zinc/21/55/90/957215590.db2.gz SPBLIWPJWBLGHS-AWEZNQCLSA-N 2 0 277.412 1.143 10 30 CDEERP C#CCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317202075 957340334 /nfs/dbraw/zinc/34/03/34/957340334.db2.gz DUVWTUZVXQGEEM-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001331928121 957340468 /nfs/dbraw/zinc/34/04/68/957340468.db2.gz KVKCWHLMMGDORG-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001317509065 957517771 /nfs/dbraw/zinc/51/77/71/957517771.db2.gz LTZQZBCRBFRKKD-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001317615237 957599529 /nfs/dbraw/zinc/59/95/29/957599529.db2.gz VQFRKRNKWKBOBF-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001317795762 957666722 /nfs/dbraw/zinc/66/67/22/957666722.db2.gz OEEDFDBWLTUDKU-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001318415048 958090131 /nfs/dbraw/zinc/09/01/31/958090131.db2.gz WBCGJWWLYISJAF-LSDHHAIUSA-N 2 0 281.444 1.826 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001494828278 972318667 /nfs/dbraw/zinc/31/86/67/972318667.db2.gz CMCQUBOTLKGPIY-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001494901695 972332496 /nfs/dbraw/zinc/33/24/96/972332496.db2.gz VVZZOMXOEOZQHY-HUUCEWRRSA-N 2 0 299.434 1.775 10 30 CDEERP CC#CC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001333354243 958277676 /nfs/dbraw/zinc/27/76/76/958277676.db2.gz GQTKJPYKNRNVQH-INIZCTEOSA-N 2 0 291.439 1.344 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001318959517 958321171 /nfs/dbraw/zinc/32/11/71/958321171.db2.gz QPHHJPPFZSKRQE-JYJNAYRXSA-N 2 0 293.455 1.613 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001319374070 958524618 /nfs/dbraw/zinc/52/46/18/958524618.db2.gz CPZCBSBVTFJAIJ-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001319788131 958727780 /nfs/dbraw/zinc/72/77/80/958727780.db2.gz LSWJKTSMEIWOFT-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001319867281 958763136 /nfs/dbraw/zinc/76/31/36/958763136.db2.gz BRIUXWBWKFEVRR-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001368888009 959228766 /nfs/dbraw/zinc/22/87/66/959228766.db2.gz AEFUQSSTTBGEFI-NEPJUHHUSA-N 2 0 275.824 1.562 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001320922665 959459753 /nfs/dbraw/zinc/45/97/53/959459753.db2.gz VKVJZAUDUPUSOF-LBPRGKRZSA-N 2 0 273.808 1.129 10 30 CDEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001323613715 960864740 /nfs/dbraw/zinc/86/47/40/960864740.db2.gz JMOBPYSFTBVKBB-KBPBESRZSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC001340751005 963107372 /nfs/dbraw/zinc/10/73/72/963107372.db2.gz MEYHKIKIJJPEDF-UONOGXRCSA-N 2 0 265.401 1.223 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H](C)CC[NH+](CC)CC)CCC[NH2+]1 ZINC001341948544 963585268 /nfs/dbraw/zinc/58/52/68/963585268.db2.gz AXMCZVQMXYPCBZ-GDBMZVCRSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC001342017231 963611709 /nfs/dbraw/zinc/61/17/09/963611709.db2.gz ZANOEXHPBYCGCH-QWHCGFSZSA-N 2 0 265.401 1.461 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)CCC[NH2+]1 ZINC001342432209 963738787 /nfs/dbraw/zinc/73/87/87/963738787.db2.gz LPDHCNFKSMZOJE-NFAWXSAZSA-N 2 0 265.401 1.047 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001343217182 963930383 /nfs/dbraw/zinc/93/03/83/963930383.db2.gz MYTXYKASIAFCDF-JJXSEGSLSA-N 2 0 293.455 1.859 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001441362950 964475952 /nfs/dbraw/zinc/47/59/52/964475952.db2.gz HHEHMLVVRSUTDJ-MRVWCRGKSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001442079567 964858367 /nfs/dbraw/zinc/85/83/67/964858367.db2.gz GGGKYZALZJKRSU-CJNGLKHVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001496845447 973120693 /nfs/dbraw/zinc/12/06/93/973120693.db2.gz RNJBVKNENKUZQX-HNNXBMFYSA-N 2 0 281.444 1.683 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497222274 973251118 /nfs/dbraw/zinc/25/11/18/973251118.db2.gz VGVSGPDTFNLHKI-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001497424094 973340509 /nfs/dbraw/zinc/34/05/09/973340509.db2.gz YUYYTPKLUWUUEF-UHFFFAOYSA-N 2 0 299.378 1.505 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001373823527 973657586 /nfs/dbraw/zinc/65/75/86/973657586.db2.gz YDVXBMUROXIROC-OLZOCXBDSA-N 2 0 287.835 1.565 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001498399892 973886850 /nfs/dbraw/zinc/88/68/50/973886850.db2.gz ROCUYPFGONZHKS-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001498771569 974056428 /nfs/dbraw/zinc/05/64/28/974056428.db2.gz WBYKESDEAXONSM-CQSZACIVSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001498771379 974057907 /nfs/dbraw/zinc/05/79/07/974057907.db2.gz YFZORDVSISBDIT-JKSUJKDBSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001500271442 974414961 /nfs/dbraw/zinc/41/49/61/974414961.db2.gz FYPHARORUBMGSZ-KRWDZBQOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001502390485 974732476 /nfs/dbraw/zinc/73/24/76/974732476.db2.gz GNQNNGXLLMAXTH-ZDUSSCGKSA-N 2 0 255.406 1.293 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001503326480 974818438 /nfs/dbraw/zinc/81/84/38/974818438.db2.gz GCTFQTMGMKZVRO-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001505725079 974973864 /nfs/dbraw/zinc/97/38/64/974973864.db2.gz OYFZRFRBMARPAF-CABCVRRESA-N 2 0 293.455 1.613 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001506065015 975105853 /nfs/dbraw/zinc/10/58/53/975105853.db2.gz HFKLZPAIEWOLKY-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001377766479 975131878 /nfs/dbraw/zinc/13/18/78/975131878.db2.gz NMRULVVPRTXSDC-UONOGXRCSA-N 2 0 299.846 1.471 10 30 CDEERP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001506576161 975182239 /nfs/dbraw/zinc/18/22/39/975182239.db2.gz QQUPXJWXPAZOQD-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001506616433 975189599 /nfs/dbraw/zinc/18/95/99/975189599.db2.gz MWHIJKKRXRXERC-ZFWWWQNUSA-N 2 0 297.418 1.126 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001507419572 975462480 /nfs/dbraw/zinc/46/24/80/975462480.db2.gz VEMJVARPJLJCEQ-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001401866344 975958184 /nfs/dbraw/zinc/95/81/84/975958184.db2.gz JJJSIOMYJXZNNL-FZMZJTMJSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001390535972 976356211 /nfs/dbraw/zinc/35/62/11/976356211.db2.gz GNUDFMFBYRNZRW-STQMWFEESA-N 2 0 287.835 1.708 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001674396556 1173937890 /nfs/dbraw/zinc/93/78/90/1173937890.db2.gz YMPMXBXINQTECI-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001676228953 1174195445 /nfs/dbraw/zinc/19/54/45/1174195445.db2.gz VSAWXZPCZJBENW-HOTGVXAUSA-N 2 0 293.455 1.423 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001570363542 1170143086 /nfs/dbraw/zinc/14/30/86/1170143086.db2.gz CRIKZZUCFXMQTD-KGLIPLIRSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001656991428 1171910686 /nfs/dbraw/zinc/91/06/86/1171910686.db2.gz MUGCYDVUIDVXIW-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437256 342898484 /nfs/dbraw/zinc/89/84/84/342898484.db2.gz VFFZBVUHELCZCJ-KBPBESRZSA-N 2 0 280.416 1.340 10 30 CDEERP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594437258 342898967 /nfs/dbraw/zinc/89/89/67/342898967.db2.gz VFFZBVUHELCZCJ-UONOGXRCSA-N 2 0 280.416 1.340 10 30 CDEERP C[N@H+](CCCC[NH2+]C[C@@H](O)CC1(C#N)CC1)C1CC1 ZINC000600738202 342246511 /nfs/dbraw/zinc/24/65/11/342246511.db2.gz ZCLVCKODJHSJCQ-AWEZNQCLSA-N 2 0 265.401 1.505 10 30 CDEERP N#CC1(C[C@H](O)C[NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000600738934 342246677 /nfs/dbraw/zinc/24/66/77/342246677.db2.gz MPXXHIFDXNANLT-HNNXBMFYSA-N 2 0 279.428 1.897 10 30 CDEERP C[NH+](C)CCC[C@H]1C[N@H+](CCCCC#N)CCO1 ZINC000595907759 343188833 /nfs/dbraw/zinc/18/88/33/343188833.db2.gz XRBHETHVVHWUEP-AWEZNQCLSA-N 2 0 253.390 1.723 10 30 CDEERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1(C#N)CC(C)C1 ZINC000597941479 343673772 /nfs/dbraw/zinc/67/37/72/343673772.db2.gz BASQILPUUJZNRE-BBBYJDLNSA-N 2 0 294.443 1.314 10 30 CDEERP CCN1CCO[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135179281 357759937 /nfs/dbraw/zinc/75/99/37/357759937.db2.gz WUKATHOZSJNGKY-ZDUSSCGKSA-N 2 0 253.390 1.627 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001661498271 1172399298 /nfs/dbraw/zinc/39/92/98/1172399298.db2.gz JUIYMCDWXOQSPQ-JOCQHMNTSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC(C[NH2+]C)CC2)CCC[NH2+]1 ZINC000662415821 412989061 /nfs/dbraw/zinc/98/90/61/412989061.db2.gz ZSFKQFPQXAWASE-HNNXBMFYSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001663928202 1172790182 /nfs/dbraw/zinc/79/01/82/1172790182.db2.gz RBOYWTKZTIIWHU-ZDUSSCGKSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[N@@H+](C)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001664894477 1172923860 /nfs/dbraw/zinc/92/38/60/1172923860.db2.gz XNKNPBHNJHJJPS-INIZCTEOSA-N 2 0 291.439 1.132 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662703801 413349503 /nfs/dbraw/zinc/34/95/03/413349503.db2.gz UVDFYIFIOULUHJ-DOMZBBRYSA-N 2 0 263.385 1.038 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001665676009 1173035591 /nfs/dbraw/zinc/03/55/91/1173035591.db2.gz HIGUBFJHPJXJKY-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP C[N@H+](Cc1sccc1C#CC[NH3+])C1CCOCC1 ZINC000043683758 175091676 /nfs/dbraw/zinc/09/16/76/175091676.db2.gz DUEIGOBBWIVOAW-UHFFFAOYSA-N 2 0 264.394 1.669 10 30 CDEERP N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531159 175195853 /nfs/dbraw/zinc/19/58/53/175195853.db2.gz PLXVNAAGLYIHEY-CYBMUJFWSA-N 2 0 286.379 1.558 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001669622548 1173577774 /nfs/dbraw/zinc/57/77/74/1173577774.db2.gz NPYHPSXQOZKNLS-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267022198 1159089791 /nfs/dbraw/zinc/08/97/91/1159089791.db2.gz CYWDAGFHOYXYTH-AWEZNQCLSA-N 2 0 277.412 1.239 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001698903059 1159154936 /nfs/dbraw/zinc/15/49/36/1159154936.db2.gz ZURWBMCDCONXEJ-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C[NH+]=C(NC1CCC1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262809508 330033238 /nfs/dbraw/zinc/03/32/38/330033238.db2.gz URSDEGBOYZUERW-CMPLNLGQSA-N 2 0 250.390 1.329 10 30 CDEERP N#CCCC[C@@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000580433011 330132132 /nfs/dbraw/zinc/13/21/32/330132132.db2.gz ANDNTKZWLRZMPS-CABCVRRESA-N 2 0 286.379 1.092 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001731629461 1159317269 /nfs/dbraw/zinc/31/72/69/1159317269.db2.gz GZPSSSBSBZSYHP-ZDUSSCGKSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267667238 1159562326 /nfs/dbraw/zinc/56/23/26/1159562326.db2.gz QJOHHYMIXVWKPF-KBPBESRZSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001271093448 1160244479 /nfs/dbraw/zinc/24/44/79/1160244479.db2.gz OENZZAAMPRYCPO-ZIAGYGMSSA-N 2 0 269.433 1.585 10 30 CDEERP CC#CC[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001677603118 1174376650 /nfs/dbraw/zinc/37/66/50/1174376650.db2.gz HQQHPXBOMLQLKR-HNNXBMFYSA-N 2 0 289.423 1.100 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001483272103 1160889268 /nfs/dbraw/zinc/88/92/68/1160889268.db2.gz KDPOERVNBZKWKN-GJZGRUSLSA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001732165292 1182823798 /nfs/dbraw/zinc/82/37/98/1182823798.db2.gz MIXMGHLUVRGNOS-ZDUSSCGKSA-N 2 0 265.401 1.189 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001734326587 1183733825 /nfs/dbraw/zinc/73/38/25/1183733825.db2.gz MQPFDYXSUYMAIW-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001734571369 1183829570 /nfs/dbraw/zinc/82/95/70/1183829570.db2.gz UIWLQKBTDWVDNQ-CQSZACIVSA-N 2 0 281.444 1.472 10 30 CDEERP C[N@H+](Cc1cccc(C#CC[NH3+])c1)[C@H]1CCSC1 ZINC000049609008 523292030 /nfs/dbraw/zinc/29/20/30/523292030.db2.gz ABZGIITWFURIPJ-HNNXBMFYSA-N 2 0 260.406 1.934 10 30 CDEERP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1C#CC[NH3+] ZINC000049609833 523344481 /nfs/dbraw/zinc/34/44/81/523344481.db2.gz KQKQYESBRYZEJW-YOEHRIQHSA-N 2 0 272.392 1.996 10 30 CDEERP C[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000049189231 524314949 /nfs/dbraw/zinc/31/49/49/524314949.db2.gz PJWXPOQCPYNTIH-GFCCVEGCSA-N 2 0 291.420 1.272 10 30 CDEERP [NH3+]CC#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000049608684 527147453 /nfs/dbraw/zinc/14/74/53/527147453.db2.gz NIDRCUMKVYHNGQ-QGZVFWFLSA-N 2 0 290.382 1.873 10 30 CDEERP C=C(C)CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665761771 538416656 /nfs/dbraw/zinc/41/66/56/538416656.db2.gz PLNSTZQFFVTTSG-ZDUSSCGKSA-N 2 0 270.421 1.134 10 30 CDEERP C#CCC[N@@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001691760137 1174688320 /nfs/dbraw/zinc/68/83/20/1174688320.db2.gz LHJJCKYWAMAYOQ-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001689965474 1174706071 /nfs/dbraw/zinc/70/60/71/1174706071.db2.gz UMEKIIMNONILGG-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000909436407 619262085 /nfs/dbraw/zinc/26/20/85/619262085.db2.gz MPWYXTXVTLLIPO-AWEZNQCLSA-N 2 0 267.417 1.435 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000900526551 623176696 /nfs/dbraw/zinc/17/66/96/623176696.db2.gz DPEGFDCYIMACPI-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000900782581 623473942 /nfs/dbraw/zinc/47/39/42/623473942.db2.gz NSHMCQGZVPGZDF-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=CCN1CCC([NH2+]C[C@@](O)(CC)C(F)(F)F)CC1 ZINC000905093846 626635598 /nfs/dbraw/zinc/63/55/98/626635598.db2.gz CLWYJWVQIMDCHB-LBPRGKRZSA-N 2 0 280.334 1.930 10 30 CDEERP C=CC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001691066772 1158877931 /nfs/dbraw/zinc/87/79/31/1158877931.db2.gz VAPILAXNCBYMAW-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001691107547 1158911835 /nfs/dbraw/zinc/91/18/35/1158911835.db2.gz HNUYNQNGQMWOKL-GASCZTMLSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000876874042 1165931648 /nfs/dbraw/zinc/93/16/48/1165931648.db2.gz YRMNTOBATQELNW-AWEZNQCLSA-N 2 0 299.846 1.933 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000876940004 1165944193 /nfs/dbraw/zinc/94/41/93/1165944193.db2.gz OAZVGSQXGJRRON-WDEREUQCSA-N 2 0 271.792 1.247 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000877452288 1166039058 /nfs/dbraw/zinc/03/90/58/1166039058.db2.gz WJPLAAJDAJPTKA-QJPTWQEYSA-N 2 0 271.792 1.151 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001691747742 1167351290 /nfs/dbraw/zinc/35/12/90/1167351290.db2.gz COHGMBWUPXJGQA-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001566738972 1168406043 /nfs/dbraw/zinc/40/60/43/1168406043.db2.gz RDOVJMMRHYWMIG-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001567714558 1168932721 /nfs/dbraw/zinc/93/27/21/1168932721.db2.gz OFOSRUWPRXHBHM-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001569118817 1169669305 /nfs/dbraw/zinc/66/93/05/1169669305.db2.gz WIFBNIAUFTWGEO-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001569317758 1169762759 /nfs/dbraw/zinc/76/27/59/1169762759.db2.gz FIMHDSBNPXXPJP-HUUCEWRRSA-N 2 0 281.444 1.633 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001663547234 1172720474 /nfs/dbraw/zinc/72/04/74/1172720474.db2.gz BTQZDAKYQRNTBW-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC)C1 ZINC001672810286 1173801353 /nfs/dbraw/zinc/80/13/53/1173801353.db2.gz MUIWRSSNCHMWAH-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001674353511 1173936363 /nfs/dbraw/zinc/93/63/63/1173936363.db2.gz ORIQQFASSJIBJM-INIZCTEOSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001690288913 1175426283 /nfs/dbraw/zinc/42/62/83/1175426283.db2.gz NQYKHDGDSDGJJN-JOCQHMNTSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001690370441 1175451909 /nfs/dbraw/zinc/45/19/09/1175451909.db2.gz VSZHBFVPVZMYIE-XHSDSOJGSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001690540369 1175491241 /nfs/dbraw/zinc/49/12/41/1175491241.db2.gz KSGMUVDUANWBBC-UHFFFAOYSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001690821369 1175580419 /nfs/dbraw/zinc/58/04/19/1175580419.db2.gz VEVCEGUDFYOJGW-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)CC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001690946905 1175624013 /nfs/dbraw/zinc/62/40/13/1175624013.db2.gz TYBKGUABHMVHDS-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001691912954 1175650288 /nfs/dbraw/zinc/65/02/88/1175650288.db2.gz BFUUATSPWBFGJS-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001698601153 1175866532 /nfs/dbraw/zinc/86/65/32/1175866532.db2.gz OSCVMSWTUDVDPU-QLFBSQMISA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001698605206 1175869027 /nfs/dbraw/zinc/86/90/27/1175869027.db2.gz UKEBBGGDKOKMJJ-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001698890485 1175979172 /nfs/dbraw/zinc/97/91/72/1175979172.db2.gz FTBAJEIIXVQZCR-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001698951688 1175993630 /nfs/dbraw/zinc/99/36/30/1175993630.db2.gz GHMHIFZUYJEJFW-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001699377960 1176338573 /nfs/dbraw/zinc/33/85/73/1176338573.db2.gz SUVKVQAVHPNZBJ-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001699450203 1176413429 /nfs/dbraw/zinc/41/34/29/1176413429.db2.gz IWSFMPLKHIJOBU-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001699469533 1176432355 /nfs/dbraw/zinc/43/23/55/1176432355.db2.gz MEHXDQKCQIYPJG-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001699972686 1176703341 /nfs/dbraw/zinc/70/33/41/1176703341.db2.gz MRLGJWHBMKSXPP-CABCVRRESA-N 2 0 281.444 1.588 10 30 CDEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001700099855 1176746445 /nfs/dbraw/zinc/74/64/45/1176746445.db2.gz RNBAMAZHJGUXGJ-PBHICJAKSA-N 2 0 299.418 1.538 10 30 CDEERP C=C(C)CC[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001700106559 1176748468 /nfs/dbraw/zinc/74/84/68/1176748468.db2.gz OVCDFIZYKIJIFZ-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001700440070 1176929465 /nfs/dbraw/zinc/92/94/65/1176929465.db2.gz MDFFQJUFONOURE-ZIAGYGMSSA-N 2 0 281.444 1.587 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCC=C)CC1 ZINC001700486948 1176976084 /nfs/dbraw/zinc/97/60/84/1176976084.db2.gz HMKUCGQXOFIHCR-OAHLLOKOSA-N 2 0 291.439 1.344 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001700988451 1177228542 /nfs/dbraw/zinc/22/85/42/1177228542.db2.gz QJVKKILGKSKOKQ-LSDHHAIUSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001713491239 1178604276 /nfs/dbraw/zinc/60/42/76/1178604276.db2.gz FPFXUOVRZGCYOA-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713510503 1178617110 /nfs/dbraw/zinc/61/71/10/1178617110.db2.gz AXGDZTYHKZLGLT-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713541871 1178634743 /nfs/dbraw/zinc/63/47/43/1178634743.db2.gz OJVGFLCJBONDPC-JKSUJKDBSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001713692740 1178712915 /nfs/dbraw/zinc/71/29/15/1178712915.db2.gz GBTLVRHWZHTYDE-UHFFFAOYSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001713925867 1178849541 /nfs/dbraw/zinc/84/95/41/1178849541.db2.gz PCVVCELZFKINEQ-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001714090710 1178968484 /nfs/dbraw/zinc/96/84/84/1178968484.db2.gz AEJOYROKMWTEIZ-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001714117033 1178980426 /nfs/dbraw/zinc/98/04/26/1178980426.db2.gz YVVKATKRGSWZSK-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714148893 1178991330 /nfs/dbraw/zinc/99/13/30/1178991330.db2.gz BHOQUEQJDKMANS-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001714524486 1179181063 /nfs/dbraw/zinc/18/10/63/1179181063.db2.gz QOJZNTJCCOINMH-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001715059946 1179535109 /nfs/dbraw/zinc/53/51/09/1179535109.db2.gz LNEMPSUCZFHIAO-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cnc2C)C[C@H]1C ZINC001715096373 1179549935 /nfs/dbraw/zinc/54/99/35/1179549935.db2.gz FKTQVFMIKKHQKM-OCCSQVGLSA-N 2 0 288.395 1.111 10 30 CDEERP C#CCC[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001715115376 1179556530 /nfs/dbraw/zinc/55/65/30/1179556530.db2.gz SJBITOUTPWOWKV-QGZVFWFLSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001715122761 1179558835 /nfs/dbraw/zinc/55/88/35/1179558835.db2.gz FFKDBWLGTJEUSO-HNNXBMFYSA-N 2 0 265.401 1.143 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715928730 1179922582 /nfs/dbraw/zinc/92/25/82/1179922582.db2.gz WULLQUCUBNWKFQ-ZIAGYGMSSA-N 2 0 267.417 1.530 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001716004024 1179976563 /nfs/dbraw/zinc/97/65/63/1179976563.db2.gz JOFMWYQVIFOFBY-AWEZNQCLSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001716038282 1180012976 /nfs/dbraw/zinc/01/29/76/1180012976.db2.gz MGJBTTZKXZHGMN-KKUMJFAQSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001716221034 1180108724 /nfs/dbraw/zinc/10/87/24/1180108724.db2.gz ZOQZKGPSFQUJCH-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716447457 1180215030 /nfs/dbraw/zinc/21/50/30/1180215030.db2.gz GLDOBXPWKKMJOT-LBPRGKRZSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001716522185 1180265861 /nfs/dbraw/zinc/26/58/61/1180265861.db2.gz MYQUKLUPECMCBQ-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001716693503 1180374904 /nfs/dbraw/zinc/37/49/04/1180374904.db2.gz KMTKVXOYKCZJOC-INIZCTEOSA-N 2 0 297.418 1.623 10 30 CDEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001716897514 1180457178 /nfs/dbraw/zinc/45/71/78/1180457178.db2.gz CQKAGBSKOPOUPF-QGZVFWFLSA-N 2 0 293.455 1.570 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001717202026 1180570254 /nfs/dbraw/zinc/57/02/54/1180570254.db2.gz MVHITIOJACVYQF-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717479505 1180697853 /nfs/dbraw/zinc/69/78/53/1180697853.db2.gz QJEDNEAYEJABQB-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001717492644 1180707750 /nfs/dbraw/zinc/70/77/50/1180707750.db2.gz HNNIKFJFLJDJFV-CQSZACIVSA-N 2 0 287.407 1.432 10 30 CDEERP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001717589106 1180750733 /nfs/dbraw/zinc/75/07/33/1180750733.db2.gz LZQJVDDNNBGTPV-CQSZACIVSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001717732720 1180814919 /nfs/dbraw/zinc/81/49/19/1180814919.db2.gz RMYXHTVDQDQOMA-MRXNPFEDSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001717806910 1180866307 /nfs/dbraw/zinc/86/63/07/1180866307.db2.gz ZZAKTVRJKGQIIY-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001717806909 1180866756 /nfs/dbraw/zinc/86/67/56/1180866756.db2.gz ZZAKTVRJKGQIIY-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001723528981 1181583706 /nfs/dbraw/zinc/58/37/06/1181583706.db2.gz IXEDHELLLFGJJY-UONOGXRCSA-N 2 0 277.412 1.428 10 30 CDEERP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001723632681 1181592677 /nfs/dbraw/zinc/59/26/77/1181592677.db2.gz RUNWZYGVFIGPIN-CABCVRRESA-N 2 0 289.423 1.027 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C1CCCC1 ZINC001724096816 1181635674 /nfs/dbraw/zinc/63/56/74/1181635674.db2.gz ZAKPHAIQPZWCRS-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001724779549 1181749161 /nfs/dbraw/zinc/74/91/61/1181749161.db2.gz LZUVTHOTGOMCSN-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001724859237 1181780339 /nfs/dbraw/zinc/78/03/39/1181780339.db2.gz AMZWVELGDOXAAF-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001725194467 1181918128 /nfs/dbraw/zinc/91/81/28/1181918128.db2.gz JUKJSPMWFDZKFA-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001725394737 1181987184 /nfs/dbraw/zinc/98/71/84/1181987184.db2.gz DIRPDFIDTWKQDI-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001725495094 1182023660 /nfs/dbraw/zinc/02/36/60/1182023660.db2.gz LPLWVMGDKWPPLX-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001725636431 1182080753 /nfs/dbraw/zinc/08/07/53/1182080753.db2.gz QZXFJEFELZTAFJ-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001725658365 1182089574 /nfs/dbraw/zinc/08/95/74/1182089574.db2.gz MCORINNHUBIZBC-GJZGRUSLSA-N 2 0 291.439 1.533 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001725677762 1182094726 /nfs/dbraw/zinc/09/47/26/1182094726.db2.gz ROPONBQSXQEEBY-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001731270973 1182287360 /nfs/dbraw/zinc/28/73/60/1182287360.db2.gz FMMIORSSHFCHNR-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001731462059 1182399933 /nfs/dbraw/zinc/39/99/33/1182399933.db2.gz YFMXOYZYPCMHJE-SHTZXODSSA-N 2 0 279.428 1.675 10 30 CDEERP C#CCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001731556728 1182446870 /nfs/dbraw/zinc/44/68/70/1182446870.db2.gz BIGRKCQJCZVVON-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001731694890 1182520275 /nfs/dbraw/zinc/52/02/75/1182520275.db2.gz NHXHUBCKNMPBJI-CABCVRRESA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001731805212 1182596042 /nfs/dbraw/zinc/59/60/42/1182596042.db2.gz PMHKIZFBPWSJJP-ZIAGYGMSSA-N 2 0 290.411 1.918 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001731961454 1182702227 /nfs/dbraw/zinc/70/22/27/1182702227.db2.gz PLHVFHMWGRXMBK-KBPBESRZSA-N 2 0 299.846 1.804 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001732070082 1182751491 /nfs/dbraw/zinc/75/14/91/1182751491.db2.gz BCYKZZBWWXTCGB-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001732073195 1182751518 /nfs/dbraw/zinc/75/15/18/1182751518.db2.gz XITCBMBVHXUTGI-CYBMUJFWSA-N 2 0 296.374 1.590 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001732207038 1182856765 /nfs/dbraw/zinc/85/67/65/1182856765.db2.gz VTZDIOZOGPJVIA-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP CC#CC[N@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001732591676 1183033963 /nfs/dbraw/zinc/03/39/63/1183033963.db2.gz ARSIHXBSMNURQH-UHFFFAOYSA-N 2 0 281.444 1.378 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732907584 1183179876 /nfs/dbraw/zinc/17/98/76/1183179876.db2.gz BLWWHNIKKVGWCE-IDTUSYRASA-N 2 0 277.412 1.146 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001733130355 1183301734 /nfs/dbraw/zinc/30/17/34/1183301734.db2.gz CHPOTMIIKWAJEA-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001733226124 1183351459 /nfs/dbraw/zinc/35/14/59/1183351459.db2.gz PDUNXULTIHNTRG-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001733426943 1183430332 /nfs/dbraw/zinc/43/03/32/1183430332.db2.gz LIUYERXQEXZNMO-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001733440666 1183433715 /nfs/dbraw/zinc/43/37/15/1183433715.db2.gz IVTHWSBUMBEPFT-INIZCTEOSA-N 2 0 291.439 1.487 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001733938115 1183574876 /nfs/dbraw/zinc/57/48/76/1183574876.db2.gz NUKHVKCDGFVVSF-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001733943356 1183578334 /nfs/dbraw/zinc/57/83/34/1183578334.db2.gz JIKGKWSSWBONHW-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001734129279 1183669222 /nfs/dbraw/zinc/66/92/22/1183669222.db2.gz BWLQPRCLBSXPFH-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCCC)CC1 ZINC001734355880 1183744769 /nfs/dbraw/zinc/74/47/69/1183744769.db2.gz IECCXXLDXJDYBJ-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000876723269 1165900853 /nfs/dbraw/zinc/90/08/53/1165900853.db2.gz QZKQIBWXAWCNCE-WXHSDQCUSA-N 2 0 287.835 1.693 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000876846963 1165926922 /nfs/dbraw/zinc/92/69/22/1165926922.db2.gz GXRAUEJJMDBSRO-MNOVXSKESA-N 2 0 259.781 1.186 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CCC[NH2+]1 ZINC000877259150 805339929 /nfs/dbraw/zinc/33/99/29/805339929.db2.gz ZJKMQCOQIVCPFV-IAGOWNOFSA-N 2 0 293.455 1.908 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CCC)CC[NH+](C)C ZINC000876939540 811371573 /nfs/dbraw/zinc/37/15/73/811371573.db2.gz HELMADABOLGLPY-NSHDSACASA-N 2 0 261.797 1.257 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858466 811380580 /nfs/dbraw/zinc/38/05/80/811380580.db2.gz SSFUJTBSLYURJU-CHWSQXEVSA-N 2 0 266.385 1.616 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000876726926 811858169 /nfs/dbraw/zinc/85/81/69/811858169.db2.gz BSMSUURITGOWSS-ZYHUDNBSSA-N 2 0 271.792 1.057 10 30 CDEERP C=C(Cl)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105915559 812893983 /nfs/dbraw/zinc/89/39/83/812893983.db2.gz CUIHLDDGUAPLIN-LBPRGKRZSA-N 2 0 260.809 1.764 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1C[NH2+]C ZINC000876509878 814643960 /nfs/dbraw/zinc/64/39/60/814643960.db2.gz NTUAKOORURIAEP-NSHDSACASA-N 2 0 267.760 1.814 10 30 CDEERP C=CC[C@@]1(C(=O)N(C)CCCCCC[NH3+])CCC[NH2+]1 ZINC000877436804 817436784 /nfs/dbraw/zinc/43/67/84/817436784.db2.gz NDRAPORJGVSUJA-HNNXBMFYSA-N 2 0 267.417 1.662 10 30 CDEERP C[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)[C@@H]1CCC[NH3+] ZINC000852912242 817749720 /nfs/dbraw/zinc/74/97/20/817749720.db2.gz OSCMQIGUYDYJLV-GDBMZVCRSA-N 2 0 291.439 1.355 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001569681581 1167565529 /nfs/dbraw/zinc/56/55/29/1167565529.db2.gz OCVXHOVIVXCTAS-HNNXBMFYSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001566682838 1168032075 /nfs/dbraw/zinc/03/20/75/1168032075.db2.gz OASLPRXDDDTPAT-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001266489218 895040575 /nfs/dbraw/zinc/04/05/75/895040575.db2.gz YVDCGWJDRRPUKK-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266517820 895195731 /nfs/dbraw/zinc/19/57/31/895195731.db2.gz NYNPXANOPAUWPH-GJZGRUSLSA-N 2 0 281.444 1.587 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266560390 895362355 /nfs/dbraw/zinc/36/23/55/895362355.db2.gz KOLLSFYCAWKNEX-OAHLLOKOSA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266734910 895943304 /nfs/dbraw/zinc/94/33/04/895943304.db2.gz BYKFJIUAMVWQHO-OWCLPIDISA-N 2 0 291.439 1.367 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001266974475 896474581 /nfs/dbraw/zinc/47/45/81/896474581.db2.gz FGHPWEDWMAWUGK-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[N@H+](C)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001267209763 897156554 /nfs/dbraw/zinc/15/65/54/897156554.db2.gz KWCQIGNITNERAI-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001267596274 898651822 /nfs/dbraw/zinc/65/18/22/898651822.db2.gz LTFDKKSCXSQLMF-MRXNPFEDSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001481066877 898725671 /nfs/dbraw/zinc/72/56/71/898725671.db2.gz ICVJNEHXIBEGLX-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001267604056 898781467 /nfs/dbraw/zinc/78/14/67/898781467.db2.gz JMEHMHMMEFCHLJ-UHFFFAOYSA-N 2 0 281.444 1.683 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267639087 899122849 /nfs/dbraw/zinc/12/28/49/899122849.db2.gz XYUBWWHUVMYGFX-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267730530 899426406 /nfs/dbraw/zinc/42/64/06/899426406.db2.gz YOJBPYMCOPKADA-GDBMZVCRSA-N 2 0 291.439 1.130 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001267735647 899442632 /nfs/dbraw/zinc/44/26/32/899442632.db2.gz ZDFSMOIQSVCKTI-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C[C@H](C)n2ccnc2)C1 ZINC001267790141 899732261 /nfs/dbraw/zinc/73/22/61/899732261.db2.gz KWPXUYXPRNTULP-LSDHHAIUSA-N 2 0 290.411 1.943 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001567692505 1168920571 /nfs/dbraw/zinc/92/05/71/1168920571.db2.gz BYCSPMWYXGDZSG-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001267957488 900069427 /nfs/dbraw/zinc/06/94/27/900069427.db2.gz BJBPWYDYWDQLAG-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001481318368 900374278 /nfs/dbraw/zinc/37/42/78/900374278.db2.gz WMQBHCVRPCEDNF-UHFFFAOYSA-N 2 0 253.390 1.096 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001481340049 900453984 /nfs/dbraw/zinc/45/39/84/900453984.db2.gz OFVCQBBXBVIZDB-UKRRQHHQSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001342739317 901177356 /nfs/dbraw/zinc/17/73/56/901177356.db2.gz UCJYPZFQLCURSA-HIFRSBDPSA-N 2 0 265.401 1.415 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567737273 1168941084 /nfs/dbraw/zinc/94/10/84/1168941084.db2.gz XKLODYGAJHAEOW-OAHLLOKOSA-N 2 0 291.439 1.132 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567742108 1168945561 /nfs/dbraw/zinc/94/55/61/1168945561.db2.gz LBTQQQOQAKFCDE-CVEARBPZSA-N 2 0 291.439 1.132 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268248361 901665282 /nfs/dbraw/zinc/66/52/82/901665282.db2.gz ADPGSGGIVPXTOJ-CQSZACIVSA-N 2 0 269.433 1.539 10 30 CDEERP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001268266664 901702162 /nfs/dbraw/zinc/70/21/62/901702162.db2.gz DOYXSRBLWVOYLR-JKSUJKDBSA-N 2 0 291.439 1.273 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)CCc2cncn2C)C1 ZINC001481695722 901821435 /nfs/dbraw/zinc/82/14/35/901821435.db2.gz UFIHXSUDCUBGTH-ZDUSSCGKSA-N 2 0 276.384 1.119 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001268500583 902409343 /nfs/dbraw/zinc/40/93/43/902409343.db2.gz XJZWKLTUSZPKEH-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268522646 902502155 /nfs/dbraw/zinc/50/21/55/902502155.db2.gz MLANCYPFIPSETG-BEWKBBBFSA-N 2 0 279.428 1.697 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482063232 902580195 /nfs/dbraw/zinc/58/01/95/902580195.db2.gz IOJPZBNJYCUYRZ-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001268731970 903052467 /nfs/dbraw/zinc/05/24/67/903052467.db2.gz DSKDSYHSNHVMGF-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001268900621 903226173 /nfs/dbraw/zinc/22/61/73/903226173.db2.gz LGSANECVDYMKEZ-HOCLYGCPSA-N 2 0 295.471 1.975 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001269071065 903398349 /nfs/dbraw/zinc/39/83/49/903398349.db2.gz BCNXYDNBACKADU-YUELXQCFSA-N 2 0 279.428 1.387 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CCCC1 ZINC001270403818 904607801 /nfs/dbraw/zinc/60/78/01/904607801.db2.gz MVVXVHBJTCTLIO-OAHLLOKOSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001270649699 904880790 /nfs/dbraw/zinc/88/07/90/904880790.db2.gz PNXASUPGXHTWML-GOEBONIOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001271892429 906942225 /nfs/dbraw/zinc/94/22/25/906942225.db2.gz KAMNSANYLQGOOD-CQSZACIVSA-N 2 0 267.417 1.245 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001483050438 909046067 /nfs/dbraw/zinc/04/60/67/909046067.db2.gz WJCYYAFHRBVQNY-WLMCBFPDSA-N 2 0 291.439 1.394 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483060734 909199819 /nfs/dbraw/zinc/19/98/19/909199819.db2.gz OYLRBRBCZJFPCA-MOEXGYKKSA-N 2 0 297.418 1.647 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001317546161 910399339 /nfs/dbraw/zinc/39/93/39/910399339.db2.gz OFXGVDDVNJPUDZ-GASCZTMLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484056934 915372186 /nfs/dbraw/zinc/37/21/86/915372186.db2.gz DLARGWGJCAPSSY-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001484466050 915793405 /nfs/dbraw/zinc/79/34/05/915793405.db2.gz RRSNLJMXOGKPMU-GJZGRUSLSA-N 2 0 277.412 1.027 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001484647521 915988537 /nfs/dbraw/zinc/98/85/37/915988537.db2.gz LQHJXLGZXNXKHL-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001484978303 916354706 /nfs/dbraw/zinc/35/47/06/916354706.db2.gz JKTSWIJUJKWZPG-UONOGXRCSA-N 2 0 279.428 1.626 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001486122401 920730005 /nfs/dbraw/zinc/73/00/05/920730005.db2.gz QWRCQVRERFCMKS-RYUDHWBXSA-N 2 0 273.808 1.270 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001491244519 936882027 /nfs/dbraw/zinc/88/20/27/936882027.db2.gz NENNWBYECZEQGI-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001568415526 1169279394 /nfs/dbraw/zinc/27/93/94/1169279394.db2.gz XZMHTMPBNBRQKG-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC)[NH+](C)C ZINC001489053511 926790934 /nfs/dbraw/zinc/79/09/34/926790934.db2.gz RYPFGZOIELYDAR-PMPSAXMXSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001489239483 926850763 /nfs/dbraw/zinc/85/07/63/926850763.db2.gz FAZPNPDFQNPSPR-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)CC[N@@H+](C)CC)C(C)C ZINC001568466915 1169302580 /nfs/dbraw/zinc/30/25/80/1169302580.db2.gz JJLNGGNJWDKFQY-CQSZACIVSA-N 2 0 267.417 1.082 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001568536782 1169354487 /nfs/dbraw/zinc/35/44/87/1169354487.db2.gz MFMRVLQVUBFTPJ-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001275790910 932038635 /nfs/dbraw/zinc/03/86/35/932038635.db2.gz IHRPPWIPLCKWRH-JKSUJKDBSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001276552427 940278889 /nfs/dbraw/zinc/27/88/89/940278889.db2.gz ICOWWTJOFRCASX-UONOGXRCSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001276718498 940862841 /nfs/dbraw/zinc/86/28/41/940862841.db2.gz UMNDZFCQNRDXAR-LVQVYYBASA-N 2 0 293.455 1.587 10 30 CDEERP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001276841074 941636541 /nfs/dbraw/zinc/63/65/41/941636541.db2.gz URSQYMKHZULILF-JYJNAYRXSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001276922913 941700703 /nfs/dbraw/zinc/70/07/03/941700703.db2.gz DLPVYVLTWXGAIA-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CN1CC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001276923489 941701107 /nfs/dbraw/zinc/70/11/07/941701107.db2.gz JEKUYBXTDMAKSO-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001279577568 942395020 /nfs/dbraw/zinc/39/50/20/942395020.db2.gz TYMATQVNAFBWJP-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001279577571 942395506 /nfs/dbraw/zinc/39/55/06/942395506.db2.gz TYMATQVNAFBWJP-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]CC=C)CC1 ZINC001277362429 942428954 /nfs/dbraw/zinc/42/89/54/942428954.db2.gz HDBQSPVUVUEPEK-OAHLLOKOSA-N 2 0 291.439 1.392 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001280458053 942446027 /nfs/dbraw/zinc/44/60/27/942446027.db2.gz MEWPHCAJWQKEFG-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001281956483 942636826 /nfs/dbraw/zinc/63/68/26/942636826.db2.gz FFWNXWIMNBHKSN-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001281991201 942641326 /nfs/dbraw/zinc/64/13/26/942641326.db2.gz SOEXMGQXZMGENJ-RUXDESIVSA-N 2 0 265.401 1.141 10 30 CDEERP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001282399080 942707404 /nfs/dbraw/zinc/70/74/04/942707404.db2.gz QSPIDCYMGGMAHC-HOCLYGCPSA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001283173727 942844447 /nfs/dbraw/zinc/84/44/47/942844447.db2.gz NHOVAGPOZNKDTN-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001283238034 942864000 /nfs/dbraw/zinc/86/40/00/942864000.db2.gz GBIWERWWANCGST-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001284096021 943076377 /nfs/dbraw/zinc/07/63/77/943076377.db2.gz KUGZAOPZDCTPSD-SOUVJXGZSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001284243187 943128593 /nfs/dbraw/zinc/12/85/93/943128593.db2.gz GZRWASJJVQHTCW-CABCVRRESA-N 2 0 279.428 1.533 10 30 CDEERP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001263820928 943988418 /nfs/dbraw/zinc/98/84/18/943988418.db2.gz JSUJZWSONRDSMI-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001277915164 944003171 /nfs/dbraw/zinc/00/31/71/944003171.db2.gz WIHPOWSCGLDWSL-RDBSUJKOSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001265786438 944508311 /nfs/dbraw/zinc/50/83/11/944508311.db2.gz NIJFVSWMGQQBRM-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001265822982 944526390 /nfs/dbraw/zinc/52/63/90/944526390.db2.gz BNMZDDSMARVGIA-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001266008474 944625022 /nfs/dbraw/zinc/62/50/22/944625022.db2.gz FCWATSVHDVAYQL-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001266120122 944693293 /nfs/dbraw/zinc/69/32/93/944693293.db2.gz UEMMPUCQTNSMDH-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001262557122 946705480 /nfs/dbraw/zinc/70/54/80/946705480.db2.gz OWZXTMUNSHUFMP-AWEZNQCLSA-N 2 0 295.427 1.041 10 30 CDEERP C=CCC[N@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001479777945 971413303 /nfs/dbraw/zinc/41/33/03/971413303.db2.gz HSXGONWCXWOVLP-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C#CCC[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001278437264 948031610 /nfs/dbraw/zinc/03/16/10/948031610.db2.gz BJIYVHONTCASJA-MRXNPFEDSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001479913368 971485626 /nfs/dbraw/zinc/48/56/26/971485626.db2.gz YUOMIDKISHBVIH-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001569022692 1169600434 /nfs/dbraw/zinc/60/04/34/1169600434.db2.gz VBJJXOSBLPRBQY-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001278521360 949704619 /nfs/dbraw/zinc/70/46/19/949704619.db2.gz NGRBBOKVAASGQZ-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001480324074 971672563 /nfs/dbraw/zinc/67/25/63/971672563.db2.gz FGAYYJSINLULBY-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)Cn1ccnc1C ZINC001493059179 971934302 /nfs/dbraw/zinc/93/43/02/971934302.db2.gz YBSQKWYNBYAVKA-UHFFFAOYSA-N 2 0 278.400 1.596 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001326420129 954372720 /nfs/dbraw/zinc/37/27/20/954372720.db2.gz YZUYNUNRQKVDGL-HOTGVXAUSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001326433162 954380573 /nfs/dbraw/zinc/38/05/73/954380573.db2.gz WDXBOAPMJFUPOZ-OAHLLOKOSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001316661024 954925551 /nfs/dbraw/zinc/92/55/51/954925551.db2.gz YXPVOZYFEXICQH-MJBXVCDLSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001491834227 955458921 /nfs/dbraw/zinc/45/89/21/955458921.db2.gz CGFFVBBAZVUWPH-CQSZACIVSA-N 2 0 281.444 1.588 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491886822 955493842 /nfs/dbraw/zinc/49/38/42/955493842.db2.gz QFQKJMKMSZTKRP-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317293862 956033130 /nfs/dbraw/zinc/03/31/30/956033130.db2.gz IVQMJUMMFFMNRB-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001317304998 956045535 /nfs/dbraw/zinc/04/55/35/956045535.db2.gz WJNGXWZVDBTRFF-KKUMJFAQSA-N 2 0 279.428 1.483 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001316874736 957085403 /nfs/dbraw/zinc/08/54/03/957085403.db2.gz CNRGKEDMRSNOLO-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CC(=C)C)CC1 ZINC001331642877 957181844 /nfs/dbraw/zinc/18/18/44/957181844.db2.gz DGLWFMQIUOVVFE-OAHLLOKOSA-N 2 0 291.439 1.344 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001317031230 957215723 /nfs/dbraw/zinc/21/57/23/957215723.db2.gz SPBLIWPJWBLGHS-CQSZACIVSA-N 2 0 277.412 1.143 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317066945 957241029 /nfs/dbraw/zinc/24/10/29/957241029.db2.gz KEIJALBTZFCPKB-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317153400 957309122 /nfs/dbraw/zinc/30/91/22/957309122.db2.gz QKEWGEHOUYJXEY-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317158588 957311695 /nfs/dbraw/zinc/31/16/95/957311695.db2.gz UUJWLSGOOXETQI-HUUCEWRRSA-N 2 0 279.428 1.034 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001317204731 957339972 /nfs/dbraw/zinc/33/99/72/957339972.db2.gz CYRGYQYCKIKBBR-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317312729 957417477 /nfs/dbraw/zinc/41/74/77/957417477.db2.gz LBLUUCGUCBJGKZ-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317381190 957443129 /nfs/dbraw/zinc/44/31/29/957443129.db2.gz LLSFCQWPBXOQCH-HNNXBMFYSA-N 2 0 291.439 1.581 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)Cc1cncn1C)c1ccccc1 ZINC001317727439 957648896 /nfs/dbraw/zinc/64/88/96/957648896.db2.gz RRBIZLOMUMDXRY-INIZCTEOSA-N 2 0 296.374 1.043 10 30 CDEERP C=CC[N@@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317807696 957671423 /nfs/dbraw/zinc/67/14/23/957671423.db2.gz AYICXSVPWUUWMW-AWEZNQCLSA-N 2 0 277.412 1.096 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001318275884 958011303 /nfs/dbraw/zinc/01/13/03/958011303.db2.gz FKZNEYKLPLRRAP-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001319186752 958418643 /nfs/dbraw/zinc/41/86/43/958418643.db2.gz XXXVUZMOTQLEAK-CQSZACIVSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CC(C)C)CC1 ZINC001319285779 958475136 /nfs/dbraw/zinc/47/51/36/958475136.db2.gz QTUGTLAEGSRULL-OAHLLOKOSA-N 2 0 293.455 1.330 10 30 CDEERP CC#CC[NH+]1CCC(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001495527949 972530997 /nfs/dbraw/zinc/53/09/97/972530997.db2.gz ZOWCDQOVCVIXAN-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001324080480 961153149 /nfs/dbraw/zinc/15/31/49/961153149.db2.gz IZWHUVOUTHCPCK-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)CCCC[NH2+]C)CC1 ZINC001340220966 962823275 /nfs/dbraw/zinc/82/32/75/962823275.db2.gz YSHNBNBMMJBWOO-UHFFFAOYSA-N 2 0 253.390 1.143 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH2+]C ZINC001342059893 963623044 /nfs/dbraw/zinc/62/30/44/963623044.db2.gz HZPJSTCOYLKVSR-HNNXBMFYSA-N 2 0 275.396 1.706 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001441371296 964480730 /nfs/dbraw/zinc/48/07/30/964480730.db2.gz QSUWTDOLTTXUAR-HAQNSBGRSA-N 2 0 273.808 1.175 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)CCc1ncc[nH]1 ZINC001467727315 970093640 /nfs/dbraw/zinc/09/36/40/970093640.db2.gz DOXAKEOJDBNVMW-UHFFFAOYSA-N 2 0 264.373 1.309 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001496054462 972776148 /nfs/dbraw/zinc/77/61/48/972776148.db2.gz GYTZMXLCHHHGIN-CABCVRRESA-N 2 0 279.428 1.319 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001497595440 973426064 /nfs/dbraw/zinc/42/60/64/973426064.db2.gz DPXXYIZOUQQUIP-SQRWCISFSA-N 2 0 291.439 1.841 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001497615425 973436469 /nfs/dbraw/zinc/43/64/69/973436469.db2.gz MLRUEBMQXRLXOP-UZYOAWRESA-N 2 0 265.401 1.309 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001497654673 973450171 /nfs/dbraw/zinc/45/01/71/973450171.db2.gz LCMPYZRLQZGFSO-IHVVCDCBSA-N 2 0 285.819 1.485 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001501147431 974542104 /nfs/dbraw/zinc/54/21/04/974542104.db2.gz XYBWIFQXPDXGND-KGLIPLIRSA-N 2 0 267.417 1.198 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC1 ZINC001501997895 974672357 /nfs/dbraw/zinc/67/23/57/974672357.db2.gz ZHGPYBXZCSQKOS-CQSZACIVSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001502780976 974783694 /nfs/dbraw/zinc/78/36/94/974783694.db2.gz NRNUAGOHUAZGJL-AWEZNQCLSA-N 2 0 297.418 1.270 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502968108 974805020 /nfs/dbraw/zinc/80/50/20/974805020.db2.gz KXOBEIGRPNUEPJ-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001506885918 975246416 /nfs/dbraw/zinc/24/64/16/975246416.db2.gz WNZDNMWGYXSRLT-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001508156727 975624226 /nfs/dbraw/zinc/62/42/26/975624226.db2.gz ZLKAOGYZVJXOBG-UYSNPLJNSA-N 2 0 293.455 1.872 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001397721583 975687807 /nfs/dbraw/zinc/68/78/07/975687807.db2.gz ZIVIOGWTFNECFF-QWHCGFSZSA-N 2 0 287.835 1.565 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2nccn2C1 ZINC001406375154 976157122 /nfs/dbraw/zinc/15/71/22/976157122.db2.gz ARRPHTRURIXBOT-NEPJUHHUSA-N 2 0 296.802 1.292 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001381329365 976761758 /nfs/dbraw/zinc/76/17/58/976761758.db2.gz WZGVXXMWDBKARR-UHFFFAOYSA-N 2 0 299.846 1.565 10 30 CDEERP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001675258262 1174090953 /nfs/dbraw/zinc/09/09/53/1174090953.db2.gz RJQYMYYKDUKNKK-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001676369986 1174215669 /nfs/dbraw/zinc/21/56/69/1174215669.db2.gz YZNQVPPJDMJXMB-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001570201279 1170111627 /nfs/dbraw/zinc/11/16/27/1170111627.db2.gz WSXUNGWCQJWTPL-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001570217878 1170113495 /nfs/dbraw/zinc/11/34/95/1170113495.db2.gz DDZNMQWWZRHYHB-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001571646315 1170507220 /nfs/dbraw/zinc/50/72/20/1170507220.db2.gz QDHVTDQNUHKWDQ-CQSZACIVSA-N 2 0 279.428 1.177 10 30 CDEERP [NH2+]=C(NCC1(C[NH+]2CCOCC2)CCCCC1)NC1CC1 ZINC000081525629 539039622 /nfs/dbraw/zinc/03/96/22/539039622.db2.gz RXKNVMNYJHAMBW-UHFFFAOYSA-N 2 0 294.443 1.336 10 30 CDEERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436680 342899481 /nfs/dbraw/zinc/89/94/81/342899481.db2.gz FJOXARVOSSRABU-ZNMIVQPWSA-N 2 0 294.443 1.777 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000594437454 342905861 /nfs/dbraw/zinc/90/58/61/342905861.db2.gz CFVZPSDQWWQBES-AWEZNQCLSA-N 2 0 290.367 1.374 10 30 CDEERP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000594440625 342907024 /nfs/dbraw/zinc/90/70/24/342907024.db2.gz HDCDBZRBCAREJJ-KFWWJZLASA-N 2 0 294.443 1.634 10 30 CDEERP CCCC[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600723020 342244854 /nfs/dbraw/zinc/24/48/54/342244854.db2.gz UEEOIVGBAAWCFG-HNNXBMFYSA-N 2 0 279.428 1.895 10 30 CDEERP C=CCCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000091593939 342405896 /nfs/dbraw/zinc/40/58/96/342405896.db2.gz MSJWHFHHKBUZPZ-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001660476874 1172219443 /nfs/dbraw/zinc/21/94/43/1172219443.db2.gz ZOVBFXLSPAEQOW-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)[C@H](CO)[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000678049681 538886015 /nfs/dbraw/zinc/88/60/15/538886015.db2.gz ORRKTMBHLAPRQZ-KRWDZBQOSA-N 2 0 298.471 1.994 10 30 CDEERP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1C#N ZINC000414945244 374222464 /nfs/dbraw/zinc/22/24/64/374222464.db2.gz RIANNNJXCMDOBT-BXUZGUMPSA-N 2 0 259.353 1.654 10 30 CDEERP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001662872742 1172605605 /nfs/dbraw/zinc/60/56/05/1172605605.db2.gz RXPJYBHVMUOREP-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001664394779 1172849825 /nfs/dbraw/zinc/84/98/25/1172849825.db2.gz HLKMJSGUSHGKBL-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001664667546 1172883318 /nfs/dbraw/zinc/88/33/18/1172883318.db2.gz MNZIRFHWHWFPCL-MRXNPFEDSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001665088458 1172937132 /nfs/dbraw/zinc/93/71/32/1172937132.db2.gz AESJJDJQBZVZIJ-ZDUSSCGKSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001665687081 1173040173 /nfs/dbraw/zinc/04/01/73/1173040173.db2.gz WOIXIMIPBWVKSV-HNNXBMFYSA-N 2 0 277.412 1.028 10 30 CDEERP C=CC[C@]1(C(=O)N(CCC)CC[NH+](C)C)CCC[NH2+]1 ZINC000662823647 413550583 /nfs/dbraw/zinc/55/05/83/413550583.db2.gz RWYSJUHDJFVJAA-OAHLLOKOSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662299615 414625162 /nfs/dbraw/zinc/62/51/62/414625162.db2.gz SHZAKRCOTBITGH-UONOGXRCSA-N 2 0 250.386 1.796 10 30 CDEERP COCC[N@H+](Cc1sccc1C#CC[NH3+])[C@@H](C)COC ZINC000043684203 175092727 /nfs/dbraw/zinc/09/27/27/175092727.db2.gz BOSNXTDTJWOPGV-ZDUSSCGKSA-N 2 0 296.436 1.542 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001666173088 1173116492 /nfs/dbraw/zinc/11/64/92/1173116492.db2.gz QMRAWOPWCCACMN-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH+]1CCC(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001666390214 1173131157 /nfs/dbraw/zinc/13/11/57/1173131157.db2.gz ZRHMNYNRNQSBIZ-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCSCC#N)CC1 ZINC000173885574 261172514 /nfs/dbraw/zinc/17/25/14/261172514.db2.gz DUAJSKJCFZYOBB-AWEZNQCLSA-N 2 0 299.484 1.658 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001666991256 1173218007 /nfs/dbraw/zinc/21/80/07/1173218007.db2.gz AKTOWSDCSKZCEH-AWEZNQCLSA-N 2 0 281.444 1.424 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001667198275 1173244956 /nfs/dbraw/zinc/24/49/56/1173244956.db2.gz OSGFNOWLXJPJJJ-HUUCEWRRSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001669572253 1173571689 /nfs/dbraw/zinc/57/16/89/1173571689.db2.gz SWAIZMIBIICTLP-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001669622867 1173576563 /nfs/dbraw/zinc/57/65/63/1173576563.db2.gz ZIPIIESUCBMQDD-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001672328435 1173766509 /nfs/dbraw/zinc/76/65/09/1173766509.db2.gz NZJDSQYXYOFITQ-LSDHHAIUSA-N 2 0 279.428 1.036 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001672911721 1173809118 /nfs/dbraw/zinc/80/91/18/1173809118.db2.gz YXCMTDCSTVGYBO-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001673449576 1173858016 /nfs/dbraw/zinc/85/80/16/1173858016.db2.gz GVZXOLANZXRJCY-MRXNPFEDSA-N 2 0 293.455 1.520 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001673877165 1173891713 /nfs/dbraw/zinc/89/17/13/1173891713.db2.gz DQMAGZAVXHMISB-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1CC)N[C@H]1CC1(C)C ZINC000262512767 330019097 /nfs/dbraw/zinc/01/90/97/330019097.db2.gz BUMCILYLXGOOKY-STQMWFEESA-N 2 0 266.433 1.824 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCCC[N@@H+]1CC)N[C@@H]1C[C@H]1C ZINC000262776470 330030858 /nfs/dbraw/zinc/03/08/58/330030858.db2.gz KBKRREGYTRHDRD-HZSPNIEDSA-N 2 0 266.433 1.824 10 30 CDEERP C=CC[C@H](CO)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423030642 330166162 /nfs/dbraw/zinc/16/61/62/330166162.db2.gz CBRVLOQOEATTMO-UNEWFSDZSA-N 2 0 288.391 1.769 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482337224 1160158006 /nfs/dbraw/zinc/15/80/06/1160158006.db2.gz OLWPGUYORJTCEA-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001505456531 1160374644 /nfs/dbraw/zinc/37/46/44/1160374644.db2.gz XDCJJNAHPWSQAX-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001732369418 1160521075 /nfs/dbraw/zinc/52/10/75/1160521075.db2.gz GBVWKEGZVRIRIU-KBPBESRZSA-N 2 0 267.417 1.246 10 30 CDEERP CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C#CC[NH3+])C1 ZINC000049232053 521624011 /nfs/dbraw/zinc/62/40/11/521624011.db2.gz AKUPBPYOBBHOIB-OAHLLOKOSA-N 2 0 285.391 1.211 10 30 CDEERP C[N@@H+](Cc1ccccc1C#CC[NH3+])C[C@@H]1CCCO1 ZINC000049609673 523360011 /nfs/dbraw/zinc/36/00/11/523360011.db2.gz VQARENQAIGPMRZ-INIZCTEOSA-N 2 0 258.365 1.608 10 30 CDEERP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001689059464 1175090871 /nfs/dbraw/zinc/09/08/71/1175090871.db2.gz ZUZKZXYNAFYNIS-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001689318973 1175144155 /nfs/dbraw/zinc/14/41/55/1175144155.db2.gz XFYPZQGJKGTCPP-OAGGEKHMSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH+]1CCC(Nc2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000895811468 619856641 /nfs/dbraw/zinc/85/66/41/619856641.db2.gz HSRNSQYJIXVFSF-UHFFFAOYSA-N 2 0 285.395 1.447 10 30 CDEERP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(C#N)ccn1 ZINC000903042954 625792319 /nfs/dbraw/zinc/79/23/19/625792319.db2.gz MBBAUQAZZSAMOM-FPMFFAJLSA-N 2 0 258.369 1.944 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000909207259 628568438 /nfs/dbraw/zinc/56/84/38/628568438.db2.gz VDVWSHIVBPWFDD-AGUYFDCRSA-N 2 0 265.401 1.236 10 30 CDEERP C=CCCC[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001691026103 1158599966 /nfs/dbraw/zinc/59/99/66/1158599966.db2.gz RLDKMEXIUTXNQJ-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001691097605 1158908123 /nfs/dbraw/zinc/90/81/23/1158908123.db2.gz ORLKNDGTAFMFAS-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001266896208 1158967284 /nfs/dbraw/zinc/96/72/84/1158967284.db2.gz XWIQMFRULMCZGB-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001690352040 1175445905 /nfs/dbraw/zinc/44/59/05/1175445905.db2.gz NWAVWOCOYAVYFH-OKILXGFUSA-N 2 0 277.412 1.121 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001268717247 1160008238 /nfs/dbraw/zinc/00/82/38/1160008238.db2.gz UUOJFBZVHIYXRY-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001482555863 1160390553 /nfs/dbraw/zinc/39/05/53/1160390553.db2.gz CXOAMKOULXLXLN-HOTGVXAUSA-N 2 0 293.455 1.613 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000876750683 1165902022 /nfs/dbraw/zinc/90/20/22/1165902022.db2.gz XXZSKSDWZLDBQW-QWRGUYRKSA-N 2 0 261.797 1.303 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001646116454 1167652728 /nfs/dbraw/zinc/65/27/28/1167652728.db2.gz FXQCDGSBJAUOCJ-NSHDSACASA-N 2 0 273.808 1.399 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001566723135 1168400542 /nfs/dbraw/zinc/40/05/42/1168400542.db2.gz WUMOCXUVHOQVIB-MRXNPFEDSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001566878380 1168453000 /nfs/dbraw/zinc/45/30/00/1168453000.db2.gz ARGXTCBJGDZQQM-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001567175222 1168605905 /nfs/dbraw/zinc/60/59/05/1168605905.db2.gz WUKURFGAQCNDHM-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001649464306 1169264721 /nfs/dbraw/zinc/26/47/21/1169264721.db2.gz QELBUSAMAPPERT-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001569691448 1169968464 /nfs/dbraw/zinc/96/84/64/1169968464.db2.gz ZROCNPWKSYFXBB-OAHLLOKOSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001570045005 1170063217 /nfs/dbraw/zinc/06/32/17/1170063217.db2.gz VZEBAAYKFUMQBG-KOMQPUFPSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001570689250 1170231560 /nfs/dbraw/zinc/23/15/60/1170231560.db2.gz RRCYKUIWVOQEFB-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001570860492 1170304698 /nfs/dbraw/zinc/30/46/98/1170304698.db2.gz UXTDCQFIBWNNND-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001657101908 1171930645 /nfs/dbraw/zinc/93/06/45/1171930645.db2.gz KJFWHRPOFOEHSY-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001661028458 1172323602 /nfs/dbraw/zinc/32/36/02/1172323602.db2.gz UJGAWVZCPNFEOV-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001662646242 1172575100 /nfs/dbraw/zinc/57/51/00/1172575100.db2.gz PFQKAQMAALVGFE-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001663587555 1172729634 /nfs/dbraw/zinc/72/96/34/1172729634.db2.gz MYFMQHKUPDSEBO-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001663683909 1172745572 /nfs/dbraw/zinc/74/55/72/1172745572.db2.gz KPDJTSNBUGDLHE-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001666914534 1173207289 /nfs/dbraw/zinc/20/72/89/1173207289.db2.gz VKXBKEZMGXSPOV-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001667211152 1173246668 /nfs/dbraw/zinc/24/66/68/1173246668.db2.gz RDFXNJKFWJDISV-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001676966552 1174302731 /nfs/dbraw/zinc/30/27/31/1174302731.db2.gz ZNMIUDANGDJFGY-CVEARBPZSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001690111249 1175380452 /nfs/dbraw/zinc/38/04/52/1175380452.db2.gz VILKOVABKLNRQJ-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001690405381 1175464019 /nfs/dbraw/zinc/46/40/19/1175464019.db2.gz JAPMXTYGUSOJQK-BZUAXINKSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)Cc1[nH]cnc1C)c1ccccc1 ZINC001691799363 1175629161 /nfs/dbraw/zinc/62/91/61/1175629161.db2.gz ADEIXJANVPYKNO-MRXNPFEDSA-N 2 0 298.390 1.894 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001698935095 1175988334 /nfs/dbraw/zinc/98/83/34/1175988334.db2.gz MTFLZJLDTAGGMS-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001699641894 1176540745 /nfs/dbraw/zinc/54/07/45/1176540745.db2.gz JGDIXZDMJBIHJX-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001700135635 1176765093 /nfs/dbraw/zinc/76/50/93/1176765093.db2.gz FMDSGELSDXRWFA-UHFFFAOYSA-N 2 0 253.390 1.143 10 30 CDEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001700448384 1176934097 /nfs/dbraw/zinc/93/40/97/1176934097.db2.gz KBHNIYSWGFZUGY-AWEZNQCLSA-N 2 0 281.444 1.588 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001700751636 1177113624 /nfs/dbraw/zinc/11/36/24/1177113624.db2.gz JXAGBISMFFZQOB-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+](C)CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001707422059 1178035173 /nfs/dbraw/zinc/03/51/73/1178035173.db2.gz JJEIRDOBUFMXER-OKILXGFUSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001713060851 1178339082 /nfs/dbraw/zinc/33/90/82/1178339082.db2.gz IDLVQBZVJZXOFL-KBPBESRZSA-N 2 0 285.407 1.433 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713208105 1178432232 /nfs/dbraw/zinc/43/22/32/1178432232.db2.gz BCFNIZSQRDVXQB-OWCLPIDISA-N 2 0 291.439 1.367 10 30 CDEERP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001713252920 1178454784 /nfs/dbraw/zinc/45/47/84/1178454784.db2.gz JFPXSRNYPZAROZ-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001713279752 1178463749 /nfs/dbraw/zinc/46/37/49/1178463749.db2.gz TYYQPFYELKPQJG-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713379953 1178528870 /nfs/dbraw/zinc/52/88/70/1178528870.db2.gz YBWWQLZDAHHJLU-HUUCEWRRSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@H](C)CC)CC1 ZINC001713667102 1178703249 /nfs/dbraw/zinc/70/32/49/1178703249.db2.gz PNZBKIAJYIYFDK-OAHLLOKOSA-N 2 0 293.455 1.426 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713755382 1178739715 /nfs/dbraw/zinc/73/97/15/1178739715.db2.gz BTXKUAPRTPAAFD-HNNXBMFYSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001714047591 1178946434 /nfs/dbraw/zinc/94/64/34/1178946434.db2.gz CKNNYUXHJBFKEF-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001714053282 1178948624 /nfs/dbraw/zinc/94/86/24/1178948624.db2.gz JLKPYARLVSNHCM-OAHLLOKOSA-N 2 0 277.412 1.028 10 30 CDEERP C#CC[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001714174475 1179002398 /nfs/dbraw/zinc/00/23/98/1179002398.db2.gz YMRXLHVQLBOJHN-QGZVFWFLSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714239885 1179040728 /nfs/dbraw/zinc/04/07/28/1179040728.db2.gz XQPKTCOQTWFUJC-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001714306308 1179077503 /nfs/dbraw/zinc/07/75/03/1179077503.db2.gz VHRMBIPSCYTLJV-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001714367462 1179107525 /nfs/dbraw/zinc/10/75/25/1179107525.db2.gz OQTPMYKNKAAJBY-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001714674527 1179316770 /nfs/dbraw/zinc/31/67/70/1179316770.db2.gz CZWNDXUOUSNZBY-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001715101398 1179550864 /nfs/dbraw/zinc/55/08/64/1179550864.db2.gz WMCFYHUBLACYOR-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001715101399 1179551310 /nfs/dbraw/zinc/55/13/10/1179551310.db2.gz WMCFYHUBLACYOR-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001715180951 1179571319 /nfs/dbraw/zinc/57/13/19/1179571319.db2.gz BBPULOYYONYNEX-JYJNAYRXSA-N 2 0 293.455 1.613 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001715337394 1179631879 /nfs/dbraw/zinc/63/18/79/1179631879.db2.gz IAPQABNDMVRYPK-ZIAGYGMSSA-N 2 0 285.407 1.126 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001715493109 1179681456 /nfs/dbraw/zinc/68/14/56/1179681456.db2.gz JATORFQZWRXMOC-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001716067083 1180028469 /nfs/dbraw/zinc/02/84/69/1180028469.db2.gz KZSUMXJBPSXTFW-HZPDHXFCSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001716297127 1180147328 /nfs/dbraw/zinc/14/73/28/1180147328.db2.gz XCNWWQHBZCLHHC-PRQMKSPXSA-N 2 0 277.412 1.002 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001716311069 1180151288 /nfs/dbraw/zinc/15/12/88/1180151288.db2.gz LCMPYZRLQZGFSO-MUBLQREKSA-N 2 0 285.819 1.485 10 30 CDEERP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001716765929 1180406173 /nfs/dbraw/zinc/40/61/73/1180406173.db2.gz ZOEJZAHABVDUHN-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001716795478 1180418130 /nfs/dbraw/zinc/41/81/30/1180418130.db2.gz SOTWQRUKVSPVEC-AWEZNQCLSA-N 2 0 297.418 1.270 10 30 CDEERP C=CCC[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001716850181 1180438770 /nfs/dbraw/zinc/43/87/70/1180438770.db2.gz BQAGKIYBLUZRHD-HNNXBMFYSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001716902667 1180458242 /nfs/dbraw/zinc/45/82/42/1180458242.db2.gz LIRPDQGFSVFRRX-MRXNPFEDSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001716975445 1180488239 /nfs/dbraw/zinc/48/82/39/1180488239.db2.gz NHIKSSPOAADQDC-ZIAGYGMSSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001717454310 1180678906 /nfs/dbraw/zinc/67/89/06/1180678906.db2.gz WJYQFJOCOHDVJJ-CQSZACIVSA-N 2 0 281.444 1.424 10 30 CDEERP C#CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001717585577 1180749934 /nfs/dbraw/zinc/74/99/34/1180749934.db2.gz UBTWBJURTZDTIJ-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001717884081 1180912105 /nfs/dbraw/zinc/91/21/05/1180912105.db2.gz HAFNLUGAWIZPQC-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001717899553 1180919293 /nfs/dbraw/zinc/91/92/93/1180919293.db2.gz QMBCHVSVOGGBHA-ZDUSSCGKSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001723558669 1181587546 /nfs/dbraw/zinc/58/75/46/1181587546.db2.gz ROZBNPDADCQLRI-UHFFFAOYSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001723859464 1181612849 /nfs/dbraw/zinc/61/28/49/1181612849.db2.gz JXPOBLAVRPRJRE-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724543958 1181692240 /nfs/dbraw/zinc/69/22/40/1181692240.db2.gz ILHCOXLNZBZGCO-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH+](C)CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001724861328 1181780702 /nfs/dbraw/zinc/78/07/02/1181780702.db2.gz SPPCIWHYSGEMAP-GASCZTMLSA-N 2 0 281.444 1.826 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001725093336 1181856756 /nfs/dbraw/zinc/85/67/56/1181856756.db2.gz FDIFTIQMGOPHCB-ZIAGYGMSSA-N 2 0 277.412 1.121 10 30 CDEERP C=CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001725284270 1181951002 /nfs/dbraw/zinc/95/10/02/1181951002.db2.gz BMTGUKMXXFEMGH-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001725442131 1182002094 /nfs/dbraw/zinc/00/20/94/1182002094.db2.gz HGKMNDOKBBAXDQ-MRXNPFEDSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[N@H+](CC)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001731316489 1182314888 /nfs/dbraw/zinc/31/48/88/1182314888.db2.gz ASDPFZHPMGBQKR-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001731341718 1182330320 /nfs/dbraw/zinc/33/03/20/1182330320.db2.gz AQMMWYXPDIUHHJ-UHFFFAOYSA-N 2 0 291.439 1.629 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001731454760 1182396854 /nfs/dbraw/zinc/39/68/54/1182396854.db2.gz BGMXUQRXWRJOID-RBSFLKMASA-N 2 0 291.439 1.674 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001731455792 1182397467 /nfs/dbraw/zinc/39/74/67/1182397467.db2.gz LVEGCODSGRHCFS-JOCQHMNTSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)CCC[NH+](C)C)c1ccccc1 ZINC001732021001 1182729080 /nfs/dbraw/zinc/72/90/80/1182729080.db2.gz FBWPYVJRPXVLNX-MRXNPFEDSA-N 2 0 287.407 1.409 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001732247450 1182882371 /nfs/dbraw/zinc/88/23/71/1182882371.db2.gz LCFHTPBWHJBWPF-ZFWWWQNUSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001732349139 1182919636 /nfs/dbraw/zinc/91/96/36/1182919636.db2.gz NYDGAGGVRVENMW-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001732542390 1183000835 /nfs/dbraw/zinc/00/08/35/1183000835.db2.gz YUWKYVGQKLKEFX-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732775428 1183120826 /nfs/dbraw/zinc/12/08/26/1183120826.db2.gz SEZVRFBAKFUYOT-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732849761 1183157985 /nfs/dbraw/zinc/15/79/85/1183157985.db2.gz OQJAKVOEXGLKOB-JBZXTQMFSA-N 2 0 279.428 1.555 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001733131585 1183301895 /nfs/dbraw/zinc/30/18/95/1183301895.db2.gz VRQMEQQKOPHHMH-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001733298267 1183383342 /nfs/dbraw/zinc/38/33/42/1183383342.db2.gz URGAQYWCKGDUKX-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733533317 1183458619 /nfs/dbraw/zinc/45/86/19/1183458619.db2.gz KBQYKUHVHJDQKI-JKSUJKDBSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001733603365 1183477216 /nfs/dbraw/zinc/47/72/16/1183477216.db2.gz NTIWDMRMWPYVKR-HOTGVXAUSA-N 2 0 291.439 1.415 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001733649971 1183489484 /nfs/dbraw/zinc/48/94/84/1183489484.db2.gz VYVKMCBLJVHZMY-HRCADAONSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001733653006 1183489547 /nfs/dbraw/zinc/48/95/47/1183489547.db2.gz SOEUNOQNJHZRSP-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001733778645 1183530266 /nfs/dbraw/zinc/53/02/66/1183530266.db2.gz MCUDJZPXDPKJKH-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001733878336 1183557658 /nfs/dbraw/zinc/55/76/58/1183557658.db2.gz HRIFBAOVFCTEFI-OAHLLOKOSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001733934464 1183574058 /nfs/dbraw/zinc/57/40/58/1183574058.db2.gz YNGJPEVLRPIAPV-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001734003938 1183610829 /nfs/dbraw/zinc/61/08/29/1183610829.db2.gz QDJSBMFPECLVEJ-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001734064691 1183644764 /nfs/dbraw/zinc/64/47/64/1183644764.db2.gz DOTZNAHSRORWBX-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001734130623 1183670242 /nfs/dbraw/zinc/67/02/42/1183670242.db2.gz JLTQWIRAZWCUTN-AWEZNQCLSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001734147151 1183675671 /nfs/dbraw/zinc/67/56/71/1183675671.db2.gz ZOLSOTHAKXGDCI-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)C1 ZINC001734154286 1183676615 /nfs/dbraw/zinc/67/66/15/1183676615.db2.gz LNFDCAPRWFIXIZ-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000876766943 1165911165 /nfs/dbraw/zinc/91/11/65/1165911165.db2.gz WUVPDGRTTKZTEV-NEPJUHHUSA-N 2 0 273.808 1.447 10 30 CDEERP CC1CCN(C(=[NH2+])NCC[N@H+](C)C2CCCC2)CC1 ZINC000304761901 818156197 /nfs/dbraw/zinc/15/61/97/818156197.db2.gz VCFLDQJSWBSALN-UHFFFAOYSA-N 2 0 266.433 1.907 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1OC ZINC000876506070 818527685 /nfs/dbraw/zinc/52/76/85/818527685.db2.gz DITHHEUYOOTJOR-VXGBXAGGSA-N 2 0 297.786 1.281 10 30 CDEERP C#C[C@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000872252232 818700371 /nfs/dbraw/zinc/70/03/71/818700371.db2.gz YQUKIUQDABSDQC-KKUMJFAQSA-N 2 0 250.386 1.225 10 30 CDEERP C=CC[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923386741 818786010 /nfs/dbraw/zinc/78/60/10/818786010.db2.gz RDLWOCOXPABSEJ-ZIAGYGMSSA-N 2 0 250.386 1.653 10 30 CDEERP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925609178 819300630 /nfs/dbraw/zinc/30/06/30/819300630.db2.gz PUIWXYULEWRGLV-LSDHHAIUSA-N 2 0 263.429 1.886 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000876781059 819350164 /nfs/dbraw/zinc/35/01/64/819350164.db2.gz ITDUYFBMHPEBOP-FOGDFJRCSA-N 2 0 271.792 1.198 10 30 CDEERP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])NCC1CCC1 ZINC000261964117 819448044 /nfs/dbraw/zinc/44/80/44/819448044.db2.gz AJEKCNVLZDSBSI-GFCCVEGCSA-N 2 0 252.406 1.565 10 30 CDEERP N#Cc1ccc(NCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)nc1 ZINC000925894071 819750004 /nfs/dbraw/zinc/75/00/04/819750004.db2.gz UCJMDAQFAJJAPA-OLZOCXBDSA-N 2 0 271.368 1.225 10 30 CDEERP C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000923388511 819814481 /nfs/dbraw/zinc/81/44/81/819814481.db2.gz RHRUOVVHMQKLCS-JONQDZQNSA-N 2 0 282.428 1.674 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000876748376 821060489 /nfs/dbraw/zinc/06/04/89/821060489.db2.gz ABHZONNUMDEJNW-RYUDHWBXSA-N 2 0 271.792 1.153 10 30 CDEERP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315437 821892931 /nfs/dbraw/zinc/89/29/31/821892931.db2.gz MHWIDZSIQQFVQY-GDBMZVCRSA-N 2 0 277.412 1.459 10 30 CDEERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=[NH2+])NC2CC2)C1 ZINC000066244608 821934448 /nfs/dbraw/zinc/93/44/48/821934448.db2.gz ZKSACQMQPKSFCX-VXGBXAGGSA-N 2 0 266.433 1.810 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000876723215 822043354 /nfs/dbraw/zinc/04/33/54/822043354.db2.gz PZDWRYWXLQYCGW-PWSUYJOCSA-N 2 0 273.808 1.304 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)CCCC ZINC000876746330 822216729 /nfs/dbraw/zinc/21/67/29/822216729.db2.gz KBBSZNVFFCSGLM-LLVKDONJSA-N 2 0 261.797 1.304 10 30 CDEERP C[NH+](C)C[C@@H]1CN(c2ncccc2C#N)C[C@H]1C[NH+](C)C ZINC000866012814 822644379 /nfs/dbraw/zinc/64/43/79/822644379.db2.gz QYEYKJQREKNHFG-HUUCEWRRSA-N 2 0 287.411 1.129 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001570384837 1167574349 /nfs/dbraw/zinc/57/43/49/1167574349.db2.gz SLYLFNXKAGOVTJ-UHFFFAOYSA-N 2 0 277.412 1.239 10 30 CDEERP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001566124939 1168242188 /nfs/dbraw/zinc/24/21/88/1168242188.db2.gz NJXGMFOTPFPVLU-INIZCTEOSA-N 2 0 293.455 1.663 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001566859084 1168447686 /nfs/dbraw/zinc/44/76/86/1168447686.db2.gz PFRXZCJYIKBYLI-QLFBSQMISA-N 2 0 281.444 1.776 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001567178144 1168606658 /nfs/dbraw/zinc/60/66/58/1168606658.db2.gz ZLOCIWIXQKURDH-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001567246245 1168637683 /nfs/dbraw/zinc/63/76/83/1168637683.db2.gz DNRGJGPMXATWAX-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266546830 895304604 /nfs/dbraw/zinc/30/46/04/895304604.db2.gz XUXWQCBNXIRBSQ-CABCVRRESA-N 2 0 279.428 1.034 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001266880376 896268995 /nfs/dbraw/zinc/26/89/95/896268995.db2.gz KESCYYHMDMZJNV-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267089784 896742285 /nfs/dbraw/zinc/74/22/85/896742285.db2.gz SWQGKVJBQNVABI-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267107827 896813960 /nfs/dbraw/zinc/81/39/60/896813960.db2.gz KABMKNLWCXTFPU-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001267257666 897361680 /nfs/dbraw/zinc/36/16/80/897361680.db2.gz POMPFEPTKMVFJE-MRXNPFEDSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001567574097 1168866892 /nfs/dbraw/zinc/86/68/92/1168866892.db2.gz XGQSOXBZHAZUIH-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCC(C)C)CC1 ZINC001267473463 898093006 /nfs/dbraw/zinc/09/30/06/898093006.db2.gz GRMTXFFCQURALR-UHFFFAOYSA-N 2 0 293.455 1.426 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267568298 898392599 /nfs/dbraw/zinc/39/25/99/898392599.db2.gz IJCOOBCAOILQRI-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267596332 898651592 /nfs/dbraw/zinc/65/15/92/898651592.db2.gz YHYOIBVACMNYNS-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001267969726 900117803 /nfs/dbraw/zinc/11/78/03/900117803.db2.gz KYDMUIYRUBMRDJ-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001481489004 900905809 /nfs/dbraw/zinc/90/58/09/900905809.db2.gz YKRWTRARZVUWAY-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001268176662 901529716 /nfs/dbraw/zinc/52/97/16/901529716.db2.gz DIXHNQYCCRMXPH-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001567752017 1168951839 /nfs/dbraw/zinc/95/18/39/1168951839.db2.gz BBARFFWIRYGVPI-MRXNPFEDSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001481702174 901837207 /nfs/dbraw/zinc/83/72/07/901837207.db2.gz CNQLIBBFBXMFJR-KGLIPLIRSA-N 2 0 285.407 1.433 10 30 CDEERP C=CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268348075 901910458 /nfs/dbraw/zinc/91/04/58/901910458.db2.gz GBDOOICYXDRRFX-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001268377108 901956996 /nfs/dbraw/zinc/95/69/96/901956996.db2.gz GQNWGKIHXLPEBO-CYBMUJFWSA-N 2 0 298.390 1.764 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001482007064 902467252 /nfs/dbraw/zinc/46/72/52/902467252.db2.gz NWPSLVQLJAYZPO-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001482108788 902655113 /nfs/dbraw/zinc/65/51/13/902655113.db2.gz WXQCOFVMUFGSCB-HOCLYGCPSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001493551820 915287270 /nfs/dbraw/zinc/28/72/70/915287270.db2.gz UQLAXAFEHUZDBP-RBSFLKMASA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001268911843 903232257 /nfs/dbraw/zinc/23/22/57/903232257.db2.gz UBAMIUYMXILKPD-MRXNPFEDSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)C[N@@H+](C)CCC)CCCC1 ZINC001269587799 903954054 /nfs/dbraw/zinc/95/40/54/903954054.db2.gz GFWRSPBECORUET-UHFFFAOYSA-N 2 0 281.444 1.923 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001270605253 904784453 /nfs/dbraw/zinc/78/44/53/904784453.db2.gz XOCWKFFVQKPVAX-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482343415 905133147 /nfs/dbraw/zinc/13/31/47/905133147.db2.gz PQQFSDZIDWCKIQ-CQSZACIVSA-N 2 0 287.407 1.432 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001271837827 906881146 /nfs/dbraw/zinc/88/11/46/906881146.db2.gz LWUBQUBDOQFWLZ-RRFJBIMHSA-N 2 0 281.444 1.633 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001483130533 909723345 /nfs/dbraw/zinc/72/33/45/909723345.db2.gz XFQMPDXNAZGJKA-HZSPNIEDSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCOCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483354689 910967668 /nfs/dbraw/zinc/96/76/68/910967668.db2.gz YMJANDULBKFIAI-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001483410748 911082944 /nfs/dbraw/zinc/08/29/44/911082944.db2.gz WMUDOCLLENMTAY-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001484067332 915371979 /nfs/dbraw/zinc/37/19/79/915371979.db2.gz IVWXFTRIMJTOPW-MRXNPFEDSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484346967 915653825 /nfs/dbraw/zinc/65/38/25/915653825.db2.gz LUAOMXVHMRIPLS-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001484747259 916132739 /nfs/dbraw/zinc/13/27/39/916132739.db2.gz OFOMVWKXUTVMSG-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001485168409 916605177 /nfs/dbraw/zinc/60/51/77/916605177.db2.gz JDCMFVWLDWTGCQ-STQMWFEESA-N 2 0 298.390 1.762 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001485299412 916781209 /nfs/dbraw/zinc/78/12/09/916781209.db2.gz JYVOJCFGFTZUAQ-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001486518773 921094014 /nfs/dbraw/zinc/09/40/14/921094014.db2.gz IIHGSCVRDBYFTH-HNNXBMFYSA-N 2 0 279.428 1.651 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001568321248 1169242483 /nfs/dbraw/zinc/24/24/83/1169242483.db2.gz XLTOGMBDNWRINU-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001491361232 936898651 /nfs/dbraw/zinc/89/86/51/936898651.db2.gz OXBQHNWECLVSNA-YMAMQOFZSA-N 2 0 279.428 1.223 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001491538637 936931464 /nfs/dbraw/zinc/93/14/64/936931464.db2.gz MICFINMBZWNGGV-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001488777556 926689778 /nfs/dbraw/zinc/68/97/78/926689778.db2.gz WRHXDCYTKBTFDB-HRCADAONSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001489331623 926873162 /nfs/dbraw/zinc/87/31/62/926873162.db2.gz VVTCCRDQUUYXDU-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC)CCC)CC1 ZINC001490361887 927157933 /nfs/dbraw/zinc/15/79/33/927157933.db2.gz QJHPLQKKBBRBGE-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[NH2+]CC=CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001274126410 931186585 /nfs/dbraw/zinc/18/65/85/931186585.db2.gz ZTFZXMRPGFLINM-ONEGZZNKSA-N 2 0 268.320 1.072 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274888453 931599413 /nfs/dbraw/zinc/59/94/13/931599413.db2.gz NBWZGJMOYDEIHV-KFWWJZLASA-N 2 0 281.444 1.920 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001274887791 931599629 /nfs/dbraw/zinc/59/96/29/931599629.db2.gz AHLGZVSFVOJBLZ-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001275381965 931761487 /nfs/dbraw/zinc/76/14/87/931761487.db2.gz KCKGFNRYHCPKGE-AWEZNQCLSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001121997708 937897796 /nfs/dbraw/zinc/89/77/96/937897796.db2.gz YIZVBNLPGFEBRB-AWEZNQCLSA-N 2 0 285.351 1.889 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001277101683 941955058 /nfs/dbraw/zinc/95/50/58/941955058.db2.gz IWSHUFPQGZLSKC-OAHLLOKOSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001277424079 942537895 /nfs/dbraw/zinc/53/78/95/942537895.db2.gz ZGRBJIUIGRLOFQ-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001281889992 942628280 /nfs/dbraw/zinc/62/82/80/942628280.db2.gz DDJJQYXFEUEBAJ-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001282392090 942704255 /nfs/dbraw/zinc/70/42/55/942704255.db2.gz VAEOQPQOHXTXBB-QLFBSQMISA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)C[N@H+](C)C(C)C)C(C)C ZINC001282573081 942730305 /nfs/dbraw/zinc/73/03/05/942730305.db2.gz CMXKCNMXSZAHES-HNNXBMFYSA-N 2 0 281.444 1.423 10 30 CDEERP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001282888221 942766557 /nfs/dbraw/zinc/76/65/57/942766557.db2.gz IOOBDMIFWOUHBI-PHZGNYQRSA-N 2 0 293.455 1.588 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001284097427 943076341 /nfs/dbraw/zinc/07/63/41/943076341.db2.gz RBPWSOGENXBZLE-ARFHVFGLSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001284321995 943146297 /nfs/dbraw/zinc/14/62/97/943146297.db2.gz FCSKLHSEJLRLAW-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001284322971 943148351 /nfs/dbraw/zinc/14/83/51/943148351.db2.gz KEPMRSLCXXVDLT-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)Cc1c[nH]cn1)C(C)(C)C ZINC001284632072 943229573 /nfs/dbraw/zinc/22/95/73/943229573.db2.gz QVAQCKLRBVCCDM-LBPRGKRZSA-N 2 0 264.373 1.259 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001284921081 943289294 /nfs/dbraw/zinc/28/92/94/943289294.db2.gz QSRSFEFOOHTFNE-HNNXBMFYSA-N 2 0 297.418 1.601 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001264146513 944087828 /nfs/dbraw/zinc/08/78/28/944087828.db2.gz AKCQIWRBFKNCPW-RDBSUJKOSA-N 2 0 267.417 1.338 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001264655853 944158861 /nfs/dbraw/zinc/15/88/61/944158861.db2.gz QONUIKJROACCKH-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001265208026 944275618 /nfs/dbraw/zinc/27/56/18/944275618.db2.gz OSLWUASGRVISGE-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001265225487 944285680 /nfs/dbraw/zinc/28/56/80/944285680.db2.gz YTFLXMRAYRNVFB-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265394653 944373565 /nfs/dbraw/zinc/37/35/65/944373565.db2.gz GDFDHIPLGHZJPF-HNNXBMFYSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001265456331 944394508 /nfs/dbraw/zinc/39/45/08/944394508.db2.gz PFAYMZHZLBMEBQ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001265571254 944432769 /nfs/dbraw/zinc/43/27/69/944432769.db2.gz JGPJYWSXGVGTIL-NMWPEEMBSA-N 2 0 277.412 1.119 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001265786439 944508105 /nfs/dbraw/zinc/50/81/05/944508105.db2.gz NIJFVSWMGQQBRM-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@H](F)CC)CC1 ZINC001265869901 944549638 /nfs/dbraw/zinc/54/96/38/944549638.db2.gz FBCGBAUCADEWTH-UKRRQHHQSA-N 2 0 297.418 1.174 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001265869751 944549988 /nfs/dbraw/zinc/54/99/88/944549988.db2.gz BCGORFSIYQWUIP-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001265978725 944611019 /nfs/dbraw/zinc/61/10/19/944611019.db2.gz WBSXWCZJVDRIJA-GASCZTMLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266020322 944636264 /nfs/dbraw/zinc/63/62/64/944636264.db2.gz GTQNLUGLDPACEE-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001479717623 971379811 /nfs/dbraw/zinc/37/98/11/971379811.db2.gz LANUGQTWFYFQMK-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001479955154 971507319 /nfs/dbraw/zinc/50/73/19/971507319.db2.gz MBFQQXYWTMUIGT-ZDUSSCGKSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001480263753 971651413 /nfs/dbraw/zinc/65/14/13/971651413.db2.gz VUHFKSVMYMTNAQ-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480301503 971663520 /nfs/dbraw/zinc/66/35/20/971663520.db2.gz WREZHBIWHYZRJY-HNNXBMFYSA-N 2 0 291.439 1.487 10 30 CDEERP C#CCC[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001324885794 953623084 /nfs/dbraw/zinc/62/30/84/953623084.db2.gz AJTCWXRNNHXKMN-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001328941790 955568786 /nfs/dbraw/zinc/56/87/86/955568786.db2.gz TXEYPXDXVYKXEW-RUXDESIVSA-N 2 0 267.417 1.387 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001493761354 972111369 /nfs/dbraw/zinc/11/13/69/972111369.db2.gz JAGRLPZXTFISEP-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001492334666 955808263 /nfs/dbraw/zinc/80/82/63/955808263.db2.gz QRVZLWDPJSYWPU-UHFFFAOYSA-N 2 0 285.351 1.115 10 30 CDEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001329327572 955827402 /nfs/dbraw/zinc/82/74/02/955827402.db2.gz AXJAJJQQPYQVSB-UHFFFAOYSA-N 2 0 295.471 1.979 10 30 CDEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001330685696 956565053 /nfs/dbraw/zinc/56/50/53/956565053.db2.gz AFXZJQOJRQXVPL-BZUAXINKSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CC2CC2)CC1 ZINC001317492566 956696395 /nfs/dbraw/zinc/69/63/95/956696395.db2.gz ORMWDIMCCXTYOJ-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001316786326 957019414 /nfs/dbraw/zinc/01/94/14/957019414.db2.gz IQZOZUAFULYCEN-OAGGEKHMSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001331440287 957061825 /nfs/dbraw/zinc/06/18/25/957061825.db2.gz RRWKZHGJMBIPHB-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001331559977 957137038 /nfs/dbraw/zinc/13/70/38/957137038.db2.gz IBMGFYNSMVNPLZ-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317153691 957310033 /nfs/dbraw/zinc/31/00/33/957310033.db2.gz GSYUEGAGKIHHPF-BZUAXINKSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001317214739 957349107 /nfs/dbraw/zinc/34/91/07/957349107.db2.gz GPQLGJMSEQFWJL-YMAMQOFZSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001317264427 957390584 /nfs/dbraw/zinc/39/05/84/957390584.db2.gz KMBODQSUZBWJNV-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317399578 957454740 /nfs/dbraw/zinc/45/47/40/957454740.db2.gz VNMGWXUGPVLSMV-KGLIPLIRSA-N 2 0 267.417 1.080 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001317403882 957455656 /nfs/dbraw/zinc/45/56/56/957455656.db2.gz HKCMQEVWEQBPGG-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCOCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001332197609 957475177 /nfs/dbraw/zinc/47/51/77/957475177.db2.gz DHLUKRFWFDNUNJ-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C#CCC[N@@H+](CCCNC(=O)Cc1c[nH]cn1)C(C)C ZINC001317702160 957642125 /nfs/dbraw/zinc/64/21/25/957642125.db2.gz SQJOWNGLVPKROP-UHFFFAOYSA-N 2 0 276.384 1.192 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001317800079 957668481 /nfs/dbraw/zinc/66/84/81/957668481.db2.gz DYSPLMQEXROOJH-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001494738302 972299179 /nfs/dbraw/zinc/29/91/79/972299179.db2.gz VILKOVABKLNRQJ-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001318169802 957955194 /nfs/dbraw/zinc/95/51/94/957955194.db2.gz UTDKRDOETGGACM-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001318415046 958091939 /nfs/dbraw/zinc/09/19/39/958091939.db2.gz WBCGJWWLYISJAF-HUUCEWRRSA-N 2 0 281.444 1.826 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001494874113 972328115 /nfs/dbraw/zinc/32/81/15/972328115.db2.gz DPMJUMNLUUAGFV-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001318725862 958246186 /nfs/dbraw/zinc/24/61/86/958246186.db2.gz DWJHARCDQOSASA-MRXNPFEDSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001318727790 958246564 /nfs/dbraw/zinc/24/65/64/958246564.db2.gz MZMYIAMLAZCRKM-CJNGLKHVSA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[NH2+]C[C@](C)(NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001318729749 958247699 /nfs/dbraw/zinc/24/76/99/958247699.db2.gz POSNDVJRJBCLEG-YOEHRIQHSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001318830501 958275394 /nfs/dbraw/zinc/27/53/94/958275394.db2.gz GYXHWOMPLGEJAG-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001319102396 958378560 /nfs/dbraw/zinc/37/85/60/958378560.db2.gz WHKNBARWUGXZFN-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)c1sccc1C[NH+](C)C ZINC001320745866 959363769 /nfs/dbraw/zinc/36/37/69/959363769.db2.gz JMZRWKMTHLBFCI-UHFFFAOYSA-N 2 0 293.436 1.495 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001320929185 959464492 /nfs/dbraw/zinc/46/44/92/959464492.db2.gz QTPIJHDBICVDNF-GASCZTMLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001369564935 959763820 /nfs/dbraw/zinc/76/38/20/959763820.db2.gz QZVXHCZVYROUJL-GFCCVEGCSA-N 2 0 289.851 1.811 10 30 CDEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001495404028 972489153 /nfs/dbraw/zinc/48/91/53/972489153.db2.gz SIXNAKNORQAYNC-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001324176270 961218601 /nfs/dbraw/zinc/21/86/01/961218601.db2.gz SNPFDCAFDNOASU-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC001340751003 963107701 /nfs/dbraw/zinc/10/77/01/963107701.db2.gz MEYHKIKIJJPEDF-KGLIPLIRSA-N 2 0 265.401 1.223 10 30 CDEERP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC001349821915 966486068 /nfs/dbraw/zinc/48/60/68/966486068.db2.gz BLRHIFVXQWIPIM-KBPBESRZSA-N 2 0 280.416 1.246 10 30 CDEERP C[NH+](C)C[C@@H]1CN(C(=O)CCCCC#N)C[C@H]1C[NH+](C)C ZINC001352019101 967063382 /nfs/dbraw/zinc/06/33/82/967063382.db2.gz ADZKNHCPWOLXPN-HUUCEWRRSA-N 2 0 294.443 1.268 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001448503994 967133173 /nfs/dbraw/zinc/13/31/73/967133173.db2.gz UGURUXJXHCZFJN-MGPQQGTHSA-N 2 0 299.846 1.708 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)CCC[NH2+]1 ZINC001354957247 968978506 /nfs/dbraw/zinc/97/85/06/968978506.db2.gz KZOZKMMKRHTJKP-FVQBIDKESA-N 2 0 277.412 1.333 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001569614259 1169937583 /nfs/dbraw/zinc/93/75/83/1169937583.db2.gz PUKIMQFZOLQQLU-JKSUJKDBSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CCC)CCCC1 ZINC001495958517 972719047 /nfs/dbraw/zinc/71/90/47/972719047.db2.gz JEDTYHFIVZNJDD-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)C ZINC001496630934 973000390 /nfs/dbraw/zinc/00/03/90/973000390.db2.gz SYHJWXRJJPUKIZ-RDJZCZTQSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497749615 973486948 /nfs/dbraw/zinc/48/69/48/973486948.db2.gz JWQHBXDHDAXATD-PSKZRQQASA-N 2 0 265.401 1.166 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001497843590 973546639 /nfs/dbraw/zinc/54/66/39/973546639.db2.gz TUAIQCNXAMWDDF-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001497983877 973597909 /nfs/dbraw/zinc/59/79/09/973597909.db2.gz POSKKIDYRWEDLK-CYBMUJFWSA-N 2 0 253.390 1.143 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001375519837 974411249 /nfs/dbraw/zinc/41/12/49/974411249.db2.gz COWBAOQBABPYON-GFCCVEGCSA-N 2 0 285.819 1.319 10 30 CDEERP C=CCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]2C1 ZINC001501240696 974552538 /nfs/dbraw/zinc/55/25/38/974552538.db2.gz RLZQYAIAQNOHAM-GASCZTMLSA-N 2 0 279.428 1.295 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001501618487 974608876 /nfs/dbraw/zinc/60/88/76/974608876.db2.gz LMDNGVZLRWGMJZ-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001501968969 974665996 /nfs/dbraw/zinc/66/59/96/974665996.db2.gz ZETOBHJAKBQMFC-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001506752020 975217101 /nfs/dbraw/zinc/21/71/01/975217101.db2.gz NBMWMCUJONPHGE-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001506885917 975246629 /nfs/dbraw/zinc/24/66/29/975246629.db2.gz WNZDNMWGYXSRLT-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001506959214 975274329 /nfs/dbraw/zinc/27/43/29/975274329.db2.gz ZGVOZWQFNOBTPO-HNNXBMFYSA-N 2 0 297.418 1.222 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001508016059 975575606 /nfs/dbraw/zinc/57/56/06/975575606.db2.gz LAPBGOMFBAKFMN-ZDUSSCGKSA-N 2 0 267.417 1.082 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001508039978 975583267 /nfs/dbraw/zinc/58/32/67/975583267.db2.gz VHBBPSVZSFZHAT-UONOGXRCSA-N 2 0 283.460 1.879 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001398686226 976107925 /nfs/dbraw/zinc/10/79/25/976107925.db2.gz JOIBSKWXYLWXAP-KBPBESRZSA-N 2 0 299.846 1.661 10 30 CDEERP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001675958608 1174168959 /nfs/dbraw/zinc/16/89/59/1174168959.db2.gz IIVBOEGCXLAIDQ-KKUMJFAQSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001676369985 1174216058 /nfs/dbraw/zinc/21/60/58/1174216058.db2.gz YZNQVPPJDMJXMB-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001676679807 1174253806 /nfs/dbraw/zinc/25/38/06/1174253806.db2.gz DVYRPCHWVDYGOV-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001676766469 1174269875 /nfs/dbraw/zinc/26/98/75/1174269875.db2.gz DWLDTSBVFNCBPM-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001571466464 1170440464 /nfs/dbraw/zinc/44/04/64/1170440464.db2.gz VRPYRLNFHRPJKK-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001571545673 1170472700 /nfs/dbraw/zinc/47/27/00/1170472700.db2.gz FPEDJQDDICHNFY-HOTGVXAUSA-N 2 0 293.455 1.779 10 30 CDEERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000593912298 342856042 /nfs/dbraw/zinc/85/60/42/342856042.db2.gz CXJUMGLFLMMCLD-ZDUSSCGKSA-N 2 0 268.405 1.102 10 30 CDEERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438039 342905804 /nfs/dbraw/zinc/90/58/04/342905804.db2.gz MIUAZXVGXQONOM-CABCVRRESA-N 2 0 294.443 1.778 10 30 CDEERP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600735564 342246340 /nfs/dbraw/zinc/24/63/40/342246340.db2.gz LFUMJKIUKJFLDM-KBPBESRZSA-N 2 0 265.401 1.363 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000594424425 342903884 /nfs/dbraw/zinc/90/38/84/342903884.db2.gz DJGVPIITYSTKDN-CYBMUJFWSA-N 2 0 280.416 1.566 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000594424454 342904077 /nfs/dbraw/zinc/90/40/77/342904077.db2.gz DTMUXSYKNFDDMD-OAHLLOKOSA-N 2 0 294.443 1.826 10 30 CDEERP N#CC1(c2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000597025948 343437597 /nfs/dbraw/zinc/43/75/97/343437597.db2.gz HBSFUMJTXVYNCH-GASCZTMLSA-N 2 0 267.376 1.893 10 30 CDEERP CN(CCC[N@H+](C)Cc1ccc(C#N)cc1)CC[NH+](C)C ZINC000289541440 197396235 /nfs/dbraw/zinc/39/62/35/197396235.db2.gz WRVJLKIRLONOKS-UHFFFAOYSA-N 2 0 288.439 1.874 10 30 CDEERP COC[C@H]1CCC[N@@H+]1CC#CC[NH+]1CCC[C@H]1COC ZINC000671241961 541978777 /nfs/dbraw/zinc/97/87/77/541978777.db2.gz VMKTXMFDSKPEKU-IYBDPMFKSA-N 2 0 280.412 1.211 10 30 CDEERP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001662919552 1172615566 /nfs/dbraw/zinc/61/55/66/1172615566.db2.gz XAQWYLXIPUFQLV-ZBFHGGJFSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662680156 413298528 /nfs/dbraw/zinc/29/85/28/413298528.db2.gz GLRYBMAETVXHGV-HOCLYGCPSA-N 2 0 279.428 1.533 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCC[C@@H](O)C2)s1 ZINC000043683964 175092155 /nfs/dbraw/zinc/09/21/55/175092155.db2.gz KRISYPSITNYBND-LLVKDONJSA-N 2 0 250.367 1.015 10 30 CDEERP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#CC[NH3+])cc2)C1 ZINC000044560312 175204069 /nfs/dbraw/zinc/20/40/69/175204069.db2.gz RTDPMXODUUKJNZ-OAHLLOKOSA-N 2 0 285.391 1.068 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001666403527 1173132356 /nfs/dbraw/zinc/13/23/56/1173132356.db2.gz IJFVSBIQUMYDJT-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)c1ccn2c(C)cnc2c1 ZINC001666902455 1173204359 /nfs/dbraw/zinc/20/43/59/1173204359.db2.gz IIHPUWCVINUWEN-LBPRGKRZSA-N 2 0 286.379 1.879 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000662402486 424042937 /nfs/dbraw/zinc/04/29/37/424042937.db2.gz ABPTYNUVUUHMGB-UMVBOHGHSA-N 2 0 265.401 1.189 10 30 CDEERP C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001667076278 1173230881 /nfs/dbraw/zinc/23/08/81/1173230881.db2.gz LJMMAGZSSXYKHP-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001669861900 1173620632 /nfs/dbraw/zinc/62/06/32/1173620632.db2.gz GQXUINSGBKKTAM-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001671693790 1173704619 /nfs/dbraw/zinc/70/46/19/1173704619.db2.gz NMNSVJNQZHHTJR-QGZVFWFLSA-N 2 0 291.439 1.466 10 30 CDEERP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262454760 330014148 /nfs/dbraw/zinc/01/41/48/330014148.db2.gz KUQMDBZUNKOAMG-UONOGXRCSA-N 2 0 282.432 1.142 10 30 CDEERP C[NH+]=C(NC1CCC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262756789 330029710 /nfs/dbraw/zinc/02/97/10/330029710.db2.gz BRKGHBOUZSHAFI-HNNXBMFYSA-N 2 0 278.444 1.968 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001698861597 1175967040 /nfs/dbraw/zinc/96/70/40/1175967040.db2.gz QQRCOYXHUGQKHF-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267652951 1159556596 /nfs/dbraw/zinc/55/65/96/1159556596.db2.gz HVKRUZTUPXVSSB-OWCLPIDISA-N 2 0 291.439 1.130 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001284349709 1160023010 /nfs/dbraw/zinc/02/30/10/1160023010.db2.gz ZTKPRFQGZYSPIR-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482354211 1160169416 /nfs/dbraw/zinc/16/94/16/1160169416.db2.gz PDFDSWGVDCYFLO-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001482555869 1160390322 /nfs/dbraw/zinc/39/03/22/1160390322.db2.gz CXOAMKOULXLXLN-JKSUJKDBSA-N 2 0 293.455 1.613 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)CCC[NH2+]1 ZINC000662672495 482418496 /nfs/dbraw/zinc/41/84/96/482418496.db2.gz BXDJLHAWWBQAGD-GDBMZVCRSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)[C@@H](CO)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000680432334 483618790 /nfs/dbraw/zinc/61/87/90/483618790.db2.gz ZTDQSLLEWZQVIH-MRXNPFEDSA-N 2 0 295.471 1.273 10 30 CDEERP C#CC[NH+](C)[C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001700465519 1160676113 /nfs/dbraw/zinc/67/61/13/1160676113.db2.gz GDMZVPIECKODMZ-AWEZNQCLSA-N 2 0 293.455 1.709 10 30 CDEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001691629966 1160774798 /nfs/dbraw/zinc/77/47/98/1160774798.db2.gz ZMODHVBINZTXPU-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001713471202 1178588028 /nfs/dbraw/zinc/58/80/28/1178588028.db2.gz DEWREMWLXZYHAR-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP COC1CC[NH+](CCOc2ccc(C#CC[NH3+])cc2)CC1 ZINC000049609079 522705863 /nfs/dbraw/zinc/70/58/63/522705863.db2.gz TWCPBBJKSJBMGX-UHFFFAOYSA-N 2 0 288.391 1.486 10 30 CDEERP CC1(C)C[C@@H]([NH2+]C2CCN(CC#N)CC2)C[C@@H]([NH3+])C1 ZINC000925609506 617553570 /nfs/dbraw/zinc/55/35/70/617553570.db2.gz UWMAFHXJGLKIFI-OCCSQVGLSA-N 2 0 264.417 1.470 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000899941203 622562427 /nfs/dbraw/zinc/56/24/27/622562427.db2.gz BKSYBCHBUCSCQK-INIZCTEOSA-N 2 0 289.423 1.913 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000900585066 623295409 /nfs/dbraw/zinc/29/54/09/623295409.db2.gz HLBSFYHILVNVCH-OAHLLOKOSA-N 2 0 297.443 1.064 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000900916255 623652045 /nfs/dbraw/zinc/65/20/45/623652045.db2.gz XSINPYWEHIZPKU-MRXNPFEDSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001700415773 1158996791 /nfs/dbraw/zinc/99/67/91/1158996791.db2.gz AXTLLAVISSTWDX-ZIAGYGMSSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001691346435 1159028075 /nfs/dbraw/zinc/02/80/75/1159028075.db2.gz YKAPYSJHBAGIAZ-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267999122 1159643066 /nfs/dbraw/zinc/64/30/66/1159643066.db2.gz CBPOQKVBOWNIRK-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001483345974 1160909190 /nfs/dbraw/zinc/90/91/90/1160909190.db2.gz RLIXWTIKPXVWAI-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001566909692 1168463135 /nfs/dbraw/zinc/46/31/35/1168463135.db2.gz CWGRDEHBJBQDNU-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567054330 1168535880 /nfs/dbraw/zinc/53/58/80/1168535880.db2.gz PSQVLJJGCPWOIP-BBRMVZONSA-N 2 0 299.434 1.869 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001567155125 1168600535 /nfs/dbraw/zinc/60/05/35/1168600535.db2.gz MEYBAJHJAXAUEM-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567404142 1168735615 /nfs/dbraw/zinc/73/56/15/1168735615.db2.gz UWBDRYUXDCGYPP-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001568453542 1169296289 /nfs/dbraw/zinc/29/62/89/1169296289.db2.gz UJBBPVHGYJNJHS-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001568865381 1169524753 /nfs/dbraw/zinc/52/47/53/1169524753.db2.gz BYHDAQJGORCMMS-MBVDDHJVSA-N 2 0 279.428 1.699 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001568969958 1169568344 /nfs/dbraw/zinc/56/83/44/1169568344.db2.gz RIZSJEZBMHECNW-VBROQKIQSA-N 2 0 299.846 1.875 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001569151791 1169693296 /nfs/dbraw/zinc/69/32/96/1169693296.db2.gz OTEWPMHQZNGYDZ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001570259137 1170123136 /nfs/dbraw/zinc/12/31/36/1170123136.db2.gz JOPQQVCNVQPQGU-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001570399637 1170151361 /nfs/dbraw/zinc/15/13/61/1170151361.db2.gz HDCKNUPHGDDGFK-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)CCC)CC1 ZINC001660794324 1172277322 /nfs/dbraw/zinc/27/73/22/1172277322.db2.gz LBPWKLHTLWRQTN-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001662651286 1172577034 /nfs/dbraw/zinc/57/70/34/1172577034.db2.gz WXFGRJZCGWVJAR-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668173504 1173377240 /nfs/dbraw/zinc/37/72/40/1173377240.db2.gz JJGQZTHCLDLNJG-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[N@@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001673483238 1173862481 /nfs/dbraw/zinc/86/24/81/1173862481.db2.gz NEGYBLODPWSEBA-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691752168 1174000963 /nfs/dbraw/zinc/00/09/63/1174000963.db2.gz BXRRIUVTZYWVJV-FPCVCCKLSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001675919757 1174165241 /nfs/dbraw/zinc/16/52/41/1174165241.db2.gz LARVENCDELMQBX-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]C/C=C\Cl)CC1 ZINC001690650561 1175536096 /nfs/dbraw/zinc/53/60/96/1175536096.db2.gz MSGKSGWIOFMOAA-LLPBQKLSSA-N 2 0 297.830 1.178 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001698564707 1175846397 /nfs/dbraw/zinc/84/63/97/1175846397.db2.gz WKAVNMCJGVFGMC-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001698667348 1175891322 /nfs/dbraw/zinc/89/13/22/1175891322.db2.gz FJJULYVERAXCNE-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001698667347 1175891832 /nfs/dbraw/zinc/89/18/32/1175891832.db2.gz FJJULYVERAXCNE-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001698891970 1175979455 /nfs/dbraw/zinc/97/94/55/1175979455.db2.gz LXKKBIWTIGTBIQ-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001699065613 1176065743 /nfs/dbraw/zinc/06/57/43/1176065743.db2.gz QRYLWXKNZGSYHY-HUUCEWRRSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699317451 1176220173 /nfs/dbraw/zinc/22/01/73/1176220173.db2.gz KEVOQCBUYZSZCO-CMDGGOBGSA-N 2 0 291.439 1.394 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001700355367 1176869336 /nfs/dbraw/zinc/86/93/36/1176869336.db2.gz HPDSUCXQRSGYKV-HNNXBMFYSA-N 2 0 291.439 1.417 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001700517238 1176991407 /nfs/dbraw/zinc/99/14/07/1176991407.db2.gz KMXUUVAYFXGUCZ-JKSUJKDBSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001700628617 1177042100 /nfs/dbraw/zinc/04/21/00/1177042100.db2.gz AHCRCWOXASOTJR-RBSFLKMASA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001700777373 1177128761 /nfs/dbraw/zinc/12/87/61/1177128761.db2.gz KMYZMDIQSWBEJZ-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001700988449 1177227641 /nfs/dbraw/zinc/22/76/41/1177227641.db2.gz QJVKKILGKSKOKQ-GJZGRUSLSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001707094158 1177951216 /nfs/dbraw/zinc/95/12/16/1177951216.db2.gz TWABETSMENIQDW-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1CC ZINC001707194221 1177965047 /nfs/dbraw/zinc/96/50/47/1177965047.db2.gz HGINZOCBHNYYSR-SOUVJXGZSA-N 2 0 299.434 1.821 10 30 CDEERP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001713255502 1178454907 /nfs/dbraw/zinc/45/49/07/1178454907.db2.gz NLIKYJNKWJFNFT-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]C1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001713290734 1178469009 /nfs/dbraw/zinc/46/90/09/1178469009.db2.gz NCEBFTWJYRPFFK-UHFFFAOYSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713535512 1178630724 /nfs/dbraw/zinc/63/07/24/1178630724.db2.gz CNXAYFJCEURTHV-AWEZNQCLSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCCC=C)CC1 ZINC001714309778 1179079679 /nfs/dbraw/zinc/07/96/79/1179079679.db2.gz RDTWZGIQNIDVSJ-OAHLLOKOSA-N 2 0 291.439 1.392 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001714354858 1179102347 /nfs/dbraw/zinc/10/23/47/1179102347.db2.gz URMOBNUMHFRDIO-HNNXBMFYSA-N 2 0 291.439 1.629 10 30 CDEERP C=CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001714541392 1179198485 /nfs/dbraw/zinc/19/84/85/1179198485.db2.gz LZWSKFQCGOYEHS-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001714646056 1179294567 /nfs/dbraw/zinc/29/45/67/1179294567.db2.gz OBBNTEAAXUIYCT-ZIAGYGMSSA-N 2 0 290.411 1.603 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001715159984 1179566398 /nfs/dbraw/zinc/56/63/98/1179566398.db2.gz IKTNAZZKJYYLES-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001715389694 1179653638 /nfs/dbraw/zinc/65/36/38/1179653638.db2.gz WQQLQBQXUXGLPY-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001715476778 1179676946 /nfs/dbraw/zinc/67/69/46/1179676946.db2.gz QPXVXORTXOXROB-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001715761354 1179793803 /nfs/dbraw/zinc/79/38/03/1179793803.db2.gz HHCQPRBZTHGFRP-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001715775042 1179800752 /nfs/dbraw/zinc/80/07/52/1179800752.db2.gz GCTOPYBPVLCQPH-OKILXGFUSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001715983981 1179963425 /nfs/dbraw/zinc/96/34/25/1179963425.db2.gz SEOOCWHXRCJPJN-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001716368432 1180170768 /nfs/dbraw/zinc/17/07/68/1180170768.db2.gz RZAQTBARQCAQQH-MUHKLVGJSA-N 2 0 277.412 1.002 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001716611099 1180305210 /nfs/dbraw/zinc/30/52/10/1180305210.db2.gz CRHLOIUMZQXMBA-ARFHVFGLSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001716701301 1180379339 /nfs/dbraw/zinc/37/93/39/1180379339.db2.gz ZPEHGCYDUJBDAH-UHFFFAOYSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001716851080 1180441041 /nfs/dbraw/zinc/44/10/41/1180441041.db2.gz KGJSYZCURSUIMK-OAHLLOKOSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001716879545 1180451770 /nfs/dbraw/zinc/45/17/70/1180451770.db2.gz ZCGITLSMWDXNIU-INIZCTEOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001717098779 1180530995 /nfs/dbraw/zinc/53/09/95/1180530995.db2.gz IEVAFYSMHJXLHZ-OAHLLOKOSA-N 2 0 295.471 1.979 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001717423734 1180664499 /nfs/dbraw/zinc/66/44/99/1180664499.db2.gz WSMIBFKPIVHWLD-ZIAGYGMSSA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001717528493 1180721721 /nfs/dbraw/zinc/72/17/21/1180721721.db2.gz ZTOICFPECPBUPS-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001717551977 1180736736 /nfs/dbraw/zinc/73/67/36/1180736736.db2.gz DITAKWILPRJOFV-GXTWGEPZSA-N 2 0 267.417 1.339 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001717682519 1180789665 /nfs/dbraw/zinc/78/96/65/1180789665.db2.gz VHIQAAHYLXUWQB-JYJNAYRXSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001717702838 1180796305 /nfs/dbraw/zinc/79/63/05/1180796305.db2.gz FISLYAAXOCINDT-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cncn2C)C1 ZINC001717825336 1180881543 /nfs/dbraw/zinc/88/15/43/1180881543.db2.gz FDJCMEZHPISOGN-ZIAGYGMSSA-N 2 0 290.411 1.508 10 30 CDEERP CC#CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001717861601 1180896682 /nfs/dbraw/zinc/89/66/82/1180896682.db2.gz YSLBOQXVCIKQLV-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001724095236 1181636058 /nfs/dbraw/zinc/63/60/58/1181636058.db2.gz MHAHDNDZMGIKDH-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001724204953 1181653877 /nfs/dbraw/zinc/65/38/77/1181653877.db2.gz QAGQNAXWRJZYGC-GOEBONIOSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001724545500 1181692624 /nfs/dbraw/zinc/69/26/24/1181692624.db2.gz PYPPWXZSHANITO-HOCLYGCPSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001724644735 1181713631 /nfs/dbraw/zinc/71/36/31/1181713631.db2.gz BMIWCLBEKQIZDN-JKSUJKDBSA-N 2 0 293.455 1.968 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001724651175 1181715202 /nfs/dbraw/zinc/71/52/02/1181715202.db2.gz PARKPNNXOMEDKA-CVEARBPZSA-N 2 0 293.455 1.968 10 30 CDEERP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001724659655 1181717781 /nfs/dbraw/zinc/71/77/81/1181717781.db2.gz WLGWCJCABMLRFB-GJZGRUSLSA-N 2 0 289.423 1.027 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001724854874 1181769895 /nfs/dbraw/zinc/76/98/95/1181769895.db2.gz SUMNEXRPCDSNHZ-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001725185106 1181910937 /nfs/dbraw/zinc/91/09/37/1181910937.db2.gz JBPSYTDCMURXHT-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001725327077 1181962757 /nfs/dbraw/zinc/96/27/57/1181962757.db2.gz KZOOHKWRCRFIFZ-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001725385092 1181984224 /nfs/dbraw/zinc/98/42/24/1181984224.db2.gz AHGCGFZLIGFZBF-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C ZINC001725753140 1182121273 /nfs/dbraw/zinc/12/12/73/1182121273.db2.gz TTWSFZHOCMDIJU-ZDUSSCGKSA-N 2 0 269.433 1.635 10 30 CDEERP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001731270972 1182286192 /nfs/dbraw/zinc/28/61/92/1182286192.db2.gz FMMIORSSHFCHNR-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001731913690 1182676856 /nfs/dbraw/zinc/67/68/56/1182676856.db2.gz REBBNPOJUJGVAP-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001731987604 1182716215 /nfs/dbraw/zinc/71/62/15/1182716215.db2.gz IYVCHRYZHZCOBT-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001732139302 1182795151 /nfs/dbraw/zinc/79/51/51/1182795151.db2.gz YOZSWWVCAKWHOC-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001732164658 1182823985 /nfs/dbraw/zinc/82/39/85/1182823985.db2.gz GFACBFBJSCMLOX-LSDHHAIUSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732436511 1182965302 /nfs/dbraw/zinc/96/53/02/1182965302.db2.gz JQYVFFBAUSKSJS-CJNGLKHVSA-N 2 0 299.434 1.821 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CN(CC)CCO1 ZINC001732471165 1182981737 /nfs/dbraw/zinc/98/17/37/1182981737.db2.gz HMOKKGQOIGNRGJ-CABCVRRESA-N 2 0 297.443 1.014 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001732490322 1182988266 /nfs/dbraw/zinc/98/82/66/1182988266.db2.gz WOFJDUJTSWPODM-GOEBONIOSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001732490471 1182988286 /nfs/dbraw/zinc/98/82/86/1182988286.db2.gz XNLBCQBCDRZBRB-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001732600859 1183042860 /nfs/dbraw/zinc/04/28/60/1183042860.db2.gz WTKPRCHIHUALNQ-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001732940720 1183191530 /nfs/dbraw/zinc/19/15/30/1183191530.db2.gz SCFNTXYITSGEKV-TWRSITDPSA-N 2 0 299.846 1.874 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]CC2CC2)CC1 ZINC001733146994 1183306852 /nfs/dbraw/zinc/30/68/52/1183306852.db2.gz WARBVQJSDSSDGK-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001733342275 1183403614 /nfs/dbraw/zinc/40/36/14/1183403614.db2.gz RIYWJOJKWUAYDM-SOUVJXGZSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001733346650 1183404850 /nfs/dbraw/zinc/40/48/50/1183404850.db2.gz BZYHHARNAWEIFF-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001733664407 1183493174 /nfs/dbraw/zinc/49/31/74/1183493174.db2.gz AEZFRDALAMLJLH-OAHLLOKOSA-N 2 0 293.455 1.426 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733970687 1183594479 /nfs/dbraw/zinc/59/44/79/1183594479.db2.gz HZOKCZUCDMLZIX-LSDHHAIUSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001734404591 1183764433 /nfs/dbraw/zinc/76/44/33/1183764433.db2.gz BCFUFBVAUSIPEI-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC001750930472 1184783052 /nfs/dbraw/zinc/78/30/52/1184783052.db2.gz ZGZBCSPBUCXIOQ-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C[C@H](COC(=O)[C@@H]1CC2CC[N+]1(C)CC2)[N+](C)(C)C ZINC000005751465 717101281 /nfs/dbraw/zinc/10/12/81/717101281.db2.gz RBRODONAZYQAJP-ZBUZPQQSSA-N 2 0 270.417 1.253 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CCC[NH+]1C ZINC001618814338 1165644949 /nfs/dbraw/zinc/64/49/49/1165644949.db2.gz UCNJGPXLLHMNGW-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000876846056 823893822 /nfs/dbraw/zinc/89/38/22/823893822.db2.gz MEHYJIGMCHKFBB-KBPBESRZSA-N 2 0 293.798 1.460 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CCC[NH2+]1 ZINC000877248956 824123474 /nfs/dbraw/zinc/12/34/74/824123474.db2.gz GMAGLSMBVURMGP-OFQRWUPVSA-N 2 0 277.412 1.237 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000876532933 824316068 /nfs/dbraw/zinc/31/60/68/824316068.db2.gz NCJPOSXKQFWRDQ-NEPJUHHUSA-N 2 0 273.808 1.480 10 30 CDEERP CC[NH+]1CCN(CCNC(=[NH2+])Nc2cccc(C)c2)CC1 ZINC000303911840 824365284 /nfs/dbraw/zinc/36/52/84/824365284.db2.gz ZVQHRYZUGLIDJV-UHFFFAOYSA-N 2 0 289.427 1.359 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863032177 825189127 /nfs/dbraw/zinc/18/91/27/825189127.db2.gz MQEDKEPLJDTLHZ-CQSZACIVSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000876947766 826353455 /nfs/dbraw/zinc/35/34/55/826353455.db2.gz BDMFRHNINQNYTF-ADEWGFFLSA-N 2 0 273.808 1.432 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCN[C@H](c2ccccc2C)C1 ZINC000825170185 826897925 /nfs/dbraw/zinc/89/79/25/826897925.db2.gz UIVKZSSYBGHLHE-INIZCTEOSA-N 2 0 287.407 1.586 10 30 CDEERP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001569118787 1167553128 /nfs/dbraw/zinc/55/31/28/1167553128.db2.gz GWRVZJJDOHVRMH-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001566988076 1168039829 /nfs/dbraw/zinc/03/98/29/1168039829.db2.gz XIZPUPUEPGFDNF-UHFFFAOYSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001266377315 894628308 /nfs/dbraw/zinc/62/83/08/894628308.db2.gz UCKMTVLNEIKFKA-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001266438702 894893284 /nfs/dbraw/zinc/89/32/84/894893284.db2.gz DAPXNRQZVIFGOO-CABCVRRESA-N 2 0 279.428 1.080 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266545958 895300460 /nfs/dbraw/zinc/30/04/60/895300460.db2.gz RWTFEWLPCCOBPF-KBPBESRZSA-N 2 0 267.417 1.197 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266880865 896267875 /nfs/dbraw/zinc/26/78/75/896267875.db2.gz QABBCNXOYMYAHH-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267039159 896617250 /nfs/dbraw/zinc/61/72/50/896617250.db2.gz MXFBXPNYDWIHLD-GJZGRUSLSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267152509 896933041 /nfs/dbraw/zinc/93/30/41/896933041.db2.gz OCDMKTWIFIHCRZ-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267175072 897012269 /nfs/dbraw/zinc/01/22/69/897012269.db2.gz PIESKLGGJRXAMG-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267319324 897579194 /nfs/dbraw/zinc/57/91/94/897579194.db2.gz GUFJRCIGZBWEIA-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001567633661 1168897205 /nfs/dbraw/zinc/89/72/05/1168897205.db2.gz MKBPXMMZZJFDAM-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001481111712 898877695 /nfs/dbraw/zinc/87/76/95/898877695.db2.gz JWVHTPIWFFPHMU-HNNXBMFYSA-N 2 0 295.471 1.979 10 30 CDEERP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001267809511 899783211 /nfs/dbraw/zinc/78/32/11/899783211.db2.gz MTHGRAQARUPDPJ-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001267859149 899886248 /nfs/dbraw/zinc/88/62/48/899886248.db2.gz HYZWJHOJPZWRAY-GDBMZVCRSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001481452199 900714050 /nfs/dbraw/zinc/71/40/50/900714050.db2.gz KMLGHPQMRICVAK-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001481461402 900767321 /nfs/dbraw/zinc/76/73/21/900767321.db2.gz BYWRTVPBPJZHRF-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001268285927 901751657 /nfs/dbraw/zinc/75/16/57/901751657.db2.gz BNABUGXGUQFZQG-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001481753720 902016329 /nfs/dbraw/zinc/01/63/29/902016329.db2.gz XQFLJINXRMIMPP-INIZCTEOSA-N 2 0 291.439 1.418 10 30 CDEERP C#CCC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001482035405 902514925 /nfs/dbraw/zinc/51/49/25/902514925.db2.gz ZEEODFFGQHCCPQ-UHFFFAOYSA-N 2 0 299.418 1.512 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001498658916 902931483 /nfs/dbraw/zinc/93/14/83/902931483.db2.gz UAPZIUORAYLNHE-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001268732385 903048896 /nfs/dbraw/zinc/04/88/96/903048896.db2.gz JCINQBSQHWXKHR-UONOGXRCSA-N 2 0 285.407 1.126 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)Cn1ccnc1C(C)C ZINC001268869526 903195650 /nfs/dbraw/zinc/19/56/50/903195650.db2.gz ZNYOWZWQNQRXOS-UHFFFAOYSA-N 2 0 290.411 1.468 10 30 CDEERP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001269991771 904254299 /nfs/dbraw/zinc/25/42/99/904254299.db2.gz SZTKLDFJPNKQFX-HDJSIYSDSA-N 2 0 277.412 1.121 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001270125023 904382413 /nfs/dbraw/zinc/38/24/13/904382413.db2.gz QZYYICITPFXPMO-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001270166183 904409515 /nfs/dbraw/zinc/40/95/15/904409515.db2.gz TZGJWPPIDNDSNF-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001482637820 908098799 /nfs/dbraw/zinc/09/87/99/908098799.db2.gz KCEUFCYIUVSHBU-UHFFFAOYSA-N 2 0 279.428 1.132 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001567958271 1169093758 /nfs/dbraw/zinc/09/37/58/1169093758.db2.gz LGKZPINBHPHDNL-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001568087928 1169134506 /nfs/dbraw/zinc/13/45/06/1169134506.db2.gz ULGFJDMMONQQDP-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484378668 915696279 /nfs/dbraw/zinc/69/62/79/915696279.db2.gz ZPSSHCVWNWHIGF-KBPBESRZSA-N 2 0 267.417 1.198 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001484382526 915698597 /nfs/dbraw/zinc/69/85/97/915698597.db2.gz IXQOULYIYFFONF-LSDHHAIUSA-N 2 0 281.444 1.588 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001484376306 915698809 /nfs/dbraw/zinc/69/88/09/915698809.db2.gz YYGCZHJNKHUBQO-CABCVRRESA-N 2 0 281.444 1.588 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001484937857 916283090 /nfs/dbraw/zinc/28/30/90/916283090.db2.gz RGXGDNIAISZUPN-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001484937855 916283998 /nfs/dbraw/zinc/28/39/98/916283998.db2.gz RGXGDNIAISZUPN-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001568235388 1169192678 /nfs/dbraw/zinc/19/26/78/1169192678.db2.gz NBJOIZHIBKCASO-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]cnc1C ZINC001485833375 919778157 /nfs/dbraw/zinc/77/81/57/919778157.db2.gz CQUGJNYQRUVVAZ-HNNXBMFYSA-N 2 0 288.395 1.111 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485922657 920578194 /nfs/dbraw/zinc/57/81/94/920578194.db2.gz PCDVAZZUGPJSPK-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486181544 920785894 /nfs/dbraw/zinc/78/58/94/920785894.db2.gz UMOHZQSUIATOPN-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001486481632 921059468 /nfs/dbraw/zinc/05/94/68/921059468.db2.gz WQAMCKRMWCHGBV-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001568321011 1169243782 /nfs/dbraw/zinc/24/37/82/1169243782.db2.gz SQFGEJYIDWQKPS-CYBMUJFWSA-N 2 0 255.406 1.339 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001491185189 936870598 /nfs/dbraw/zinc/87/05/98/936870598.db2.gz IPQFHEWPQSXKAB-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001568398532 1169272417 /nfs/dbraw/zinc/27/24/17/1169272417.db2.gz XZNKWHSUNRJUHL-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001490774365 927340178 /nfs/dbraw/zinc/34/01/78/927340178.db2.gz AGIBHYJHPLJIPI-JKSUJKDBSA-N 2 0 293.455 1.376 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCOCC1 ZINC001273980342 930358578 /nfs/dbraw/zinc/35/85/78/930358578.db2.gz YQKRAORTFVDXKT-CQSZACIVSA-N 2 0 297.443 1.158 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001274398269 931497118 /nfs/dbraw/zinc/49/71/18/931497118.db2.gz IECHUIAFMGCVJV-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001274878467 931600783 /nfs/dbraw/zinc/60/07/83/931600783.db2.gz YFZWGCWTNZUOHQ-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001274943948 931614325 /nfs/dbraw/zinc/61/43/25/931614325.db2.gz KDPOERVNBZKWKN-HUUCEWRRSA-N 2 0 279.428 1.367 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001275136170 931675630 /nfs/dbraw/zinc/67/56/30/931675630.db2.gz SCXKNDBCRQFBQD-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001275571855 931888252 /nfs/dbraw/zinc/88/82/52/931888252.db2.gz RNVBQTQXKAKGOK-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001275703557 931966782 /nfs/dbraw/zinc/96/67/82/931966782.db2.gz AOJRVJBDGLIQNI-UHFFFAOYSA-N 2 0 279.428 1.036 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001275730774 931983958 /nfs/dbraw/zinc/98/39/58/931983958.db2.gz XJGCRPNTXQWSSF-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001275816766 932061080 /nfs/dbraw/zinc/06/10/80/932061080.db2.gz MXQKIOFPXAMUDO-JKSUJKDBSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001276013428 932236499 /nfs/dbraw/zinc/23/64/99/932236499.db2.gz XUPLBRDHCGXHBO-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001276034231 932254123 /nfs/dbraw/zinc/25/41/23/932254123.db2.gz KIYNUUQGSPZMRI-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001280094105 942417262 /nfs/dbraw/zinc/41/72/62/942417262.db2.gz HQSZXAUFMMETER-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001281666126 942607559 /nfs/dbraw/zinc/60/75/59/942607559.db2.gz WDKYUPAGKRSKPI-GJZGRUSLSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001281682108 942609338 /nfs/dbraw/zinc/60/93/38/942609338.db2.gz HGMUHGXALVDWRA-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001281967575 942638734 /nfs/dbraw/zinc/63/87/34/942638734.db2.gz ITBXGGMNKIVNBI-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001282230267 942681130 /nfs/dbraw/zinc/68/11/30/942681130.db2.gz OYMOAIRXCYYFTE-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH]cn1 ZINC001282307003 942687460 /nfs/dbraw/zinc/68/74/60/942687460.db2.gz RCZSZDZNFBLGGI-UHFFFAOYSA-N 2 0 290.411 1.440 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001282399496 942707355 /nfs/dbraw/zinc/70/73/55/942707355.db2.gz SPHBXOAYYQESPB-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001282890163 942767266 /nfs/dbraw/zinc/76/72/66/942767266.db2.gz WKXXYDZOFYSCPF-JONQDZQNSA-N 2 0 293.455 1.443 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001284001535 943044120 /nfs/dbraw/zinc/04/41/20/943044120.db2.gz BPLAGCZNEMNDQZ-GJZGRUSLSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001284244317 943129942 /nfs/dbraw/zinc/12/99/42/943129942.db2.gz IYLGHWLCHWWOIO-HZPDHXFCSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001263905291 944025531 /nfs/dbraw/zinc/02/55/31/944025531.db2.gz SWMZDBAPXZRQPE-ARFHVFGLSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001264373067 944118006 /nfs/dbraw/zinc/11/80/06/944118006.db2.gz RBRHSVXQIYTYSG-KBPBESRZSA-N 2 0 267.417 1.435 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001264393753 944125695 /nfs/dbraw/zinc/12/56/95/944125695.db2.gz KIPNPRLWPLOKNB-OWCLPIDISA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001264726352 944171016 /nfs/dbraw/zinc/17/10/16/944171016.db2.gz RJPDXLJCOSDVAE-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001265589566 944439030 /nfs/dbraw/zinc/43/90/30/944439030.db2.gz VJLBXKIUORFPJO-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001265782421 944507080 /nfs/dbraw/zinc/50/70/80/944507080.db2.gz XQWCSCHICCHNJN-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001265865351 944547246 /nfs/dbraw/zinc/54/72/46/944547246.db2.gz YSFXIYWSPNVJSH-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001265987141 944615494 /nfs/dbraw/zinc/61/54/94/944615494.db2.gz UIXSZBLEGSRXOE-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001266069404 944663582 /nfs/dbraw/zinc/66/35/82/944663582.db2.gz VYSLCGHMTUOAHY-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266101106 944680077 /nfs/dbraw/zinc/68/00/77/944680077.db2.gz TYKGQJGLVNUNCS-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001278326404 946191273 /nfs/dbraw/zinc/19/12/73/946191273.db2.gz QEKQOWJUUAUWEU-ZIAGYGMSSA-N 2 0 267.417 1.482 10 30 CDEERP C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001479246137 971271529 /nfs/dbraw/zinc/27/15/29/971271529.db2.gz LRFKUIXUHRLZFP-KBPBESRZSA-N 2 0 267.417 1.435 10 30 CDEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001479580224 971343433 /nfs/dbraw/zinc/34/34/33/971343433.db2.gz FIYIGBWKCYDGEU-PMPSAXMXSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001479707976 971377774 /nfs/dbraw/zinc/37/77/74/971377774.db2.gz SDWYBBCFKRXUSQ-RDBSUJKOSA-N 2 0 285.407 1.431 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001278900242 948153018 /nfs/dbraw/zinc/15/30/18/948153018.db2.gz SDZLPNWSYWUSTG-OAHLLOKOSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001569029597 1169602564 /nfs/dbraw/zinc/60/25/64/1169602564.db2.gz JOFMWYQVIFOFBY-CQSZACIVSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001480173214 971612645 /nfs/dbraw/zinc/61/26/45/971612645.db2.gz BPACSRXCIQAPLM-AJNGGQMLSA-N 2 0 279.428 1.672 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001480237428 971642153 /nfs/dbraw/zinc/64/21/53/971642153.db2.gz YLCIKNUYGYDJLJ-OKILXGFUSA-N 2 0 265.401 1.285 10 30 CDEERP C=CC[N@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001480325703 971671566 /nfs/dbraw/zinc/67/15/66/971671566.db2.gz UWOJNZPRHGKYKD-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001480329741 971673482 /nfs/dbraw/zinc/67/34/82/971673482.db2.gz CGHTYEZDOSIZNI-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC[C@@H](C)F)CC1 ZINC001569099313 1169644909 /nfs/dbraw/zinc/64/49/09/1169644909.db2.gz YRKVZHQQHZYHIL-KGLIPLIRSA-N 2 0 297.418 1.174 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001324728601 953546740 /nfs/dbraw/zinc/54/67/40/953546740.db2.gz RXKGIPHTERWTOC-INMHGKMJSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001324728600 953546966 /nfs/dbraw/zinc/54/69/66/953546966.db2.gz RXKGIPHTERWTOC-BFYDXBDKSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CC2CC2)CC1 ZINC001569152633 1169693943 /nfs/dbraw/zinc/69/39/43/1169693943.db2.gz FUKHYUHSFJCVEY-AWEZNQCLSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001326305426 954311916 /nfs/dbraw/zinc/31/19/16/954311916.db2.gz UKLACDCFZHNNFE-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001326554834 954430868 /nfs/dbraw/zinc/43/08/68/954430868.db2.gz HPEYHBMSRCLHTL-BZUAXINKSA-N 2 0 293.455 1.470 10 30 CDEERP C=C(C)CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001493307797 972015316 /nfs/dbraw/zinc/01/53/16/972015316.db2.gz AFBUXBFRZFWXJE-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001326913983 954616613 /nfs/dbraw/zinc/61/66/13/954616613.db2.gz YRGCIEDFBOILDL-UHFFFAOYSA-N 2 0 277.412 1.287 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001492027197 955616147 /nfs/dbraw/zinc/61/61/47/955616147.db2.gz OPHWSKNFKVKLIX-QLFBSQMISA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001329130077 955704434 /nfs/dbraw/zinc/70/44/34/955704434.db2.gz XZVABKHCDYTQRC-QWHCGFSZSA-N 2 0 269.433 1.633 10 30 CDEERP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001329442852 955920675 /nfs/dbraw/zinc/92/06/75/955920675.db2.gz UMRWXPGQRCTBJR-QLFBSQMISA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)CCC[NH+](C)C)C1 ZINC001493959299 972145815 /nfs/dbraw/zinc/14/58/15/972145815.db2.gz FJWFJDJGOALORB-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001493978798 972150107 /nfs/dbraw/zinc/15/01/07/972150107.db2.gz UFEOIIJKUYMPIN-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001330613225 956516584 /nfs/dbraw/zinc/51/65/84/956516584.db2.gz LCJSCXXRCHKLLX-KLHDSHLOSA-N 2 0 291.439 1.674 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001366465838 956852968 /nfs/dbraw/zinc/85/29/68/956852968.db2.gz AQZCFJRNSUHLRN-VXGBXAGGSA-N 2 0 275.824 1.564 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001331456278 957074075 /nfs/dbraw/zinc/07/40/75/957074075.db2.gz SUPSMRGBVUGJHL-SOUVJXGZSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316987706 957185885 /nfs/dbraw/zinc/18/58/85/957185885.db2.gz YLDIAECRTZUOOR-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001317086247 957260718 /nfs/dbraw/zinc/26/07/18/957260718.db2.gz FPZITQDRKQCBJS-RBSFLKMASA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317155174 957308815 /nfs/dbraw/zinc/30/88/15/957308815.db2.gz RGPMGKFLGWXJBP-ZIAGYGMSSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001332300612 957509656 /nfs/dbraw/zinc/50/96/56/957509656.db2.gz GJGXDBNOANOBJA-CABCVRRESA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001317769832 957656785 /nfs/dbraw/zinc/65/67/85/957656785.db2.gz LMLNRINOKLALIY-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001318175577 957957200 /nfs/dbraw/zinc/95/72/00/957957200.db2.gz BNHOEIXBWZJTJX-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320154352 958974665 /nfs/dbraw/zinc/97/46/65/958974665.db2.gz NPLSIAWTJIMEBR-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001322580383 960266612 /nfs/dbraw/zinc/26/66/12/960266612.db2.gz HLXVSBNUISIEQI-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001323566910 960823966 /nfs/dbraw/zinc/82/39/66/960823966.db2.gz LRTFXCXZSWTKCI-CABCVRRESA-N 2 0 291.439 1.818 10 30 CDEERP C#CC[NH2+]CC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001340750010 963105492 /nfs/dbraw/zinc/10/54/92/963105492.db2.gz BCUYXSSQLJJSJL-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001479876348 965255868 /nfs/dbraw/zinc/25/58/68/965255868.db2.gz QFNMJXAHSLNGDT-OAHLLOKOSA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001569639136 1169947617 /nfs/dbraw/zinc/94/76/17/1169947617.db2.gz NDNQZJAHGINRRO-GDBMZVCRSA-N 2 0 297.418 1.270 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497831431 973541427 /nfs/dbraw/zinc/54/14/27/973541427.db2.gz LLCGCDUKJHCBHZ-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001497969473 973593938 /nfs/dbraw/zinc/59/39/38/973593938.db2.gz WTTALFGBGQEJRX-OLZOCXBDSA-N 2 0 255.406 1.243 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001498077132 973660597 /nfs/dbraw/zinc/66/05/97/973660597.db2.gz ADJQXYPQVCULNZ-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498189685 973734395 /nfs/dbraw/zinc/73/43/95/973734395.db2.gz FLSBTURYMHBIBO-DOTOQJQBSA-N 2 0 299.418 1.084 10 30 CDEERP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001498367338 973864249 /nfs/dbraw/zinc/86/42/49/973864249.db2.gz VQEGAAVFSNOFED-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001569712788 1169974927 /nfs/dbraw/zinc/97/49/27/1169974927.db2.gz ZRHMRDYUBNNSGB-GOEBONIOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001499515212 974262722 /nfs/dbraw/zinc/26/27/22/974262722.db2.gz RYFASXRFFIKLDI-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001499845004 974313119 /nfs/dbraw/zinc/31/31/19/974313119.db2.gz TYQGTYCTQWDRGZ-HUUCEWRRSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001499858486 974316036 /nfs/dbraw/zinc/31/60/36/974316036.db2.gz WQTRKCDXPBJSFF-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001501153812 974542171 /nfs/dbraw/zinc/54/21/71/974542171.db2.gz WIRGCTBRPWWTBY-CVEARBPZSA-N 2 0 295.471 1.977 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001501617849 974609150 /nfs/dbraw/zinc/60/91/50/974609150.db2.gz GAIQSGMDRVFNMV-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501638447 974614803 /nfs/dbraw/zinc/61/48/03/974614803.db2.gz WSPQLDGSPPGZOL-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001502349879 974721359 /nfs/dbraw/zinc/72/13/59/974721359.db2.gz GYKPJGQSWCTZMK-UHFFFAOYSA-N 2 0 298.390 1.670 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001505706383 974970219 /nfs/dbraw/zinc/97/02/19/974970219.db2.gz OTCRKLXPSQIEBR-UONOGXRCSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001507449700 975475199 /nfs/dbraw/zinc/47/51/99/975475199.db2.gz JOWGNKAXMKRVQO-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001508153987 975621656 /nfs/dbraw/zinc/62/16/56/975621656.db2.gz DDNQWWQTOVUTII-UHFFFAOYSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379517311 975900942 /nfs/dbraw/zinc/90/09/42/975900942.db2.gz YVLKJFRTMVCOLN-WCQYABFASA-N 2 0 285.819 1.175 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001379579894 975937412 /nfs/dbraw/zinc/93/74/12/975937412.db2.gz AKLWJOVFMLMRFJ-STQMWFEESA-N 2 0 287.835 1.658 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001399427147 976477386 /nfs/dbraw/zinc/47/73/86/976477386.db2.gz JAHMAPRIQOOPPF-LBPRGKRZSA-N 2 0 273.808 1.319 10 30 CDEERP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001674157006 1173918895 /nfs/dbraw/zinc/91/88/95/1173918895.db2.gz YQEFRQYHJLXYAF-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001675139541 1174079581 /nfs/dbraw/zinc/07/95/81/1174079581.db2.gz FMUIXARKDDYLBU-CVEARBPZSA-N 2 0 293.455 1.424 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1(C)C ZINC001677004816 1174307580 /nfs/dbraw/zinc/30/75/80/1174307580.db2.gz ZEIIBJCLFCBFGZ-KBPBESRZSA-N 2 0 297.418 1.126 10 30 CDEERP CC#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)CCC)CC1 ZINC001677341954 1174352408 /nfs/dbraw/zinc/35/24/08/1174352408.db2.gz IOWHSGHKMCGPBJ-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001570009939 1170058606 /nfs/dbraw/zinc/05/86/06/1170058606.db2.gz QCNPTLZSVGUOFO-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH+](C)C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001571335263 1170370764 /nfs/dbraw/zinc/37/07/64/1170370764.db2.gz CBPFQYCMPVLPKB-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1(C)C ZINC001571558348 1170477545 /nfs/dbraw/zinc/47/75/45/1170477545.db2.gz ICDRTDHYTCBPIR-KBPBESRZSA-N 2 0 299.434 1.679 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001571562918 1170477941 /nfs/dbraw/zinc/47/79/41/1170477941.db2.gz YJIUMPZTPSOYLU-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000591570964 342637324 /nfs/dbraw/zinc/63/73/24/342637324.db2.gz LPTCLXNJLAXKQR-DOMZBBRYSA-N 2 0 261.369 1.963 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000594438452 342906348 /nfs/dbraw/zinc/90/63/48/342906348.db2.gz INKSFKVIWFDJSN-CABCVRRESA-N 2 0 292.427 1.342 10 30 CDEERP C=C(C)C[C@H](C)C(=O)NCCN(C)CCC[NH+](C)C ZINC000617764722 345960876 /nfs/dbraw/zinc/96/08/76/345960876.db2.gz DEJYOISKTYXMRI-AWEZNQCLSA-N 2 0 269.433 1.588 10 30 CDEERP C=CCN1CC[C@H](N2[C@H](C)[C@H](C)CC[C@H]2C[NH3+])C1=O ZINC000641810493 365899173 /nfs/dbraw/zinc/89/91/73/365899173.db2.gz XNOWJLCIYGZCBM-MQYQWHSLSA-N 2 0 265.401 1.221 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195278663 358424556 /nfs/dbraw/zinc/42/45/56/358424556.db2.gz DYYWDYAKVXAYEH-INIZCTEOSA-N 2 0 257.381 1.859 10 30 CDEERP C#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001661097258 1172333237 /nfs/dbraw/zinc/33/32/37/1172333237.db2.gz MDQCGHYQGQIDAX-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626970285 367107430 /nfs/dbraw/zinc/10/74/30/367107430.db2.gz JKMHFTAHJNLMQO-JSGCOSHPSA-N 2 0 280.416 1.077 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001661437018 1172390167 /nfs/dbraw/zinc/39/01/67/1172390167.db2.gz WUAYIOUKPGBKKV-VGWMRTNUSA-N 2 0 291.439 1.816 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCC[NH2+]1 ZINC000638515068 370542302 /nfs/dbraw/zinc/54/23/02/370542302.db2.gz XOQJRNFYCIRAQV-IUODEOHRSA-N 2 0 263.385 1.086 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001662219585 1172509478 /nfs/dbraw/zinc/50/94/78/1172509478.db2.gz KOIBOACKYOTPSA-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001662268767 1172519370 /nfs/dbraw/zinc/51/93/70/1172519370.db2.gz OVXHKEHNNQRDGF-CYBMUJFWSA-N 2 0 265.401 1.285 10 30 CDEERP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)N(C)CCC#N)CCN1C ZINC000092799316 378002894 /nfs/dbraw/zinc/00/28/94/378002894.db2.gz UHGVQDMGUGZIPT-ZIAGYGMSSA-N 2 0 280.416 1.163 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001662641589 1172573125 /nfs/dbraw/zinc/57/31/25/1172573125.db2.gz SNIQBEMWMBDYQU-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236660812 390918233 /nfs/dbraw/zinc/91/82/33/390918233.db2.gz QKYXNXDAEZWEEB-BPUTZDHNSA-N 2 0 291.439 1.674 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001663524314 1172715697 /nfs/dbraw/zinc/71/56/97/1172715697.db2.gz XJSIKBICIGJFPW-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423199034 397602538 /nfs/dbraw/zinc/60/25/38/397602538.db2.gz AFYROINKRSACGA-GFCCVEGCSA-N 2 0 276.359 1.253 10 30 CDEERP C#CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001664557435 1172868989 /nfs/dbraw/zinc/86/89/89/1172868989.db2.gz CIUFIWRIWFOGEA-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCC[NH2+]1 ZINC000662759207 413445169 /nfs/dbraw/zinc/44/51/69/413445169.db2.gz BIDPRXQBTTYYPW-ZMSDIMECSA-N 2 0 291.439 1.675 10 30 CDEERP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365697 171164442 /nfs/dbraw/zinc/16/44/42/171164442.db2.gz FRFVPEKBGCSEBL-KBPBESRZSA-N 2 0 267.417 1.224 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@H]([NH+](C)C)CC2)CCC[NH2+]1 ZINC000662794464 413512692 /nfs/dbraw/zinc/51/26/92/413512692.db2.gz PZCKLCOSDOIJDN-GOEBONIOSA-N 2 0 279.428 1.627 10 30 CDEERP C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C#CC[NH3+] ZINC000044566223 175208273 /nfs/dbraw/zinc/20/82/73/175208273.db2.gz FWYUTQKLOFFKTO-HNNXBMFYSA-N 2 0 285.391 1.211 10 30 CDEERP CC(C)N[C@](C)(C#N)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045182211 175325846 /nfs/dbraw/zinc/32/58/46/175325846.db2.gz BTELJMQURYGEIY-INIZCTEOSA-N 2 0 280.460 1.930 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001666120023 1173111407 /nfs/dbraw/zinc/11/14/07/1173111407.db2.gz LRKDBQOMIHKRDJ-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001666619619 1173162254 /nfs/dbraw/zinc/16/22/54/1173162254.db2.gz HFHNPHKWZJDRPQ-AWEZNQCLSA-N 2 0 283.460 1.882 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001667008438 1173220866 /nfs/dbraw/zinc/22/08/66/1173220866.db2.gz UIICDDIQDJWYDL-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001668088832 1173367984 /nfs/dbraw/zinc/36/79/84/1173367984.db2.gz ZZNYQXQDICDVII-GOEBONIOSA-N 2 0 291.439 1.511 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001668652464 1173435320 /nfs/dbraw/zinc/43/53/20/1173435320.db2.gz QFKYWOTWUGJUOJ-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001669485483 1173555161 /nfs/dbraw/zinc/55/51/61/1173555161.db2.gz IKBRYBGZPOWELD-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001669904131 1173627941 /nfs/dbraw/zinc/62/79/41/1173627941.db2.gz GTUVNDLXQCRQEY-CQSZACIVSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001672995109 1173815944 /nfs/dbraw/zinc/81/59/44/1173815944.db2.gz UAIVBHBXHMYQSY-SHTZXODSSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001674033714 1173909457 /nfs/dbraw/zinc/90/94/57/1173909457.db2.gz KJLLVZCSNGNFSE-GJZGRUSLSA-N 2 0 293.455 1.423 10 30 CDEERP C[NH+]=C(NC1CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000262376240 330011533 /nfs/dbraw/zinc/01/15/33/330011533.db2.gz MXUQLWOHBYRWCE-UHFFFAOYSA-N 2 0 250.390 1.331 10 30 CDEERP C[C@@H]1CCC[C@](CNC(=[NH2+])N2CCO[C@H](C)C2)([NH+](C)C)C1 ZINC000262473998 330015927 /nfs/dbraw/zinc/01/59/27/330015927.db2.gz PMWCUDJWCRQKSJ-FMKPAKJESA-N 2 0 296.459 1.532 10 30 CDEERP C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262502094 330018138 /nfs/dbraw/zinc/01/81/38/330018138.db2.gz KSQOMBFSKYASJQ-OCCSQVGLSA-N 2 0 288.395 1.509 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001483419081 1160919294 /nfs/dbraw/zinc/91/92/94/1160919294.db2.gz BFTRUHCEZMIOFD-CQSZACIVSA-N 2 0 287.407 1.432 10 30 CDEERP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001691661438 1161442304 /nfs/dbraw/zinc/44/23/04/1161442304.db2.gz TWXPOTZECDIDSH-HOTGVXAUSA-N 2 0 293.455 1.663 10 30 CDEERP CCN[C@@](C)(C#N)C[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068616263 520130832 /nfs/dbraw/zinc/13/08/32/520130832.db2.gz HWKAEDOMWUHVBC-GOEBONIOSA-N 2 0 280.460 1.930 10 30 CDEERP C[NH+](C)C[C@H]1CCCN1Cc1cccc(C#CC[NH3+])c1 ZINC000061652298 521870313 /nfs/dbraw/zinc/87/03/13/521870313.db2.gz ZEXQXLSFQJKFCN-QGZVFWFLSA-N 2 0 271.408 1.523 10 30 CDEERP COc1ccc(C[N@@H+]2CC[C@@H](C)C2)cc1C#CC[NH3+] ZINC000049609467 524036720 /nfs/dbraw/zinc/03/67/20/524036720.db2.gz GVOCESTWBDFQLB-CYBMUJFWSA-N 2 0 258.365 1.847 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001689234609 1175124045 /nfs/dbraw/zinc/12/40/45/1175124045.db2.gz GBWZLSKIBUCIAI-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001690295521 1175430328 /nfs/dbraw/zinc/43/03/28/1175430328.db2.gz ZBDUGYLRFGSGDV-FPCVCCKLSA-N 2 0 291.439 1.367 10 30 CDEERP C#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000939453431 612968511 /nfs/dbraw/zinc/96/85/11/612968511.db2.gz HKZUUDUYFAHFOM-GOEBONIOSA-N 2 0 291.439 1.177 10 30 CDEERP N#C[C@@H]1CCC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925848079 617884532 /nfs/dbraw/zinc/88/45/32/617884532.db2.gz ZTSNHJXKOVRNNP-CVEARBPZSA-N 2 0 278.444 1.734 10 30 CDEERP C[C@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)N1CC[NH+](C)CC1 ZINC000902793607 625410232 /nfs/dbraw/zinc/41/02/32/625410232.db2.gz LCPDNQMFIXUOGK-KGLIPLIRSA-N 2 0 287.411 1.240 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000900659991 623340550 /nfs/dbraw/zinc/34/05/50/623340550.db2.gz BXYOZKCPOJTCOW-CQSZACIVSA-N 2 0 265.401 1.047 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000900994103 623810287 /nfs/dbraw/zinc/81/02/87/623810287.db2.gz FZQNWKAKIUEFBZ-STQMWFEESA-N 2 0 265.401 1.236 10 30 CDEERP C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC000905449026 626810722 /nfs/dbraw/zinc/81/07/22/626810722.db2.gz CMPIJTDUXBBRTN-DLBZAZTESA-N 2 0 292.423 1.396 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000912027821 629722727 /nfs/dbraw/zinc/72/27/27/629722727.db2.gz VSQNNCOTEQSRDT-AWEZNQCLSA-N 2 0 281.444 1.683 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CCC([NH+]3CCC3)CC2)CC1 ZINC000912881433 630263892 /nfs/dbraw/zinc/26/38/92/630263892.db2.gz XWRNHJOXGJYJNT-UHFFFAOYSA-N 2 0 289.423 1.028 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000913159418 630380262 /nfs/dbraw/zinc/38/02/62/630380262.db2.gz NCYIYFBBKSQEFB-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCS[C@H](C(C)C)C1 ZINC000153780538 631869268 /nfs/dbraw/zinc/86/92/68/631869268.db2.gz DUJDIOVIIGQPMK-KBPBESRZSA-N 2 0 298.500 1.729 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)[C@H](C)CC)CC1 ZINC000916362924 631976580 /nfs/dbraw/zinc/97/65/80/631976580.db2.gz UUYBJNRYGPWCJV-CQSZACIVSA-N 2 0 294.443 1.114 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691975721 1158518651 /nfs/dbraw/zinc/51/86/51/1158518651.db2.gz KFACJQPNSFQHML-OAHLLOKOSA-N 2 0 291.439 1.132 10 30 CDEERP CC#CC[N@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001691000771 1158524466 /nfs/dbraw/zinc/52/44/66/1158524466.db2.gz RXNQYALNBMIBEB-UHFFFAOYSA-N 2 0 287.407 1.433 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001670475798 1158616111 /nfs/dbraw/zinc/61/61/11/1158616111.db2.gz ZFCWHVDXAFNYPM-FVQBIDKESA-N 2 0 293.455 1.777 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001690961412 1158499840 /nfs/dbraw/zinc/49/98/40/1158499840.db2.gz PUJMCNOQROGNSG-UHFFFAOYSA-N 2 0 299.378 1.505 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001481059936 1159507922 /nfs/dbraw/zinc/50/79/22/1159507922.db2.gz WLPPZRUJDKJYTA-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@H](F)CC)CC1 ZINC001731988710 1159554974 /nfs/dbraw/zinc/55/49/74/1159554974.db2.gz ZREJPTZTVDQUOQ-OAHLLOKOSA-N 2 0 297.418 1.128 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268062914 1159767005 /nfs/dbraw/zinc/76/70/05/1159767005.db2.gz IRZCWZGONRQHKW-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001700545412 1160696933 /nfs/dbraw/zinc/69/69/33/1160696933.db2.gz KRZKSVMDZGWZLO-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691716184 1166544895 /nfs/dbraw/zinc/54/48/95/1166544895.db2.gz BHBQBIFTZHFILL-GASCZTMLSA-N 2 0 289.423 1.123 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567915784 1169066130 /nfs/dbraw/zinc/06/61/30/1169066130.db2.gz XLSONEITMJWXIL-OAHLLOKOSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001568026079 1169122015 /nfs/dbraw/zinc/12/20/15/1169122015.db2.gz KOMJMQQUKYKNRF-DOTOQJQBSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001570359517 1170142076 /nfs/dbraw/zinc/14/20/76/1170142076.db2.gz WVNKSLMOQYRDCD-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001570825014 1170287997 /nfs/dbraw/zinc/28/79/97/1170287997.db2.gz KCFBWSXDALXZLY-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001570851504 1170300564 /nfs/dbraw/zinc/30/05/64/1170300564.db2.gz CGILZXPIRJQTLB-KBPBESRZSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001570964011 1170325288 /nfs/dbraw/zinc/32/52/88/1170325288.db2.gz BRYWHQSHKWANBR-PHZGNYQRSA-N 2 0 293.455 1.587 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001571664638 1170514579 /nfs/dbraw/zinc/51/45/79/1170514579.db2.gz PLWVHDKTSCKVRV-NRXISQOPSA-N 2 0 279.428 1.175 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001653609301 1171553949 /nfs/dbraw/zinc/55/39/49/1171553949.db2.gz ONQQARIPZDXIMC-JKSUJKDBSA-N 2 0 293.455 1.826 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](CNC(=O)CN(C)Cc2ccccc2)C1 ZINC001656241260 1171798005 /nfs/dbraw/zinc/79/80/05/1171798005.db2.gz QRQIRDFIUQEILC-QAQDUYKDSA-N 2 0 299.418 1.236 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001656241083 1171799358 /nfs/dbraw/zinc/79/93/58/1171799358.db2.gz MVXUJCLZYRGYNO-KLHDSHLOSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001661792613 1172447636 /nfs/dbraw/zinc/44/76/36/1172447636.db2.gz BVNODTFFTXEUAT-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001662325358 1172530362 /nfs/dbraw/zinc/53/03/62/1172530362.db2.gz PZWKWSJKGJYSEY-UONOGXRCSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001583315564 1172752992 /nfs/dbraw/zinc/75/29/92/1172752992.db2.gz KNLPOQAQZWKESG-OCCSQVGLSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001668117127 1173371345 /nfs/dbraw/zinc/37/13/45/1173371345.db2.gz DCMWALWCKGJQBL-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]C(C)C)CC1 ZINC001668652088 1173436426 /nfs/dbraw/zinc/43/64/26/1173436426.db2.gz HPGKBAQLOUZXST-UHFFFAOYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001668864577 1173474170 /nfs/dbraw/zinc/47/41/70/1173474170.db2.gz IHRQEURZZBQSMD-VOTSOKGWSA-N 2 0 265.401 1.309 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001674926390 1174037130 /nfs/dbraw/zinc/03/71/30/1174037130.db2.gz ZEMZKCPMSLYNMV-HIFRSBDPSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001675360206 1174106943 /nfs/dbraw/zinc/10/69/43/1174106943.db2.gz USOYJROJIOPCAG-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001675672959 1174136565 /nfs/dbraw/zinc/13/65/65/1174136565.db2.gz MSDJPBCUTDHCQX-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001676250316 1174196070 /nfs/dbraw/zinc/19/60/70/1174196070.db2.gz WOJRLQJNTIBLTH-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001690771951 1175570999 /nfs/dbraw/zinc/57/09/99/1175570999.db2.gz MGXAAQKIVWYMPM-GJZGRUSLSA-N 2 0 291.439 1.511 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001690785696 1175571752 /nfs/dbraw/zinc/57/17/52/1175571752.db2.gz XMNKGRHLOZDKDX-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001698714279 1175901653 /nfs/dbraw/zinc/90/16/53/1175901653.db2.gz FXHQXYKLTDECDJ-SHTZXODSSA-N 2 0 277.412 1.123 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001698855575 1175965071 /nfs/dbraw/zinc/96/50/71/1175965071.db2.gz HDDIAHSYZHJNRB-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001698963711 1175998169 /nfs/dbraw/zinc/99/81/69/1175998169.db2.gz VPDACCWGEVTVNJ-OAHLLOKOSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699310484 1176212371 /nfs/dbraw/zinc/21/23/71/1176212371.db2.gz YKQHDIKAHBURNC-WLMCBFPDSA-N 2 0 295.402 1.094 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC=C(C)C)CC1 ZINC001699388688 1176349890 /nfs/dbraw/zinc/34/98/90/1176349890.db2.gz VQYPDEGBMPULES-OAHLLOKOSA-N 2 0 291.439 1.392 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001699450200 1176413046 /nfs/dbraw/zinc/41/30/46/1176413046.db2.gz IWSFMPLKHIJOBU-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001699469532 1176431987 /nfs/dbraw/zinc/43/19/87/1176431987.db2.gz MEHXDQKCQIYPJG-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001699520173 1176459317 /nfs/dbraw/zinc/45/93/17/1176459317.db2.gz ABOSSLMHXCJSSW-UHFFFAOYSA-N 2 0 298.390 1.718 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001699602514 1176495955 /nfs/dbraw/zinc/49/59/55/1176495955.db2.gz MFBWUILTMDVQAB-CVEARBPZSA-N 2 0 293.455 1.777 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001699853183 1176656939 /nfs/dbraw/zinc/65/69/39/1176656939.db2.gz HYKDTRYICTYPRN-NVXWUHKLSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001700276318 1176828131 /nfs/dbraw/zinc/82/81/31/1176828131.db2.gz WSGOQOXRDZCZQU-KGLIPLIRSA-N 2 0 277.412 1.095 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001700275153 1176828470 /nfs/dbraw/zinc/82/84/70/1176828470.db2.gz CQVORSKWCBVOIL-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001700313359 1176844149 /nfs/dbraw/zinc/84/41/49/1176844149.db2.gz HZESIZIILXOWHB-KGLIPLIRSA-N 2 0 277.412 1.073 10 30 CDEERP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001700486898 1176974324 /nfs/dbraw/zinc/97/43/24/1176974324.db2.gz HAVSUSHEKMINPY-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CCC=C)CC1 ZINC001700486945 1176975361 /nfs/dbraw/zinc/97/53/61/1176975361.db2.gz HMKUCGQXOFIHCR-HNNXBMFYSA-N 2 0 291.439 1.344 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001707469810 1178064912 /nfs/dbraw/zinc/06/49/12/1178064912.db2.gz KJELFAGCQXLSLD-GASCZTMLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001713117002 1178377700 /nfs/dbraw/zinc/37/77/00/1178377700.db2.gz NUPMWLJPLJRNHX-HOTGVXAUSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001713134540 1178386783 /nfs/dbraw/zinc/38/67/83/1178386783.db2.gz PECSFTFOQRNQPY-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713329028 1178500681 /nfs/dbraw/zinc/50/06/81/1178500681.db2.gz XGRAYZVAURSVPH-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001713423235 1178554121 /nfs/dbraw/zinc/55/41/21/1178554121.db2.gz MGQQEYDZFYIFJB-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001713496002 1178607159 /nfs/dbraw/zinc/60/71/59/1178607159.db2.gz GFUSZTUURVNFQT-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713683939 1178707212 /nfs/dbraw/zinc/70/72/12/1178707212.db2.gz GDIOESDOVSFEBP-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714075709 1178961030 /nfs/dbraw/zinc/96/10/30/1178961030.db2.gz ZHBWULRQJPGJJR-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001714236836 1179038878 /nfs/dbraw/zinc/03/88/78/1179038878.db2.gz WYVPYXYXCZKXCX-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001714290335 1179069462 /nfs/dbraw/zinc/06/94/62/1179069462.db2.gz CUELHAQNEJTGOT-HOCLYGCPSA-N 2 0 287.407 1.407 10 30 CDEERP C=CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001714541388 1179197899 /nfs/dbraw/zinc/19/78/99/1179197899.db2.gz LZWSKFQCGOYEHS-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001714569658 1179227265 /nfs/dbraw/zinc/22/72/65/1179227265.db2.gz ANDSLDPCNKDTDW-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714572114 1179227982 /nfs/dbraw/zinc/22/79/82/1179227982.db2.gz KNFBUKUXVKMBKW-UHFFFAOYSA-N 2 0 275.396 1.596 10 30 CDEERP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001714873669 1179431581 /nfs/dbraw/zinc/43/15/81/1179431581.db2.gz GETJERNQGUZKNO-XHSDSOJGSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001715004348 1179502446 /nfs/dbraw/zinc/50/24/46/1179502446.db2.gz KLBAXRBHVSTYDC-RBSFLKMASA-N 2 0 279.428 1.626 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001715008028 1179506288 /nfs/dbraw/zinc/50/62/88/1179506288.db2.gz DRPFVAAUBIRVNP-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001715033664 1179518409 /nfs/dbraw/zinc/51/84/09/1179518409.db2.gz YGYCSSLWGCBVMO-MRXNPFEDSA-N 2 0 291.439 1.418 10 30 CDEERP C=C(C)CC[NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001715122197 1179558759 /nfs/dbraw/zinc/55/87/59/1179558759.db2.gz CTOUUBKFFIGCSK-KRWDZBQOSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001715500403 1179685277 /nfs/dbraw/zinc/68/52/77/1179685277.db2.gz FXVXSDMVDARNOM-OAHLLOKOSA-N 2 0 295.471 1.718 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001715591428 1179727273 /nfs/dbraw/zinc/72/72/73/1179727273.db2.gz AYBKLMHTSYJLRF-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001716798453 1180418641 /nfs/dbraw/zinc/41/86/41/1180418641.db2.gz UTFWVAUTTYWZMW-ZDUSSCGKSA-N 2 0 290.411 1.745 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001717490476 1180704474 /nfs/dbraw/zinc/70/44/74/1180704474.db2.gz NTWUXHGOKZYOCU-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001723905369 1181621712 /nfs/dbraw/zinc/62/17/12/1181621712.db2.gz FYOXGKIBVNYTOD-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001724609449 1181702895 /nfs/dbraw/zinc/70/28/95/1181702895.db2.gz XVIAUZXYLLTZBG-GJZGRUSLSA-N 2 0 279.428 1.036 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001724974779 1181812975 /nfs/dbraw/zinc/81/29/75/1181812975.db2.gz OXSCQSVKEMDGAW-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001725039579 1181831376 /nfs/dbraw/zinc/83/13/76/1181831376.db2.gz DFTBXTWEEVTCJP-OWCLPIDISA-N 2 0 293.455 1.826 10 30 CDEERP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)C[NH+]1CCCC1 ZINC001725235766 1181930519 /nfs/dbraw/zinc/93/05/19/1181930519.db2.gz VMMQOPWNRZXIMR-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001725361221 1181974040 /nfs/dbraw/zinc/97/40/40/1181974040.db2.gz SGZWMIBAGXMWOQ-SHTZXODSSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725398064 1181987801 /nfs/dbraw/zinc/98/78/01/1181987801.db2.gz KKSPRSCKWUEIND-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001725599021 1182068429 /nfs/dbraw/zinc/06/84/29/1182068429.db2.gz UKBPZTZPMABPTO-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001725694323 1182099838 /nfs/dbraw/zinc/09/98/38/1182099838.db2.gz ZCWWLUJXZFKZIQ-HZPDHXFCSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001732059157 1182745457 /nfs/dbraw/zinc/74/54/57/1182745457.db2.gz MHSNCFCNQYDCCE-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)CCC[NH+](C)C)cc1 ZINC001732319331 1182904304 /nfs/dbraw/zinc/90/43/04/1182904304.db2.gz OGPRRIFYYFILCY-UHFFFAOYSA-N 2 0 287.407 1.367 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001732359325 1182925122 /nfs/dbraw/zinc/92/51/22/1182925122.db2.gz BMKWEKZWUBZDRW-KGLIPLIRSA-N 2 0 267.417 1.246 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001732372032 1182932857 /nfs/dbraw/zinc/93/28/57/1182932857.db2.gz LIVRIPPTGOOEPV-AWEZNQCLSA-N 2 0 289.423 1.890 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCC1 ZINC001732399499 1182945090 /nfs/dbraw/zinc/94/50/90/1182945090.db2.gz IZMWLIWGFQBHFG-UHFFFAOYSA-N 2 0 267.417 1.533 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001732497103 1182989671 /nfs/dbraw/zinc/98/96/71/1182989671.db2.gz XNIGEECHCPZFIR-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001732612942 1183048049 /nfs/dbraw/zinc/04/80/49/1183048049.db2.gz LHFBXKIZLACPTA-HOCLYGCPSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001733255395 1183372905 /nfs/dbraw/zinc/37/29/05/1183372905.db2.gz BHNYBDDVQLCYKH-MRXNPFEDSA-N 2 0 295.402 1.071 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001733549378 1183463801 /nfs/dbraw/zinc/46/38/01/1183463801.db2.gz JNROYHCARHEORX-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001733606986 1183478196 /nfs/dbraw/zinc/47/81/96/1183478196.db2.gz MPJBPRJLBOXGMP-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCC1 ZINC001733721757 1183509189 /nfs/dbraw/zinc/50/91/89/1183509189.db2.gz QMGWIUDUIGDYEJ-UHFFFAOYSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001733759940 1183522472 /nfs/dbraw/zinc/52/24/72/1183522472.db2.gz IPGTXOWGJHXTOP-CABCVRRESA-N 2 0 299.434 1.823 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001733866697 1183554695 /nfs/dbraw/zinc/55/46/95/1183554695.db2.gz ZQCDVKKYVCOFLW-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733988307 1183603676 /nfs/dbraw/zinc/60/36/76/1183603676.db2.gz YCZSSTVWDXJJKQ-ZIAGYGMSSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001734040440 1183631547 /nfs/dbraw/zinc/63/15/47/1183631547.db2.gz GMGJHHYGVGNZJV-GFCCVEGCSA-N 2 0 253.390 1.093 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)CCCC[NH+](C)C ZINC001734062623 1183644785 /nfs/dbraw/zinc/64/47/85/1183644785.db2.gz TWMKJWUZHUCJKQ-AWEZNQCLSA-N 2 0 267.417 1.178 10 30 CDEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001734252108 1183704726 /nfs/dbraw/zinc/70/47/26/1183704726.db2.gz FWVLJVFKXQEZJS-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001734451848 1183782220 /nfs/dbraw/zinc/78/22/20/1183782220.db2.gz ZFSRTJFRIWJWBE-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP C#C[C@@H]([NH2+]CC1CC[NH+](CC)CC1)C1CCOCC1 ZINC001621447733 1165692586 /nfs/dbraw/zinc/69/25/86/1165692586.db2.gz DTKBIZSHVMWWBA-MRXNPFEDSA-N 2 0 264.413 1.736 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001635757720 1166618625 /nfs/dbraw/zinc/61/86/25/1166618625.db2.gz JLXYEMMQCLIQGZ-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001691743036 1166888065 /nfs/dbraw/zinc/88/80/65/1166888065.db2.gz TYGCXBBJHQGFPI-KFWWJZLASA-N 2 0 279.428 1.389 10 30 CDEERP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])NC2CCCCC2)CC1 ZINC000303870749 828827779 /nfs/dbraw/zinc/82/77/79/828827779.db2.gz BKDSMCGOWIBZEB-CQSZACIVSA-N 2 0 295.475 1.249 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000876970340 828849709 /nfs/dbraw/zinc/84/97/09/828849709.db2.gz PCCUTCMTSXYVKC-OLZOCXBDSA-N 2 0 287.835 1.693 10 30 CDEERP C[N@@H+]1C[C@@H]2C[NH+](CCCSCC#N)C[C@]2(C)C1 ZINC000933740068 829018654 /nfs/dbraw/zinc/01/86/54/829018654.db2.gz OUQFDTOZDJQGJG-OLZOCXBDSA-N 2 0 253.415 1.517 10 30 CDEERP C=CC[C@@H](C)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000878048611 829474218 /nfs/dbraw/zinc/47/42/18/829474218.db2.gz CRURAZXKIZXTMS-CQSZACIVSA-N 2 0 265.401 1.191 10 30 CDEERP C[NH+](C)C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1C[NH+](C)C ZINC000866010199 829506124 /nfs/dbraw/zinc/50/61/24/829506124.db2.gz HJIIVHLRQQWLSS-HUUCEWRRSA-N 2 0 287.411 1.129 10 30 CDEERP C[NH+]=C(NCc1ccn(C)c1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261959865 829960167 /nfs/dbraw/zinc/96/01/67/829960167.db2.gz JVKKOFZEOPOVKF-UKRRQHHQSA-N 2 0 291.443 1.419 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000876510972 830575370 /nfs/dbraw/zinc/57/53/70/830575370.db2.gz ZGJDBCAKKAXGAV-OUAUKWLOSA-N 2 0 259.781 1.185 10 30 CDEERP C[N@@H+]1CC[C@@H]([NH2+]CCNc2ccc(C#N)cn2)CC1(C)C ZINC000927169386 830612465 /nfs/dbraw/zinc/61/24/65/830612465.db2.gz YRXGTMZJYWTQJE-CQSZACIVSA-N 2 0 287.411 1.828 10 30 CDEERP C#CC[C@@H](COC)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000858335398 830683941 /nfs/dbraw/zinc/68/39/41/830683941.db2.gz SWTSFCQGRWZPBB-HNNXBMFYSA-N 2 0 284.363 1.704 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000876532936 833847206 /nfs/dbraw/zinc/84/72/06/833847206.db2.gz NCJPOSXKQFWRDQ-NWDGAFQWSA-N 2 0 273.808 1.480 10 30 CDEERP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@@H+]1CCCC[C@H]1C ZINC000261719877 832490545 /nfs/dbraw/zinc/49/05/45/832490545.db2.gz FQRLOVNUCNHXGT-MCIONIFRSA-N 2 0 282.432 1.333 10 30 CDEERP CC[N@H+](CCNC(=[NH2+])NC1CCCCC1)C(C)C ZINC000104191555 832492590 /nfs/dbraw/zinc/49/25/90/832492590.db2.gz JCIHBPDFQKMRDF-UHFFFAOYSA-N 2 0 254.422 1.954 10 30 CDEERP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000305038100 833884344 /nfs/dbraw/zinc/88/43/44/833884344.db2.gz UFFPBNSDSIQXFQ-KBPBESRZSA-N 2 0 282.432 1.048 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C)n1 ZINC000303879718 834312579 /nfs/dbraw/zinc/31/25/79/834312579.db2.gz GUBVYRYEWDEKCS-CQSZACIVSA-N 2 0 275.400 1.279 10 30 CDEERP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925654893 834806959 /nfs/dbraw/zinc/80/69/59/834806959.db2.gz HIRNSALCEFOCDF-MJBXVCDLSA-N 2 0 250.386 1.842 10 30 CDEERP CC[N@@H+]1CC[C@H](N(C)C(=O)C#CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000852869947 835386625 /nfs/dbraw/zinc/38/66/25/835386625.db2.gz HWNNHFIZTMIUDO-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001569118789 1167553235 /nfs/dbraw/zinc/55/32/35/1167553235.db2.gz GWRVZJJDOHVRMH-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001566929558 1168471438 /nfs/dbraw/zinc/47/14/38/1168471438.db2.gz DEDLCJBSFYAXSY-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567201754 1168616119 /nfs/dbraw/zinc/61/61/19/1168616119.db2.gz HNOXPXCDVGVPMV-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001272342541 912893664 /nfs/dbraw/zinc/89/36/64/912893664.db2.gz HSDWFDGLVFPMQA-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001567250752 1168639793 /nfs/dbraw/zinc/63/97/93/1168639793.db2.gz XGJGPFSIJCHUQA-BZUAXINKSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001266282875 894101513 /nfs/dbraw/zinc/10/15/13/894101513.db2.gz VLMXBUNDJYWUAL-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266361311 894566005 /nfs/dbraw/zinc/56/60/05/894566005.db2.gz KTLONAPZUSIRHK-OAHLLOKOSA-N 2 0 277.412 1.076 10 30 CDEERP C#CC[NH+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266468469 894994515 /nfs/dbraw/zinc/99/45/15/894994515.db2.gz QUVSGSABDQHJHP-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001266489220 895041890 /nfs/dbraw/zinc/04/18/90/895041890.db2.gz YVDCGWJDRRPUKK-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001266568878 895395646 /nfs/dbraw/zinc/39/56/46/895395646.db2.gz VTNAGAXYBTZPCF-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCOCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001266965509 896460489 /nfs/dbraw/zinc/46/04/89/896460489.db2.gz VIPKDHRJLQZXIF-ILXRZTDVSA-N 2 0 297.443 1.014 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001267130061 896880605 /nfs/dbraw/zinc/88/06/05/896880605.db2.gz CEDOTKDMHNXWSO-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001267302270 897524607 /nfs/dbraw/zinc/52/46/07/897524607.db2.gz ODIRYJYTAQEYJP-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001267337633 897631081 /nfs/dbraw/zinc/63/10/81/897631081.db2.gz CPIGWAQKJBXMLV-ZIAGYGMSSA-N 2 0 279.428 1.626 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001283618494 898177948 /nfs/dbraw/zinc/17/79/48/898177948.db2.gz UODXZLWDFQRMOT-KBPBESRZSA-N 2 0 267.417 1.032 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001267571899 898445927 /nfs/dbraw/zinc/44/59/27/898445927.db2.gz UQMGUTPIYIBSTI-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001481246017 899625003 /nfs/dbraw/zinc/62/50/03/899625003.db2.gz OAGIHZIJCIAHBZ-UONOGXRCSA-N 2 0 299.846 1.804 10 30 CDEERP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001267918039 899972293 /nfs/dbraw/zinc/97/22/93/899972293.db2.gz YNOXVYYFIGVJSU-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[N@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481447751 900691613 /nfs/dbraw/zinc/69/16/13/900691613.db2.gz SZBKANZYQURJIC-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH+]1CC[C@@H](CCNC(=O)CC[N@@H+](C)CCC)C1 ZINC001481455620 900725534 /nfs/dbraw/zinc/72/55/34/900725534.db2.gz BMJWPVGXHSFQDG-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001268213288 901582081 /nfs/dbraw/zinc/58/20/81/901582081.db2.gz ZLALHJSGMALPGG-OAHLLOKOSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001268245829 901658504 /nfs/dbraw/zinc/65/85/04/901658504.db2.gz TZDDATZZCOKFCE-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001268383824 901966379 /nfs/dbraw/zinc/96/63/79/901966379.db2.gz DXAOEUFVDQZQGV-CYBMUJFWSA-N 2 0 299.378 1.551 10 30 CDEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001481811615 902170720 /nfs/dbraw/zinc/17/07/20/902170720.db2.gz BVZKAIDZTQKYCZ-RBSFLKMASA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@@H]1C ZINC001481964234 902418334 /nfs/dbraw/zinc/41/83/34/902418334.db2.gz POVHPCRQSZLELA-RDJZCZTQSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001269765929 904096926 /nfs/dbraw/zinc/09/69/26/904096926.db2.gz NLYHHPVWLGFRSE-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[N@H+]1CC[C@](C)(NC(=O)CCCn2ccnc2)C1 ZINC001270665411 904911456 /nfs/dbraw/zinc/91/14/56/904911456.db2.gz PHEJDGJHWJTLNU-INIZCTEOSA-N 2 0 290.411 1.820 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)CC[NH+]1CCCCC1 ZINC001271318319 906247958 /nfs/dbraw/zinc/24/79/58/906247958.db2.gz RWFFBBUIOZDHCF-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001482538805 906955236 /nfs/dbraw/zinc/95/52/36/906955236.db2.gz FSAGMHORQXSQKT-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482860963 908430482 /nfs/dbraw/zinc/43/04/82/908430482.db2.gz QAZYAPJTSAMRPS-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482877069 908454965 /nfs/dbraw/zinc/45/49/65/908454965.db2.gz NAXKZQJEUSMIGT-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001507426101 911112949 /nfs/dbraw/zinc/11/29/49/911112949.db2.gz FVYAIQMEIXXQPA-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001483790629 915067179 /nfs/dbraw/zinc/06/71/79/915067179.db2.gz JWQJUGYFBBEWTG-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484122181 915445321 /nfs/dbraw/zinc/44/53/21/915445321.db2.gz BQQPWBDFEXRBFY-GOEBONIOSA-N 2 0 281.444 1.587 10 30 CDEERP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484176051 915491243 /nfs/dbraw/zinc/49/12/43/915491243.db2.gz ZVKJNOXQQGXJRZ-NVXWUHKLSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCC1 ZINC001484643100 915983181 /nfs/dbraw/zinc/98/31/81/915983181.db2.gz MMOPWTZLNVUVBL-UHFFFAOYSA-N 2 0 291.439 1.819 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001484725067 916085576 /nfs/dbraw/zinc/08/55/76/916085576.db2.gz XKEJWHNQBWVPSG-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001484742699 916108190 /nfs/dbraw/zinc/10/81/90/916108190.db2.gz LBUKYRCVQUNYPS-HUUCEWRRSA-N 2 0 279.428 1.130 10 30 CDEERP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485057645 916452385 /nfs/dbraw/zinc/45/23/85/916452385.db2.gz YXPGLFVGVHMBJW-BZUAXINKSA-N 2 0 293.455 1.826 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001485096327 916507262 /nfs/dbraw/zinc/50/72/62/916507262.db2.gz XIBDHTRTEGQXKN-GPANFISMSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001137534642 936361711 /nfs/dbraw/zinc/36/17/11/936361711.db2.gz FQUNJZUQDHUVIT-CQSZACIVSA-N 2 0 267.417 1.198 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001485299406 916778637 /nfs/dbraw/zinc/77/86/37/916778637.db2.gz JYVOJCFGFTZUAQ-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)C[NH+](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001485765248 917266442 /nfs/dbraw/zinc/26/64/42/917266442.db2.gz HHUNLNLSBFEMQD-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485815913 917665382 /nfs/dbraw/zinc/66/53/82/917665382.db2.gz NUFAAFBXMOJCPU-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001485815911 917665697 /nfs/dbraw/zinc/66/56/97/917665697.db2.gz NUFAAFBXMOJCPU-CVEARBPZSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001273514896 919892115 /nfs/dbraw/zinc/89/21/15/919892115.db2.gz NPSTXRLREMNBDM-MRXNPFEDSA-N 2 0 293.455 1.663 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001493240193 936621126 /nfs/dbraw/zinc/62/11/26/936621126.db2.gz PDIVGLAYHMJAHH-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001486183860 920791054 /nfs/dbraw/zinc/79/10/54/920791054.db2.gz NDXACYPUHOLQDD-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001486209917 920820982 /nfs/dbraw/zinc/82/09/82/920820982.db2.gz FEWYWLGELVTGAL-OLZOCXBDSA-N 2 0 287.835 1.565 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001568392349 1169270975 /nfs/dbraw/zinc/27/09/75/1169270975.db2.gz NRSRFSRKIDDFRC-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001488806170 926699649 /nfs/dbraw/zinc/69/96/49/926699649.db2.gz YSPIXIRDSUFOPE-YHUYYLMFSA-N 2 0 293.455 1.920 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001489350058 926879406 /nfs/dbraw/zinc/87/94/06/926879406.db2.gz NXQRWSMPQKNOSE-CABCVRRESA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH+](C)CCCNC(=O)C[N@@H+](C)C(C)C ZINC001490281470 927076411 /nfs/dbraw/zinc/07/64/11/927076411.db2.gz KJJMSCDIDHEBEX-UHFFFAOYSA-N 2 0 255.406 1.341 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001490416906 927171756 /nfs/dbraw/zinc/17/17/56/927171756.db2.gz VUWAYDIRARMGEK-OAHLLOKOSA-N 2 0 281.444 1.681 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001490741622 927315085 /nfs/dbraw/zinc/31/50/85/927315085.db2.gz JUAGCIDDEDKFIT-JKSUJKDBSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]21 ZINC001568516606 1169344538 /nfs/dbraw/zinc/34/45/38/1169344538.db2.gz ZOUOITDZJIQANF-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001274509170 931505234 /nfs/dbraw/zinc/50/52/34/931505234.db2.gz KQFQHGUBUGCWFG-LLYBFZRZSA-N 2 0 291.439 1.699 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274888454 931599541 /nfs/dbraw/zinc/59/95/41/931599541.db2.gz NBWZGJMOYDEIHV-ZNMIVQPWSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001275804100 932051149 /nfs/dbraw/zinc/05/11/49/932051149.db2.gz DRYYWZCWQCGQJB-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001275977911 932193868 /nfs/dbraw/zinc/19/38/68/932193868.db2.gz WBRFHWWEOYCQEN-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001276333804 935017452 /nfs/dbraw/zinc/01/74/52/935017452.db2.gz XBZRZHDKZDWFHM-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001568678055 1169427919 /nfs/dbraw/zinc/42/79/19/1169427919.db2.gz KBUXCRSSHZCLQI-ZDUSSCGKSA-N 2 0 267.417 1.082 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001276686886 940698380 /nfs/dbraw/zinc/69/83/80/940698380.db2.gz NWDHRLHEDGQYNG-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001279624249 942397421 /nfs/dbraw/zinc/39/74/21/942397421.db2.gz CHUHAVGUUFFEDC-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001281572954 942595703 /nfs/dbraw/zinc/59/57/03/942595703.db2.gz XSDVBDUPRZGERR-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001282338049 942691735 /nfs/dbraw/zinc/69/17/35/942691735.db2.gz VFDYWNBSCXIFBJ-AWEZNQCLSA-N 2 0 279.428 1.036 10 30 CDEERP C=CC[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001283260552 942868316 /nfs/dbraw/zinc/86/83/16/942868316.db2.gz OCORGDZRRNTXSF-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001264376238 944120464 /nfs/dbraw/zinc/12/04/64/944120464.db2.gz FKDSOQYNJIROBJ-CABCVRRESA-N 2 0 281.444 1.826 10 30 CDEERP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265702743 944475196 /nfs/dbraw/zinc/47/51/96/944475196.db2.gz HJIYSLFMOUJTCO-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001479809857 971431146 /nfs/dbraw/zinc/43/11/46/971431146.db2.gz LNDSJWQABMMUMU-CQSZACIVSA-N 2 0 267.417 1.034 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001479971039 971518251 /nfs/dbraw/zinc/51/82/51/971518251.db2.gz ZSGIOHNXZDZSNI-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001480174689 971614477 /nfs/dbraw/zinc/61/44/77/971614477.db2.gz YEWKLTVRPHMEJH-RBSFLKMASA-N 2 0 279.428 1.674 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001480479851 971748251 /nfs/dbraw/zinc/74/82/51/971748251.db2.gz NIADPYBPTPKRNI-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480734625 971856657 /nfs/dbraw/zinc/85/66/57/971856657.db2.gz JCPBTUMYUJMPPN-MRXNPFEDSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001480791282 971880593 /nfs/dbraw/zinc/88/05/93/971880593.db2.gz VNMGWXUGPVLSMV-ZIAGYGMSSA-N 2 0 267.417 1.080 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001480812818 971891090 /nfs/dbraw/zinc/89/10/90/971891090.db2.gz CVFVZPCJQOTWPS-OAHLLOKOSA-N 2 0 281.444 1.923 10 30 CDEERP C=CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001493083573 971941281 /nfs/dbraw/zinc/94/12/81/971941281.db2.gz JQJJRWIPVHEBAX-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001325597228 953977902 /nfs/dbraw/zinc/97/79/02/953977902.db2.gz CBOSALXAZCCATN-GJZGRUSLSA-N 2 0 281.444 1.587 10 30 CDEERP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001493206886 971984066 /nfs/dbraw/zinc/98/40/66/971984066.db2.gz KKJNVVLRVSXRMM-ZIAGYGMSSA-N 2 0 285.407 1.290 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001327147055 954734649 /nfs/dbraw/zinc/73/46/49/954734649.db2.gz LWZLSSLVVJLBGO-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001491674421 955383473 /nfs/dbraw/zinc/38/34/73/955383473.db2.gz OKUJCWJRIZAJBF-CABCVRRESA-N 2 0 297.443 1.015 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001421791265 955547554 /nfs/dbraw/zinc/54/75/54/955547554.db2.gz KPQBJAWQDUBZFM-ZDUSSCGKSA-N 2 0 299.846 1.709 10 30 CDEERP C=CCCC[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001328939797 955565402 /nfs/dbraw/zinc/56/54/02/955565402.db2.gz AFXZJQOJRQXVPL-QQFBHYJXSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001329084395 955674184 /nfs/dbraw/zinc/67/41/84/955674184.db2.gz DSXBIOCUSAIUGI-QWHCGFSZSA-N 2 0 299.378 1.550 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001329130076 955703777 /nfs/dbraw/zinc/70/37/77/955703777.db2.gz XZVABKHCDYTQRC-OLZOCXBDSA-N 2 0 269.433 1.633 10 30 CDEERP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001317221896 955928376 /nfs/dbraw/zinc/92/83/76/955928376.db2.gz SADJDXBUFDPZJX-QQFBHYJXSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001329515257 955960666 /nfs/dbraw/zinc/96/06/66/955960666.db2.gz LNYVIYQKMDLALP-KKUMJFAQSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+][C@H](CCN(C)C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001329749383 956096502 /nfs/dbraw/zinc/09/65/02/956096502.db2.gz GVMFXQDAXREAOL-MRXNPFEDSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001329765676 956105574 /nfs/dbraw/zinc/10/55/74/956105574.db2.gz QIUPHAZXYIWODZ-HZPDHXFCSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001329846270 956139618 /nfs/dbraw/zinc/13/96/18/956139618.db2.gz RJLJOCHHVUAAPX-UHFFFAOYSA-N 2 0 281.444 1.923 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001330054438 956254893 /nfs/dbraw/zinc/25/48/93/956254893.db2.gz OUDQTRIDRAXGBS-ZDUSSCGKSA-N 2 0 281.444 1.587 10 30 CDEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001330069998 956261243 /nfs/dbraw/zinc/26/12/43/956261243.db2.gz IFGXXXDVESCUGM-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH+]1CC([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001330084080 956266588 /nfs/dbraw/zinc/26/65/88/956266588.db2.gz COVRPWBIFOVTED-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494173763 972193083 /nfs/dbraw/zinc/19/30/83/972193083.db2.gz WTHCRSGNNCTGTP-HZPDHXFCSA-N 2 0 295.471 1.929 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001330857850 956667875 /nfs/dbraw/zinc/66/78/75/956667875.db2.gz IRARMPWONFFXKZ-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001331293158 956949550 /nfs/dbraw/zinc/94/95/50/956949550.db2.gz AQAUNMLMFREAOL-CABCVRRESA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001331559979 957138519 /nfs/dbraw/zinc/13/85/19/957138519.db2.gz IBMGFYNSMVNPLZ-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001316987764 957183017 /nfs/dbraw/zinc/18/30/17/957183017.db2.gz NKLYSBISVWUNEW-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001331930324 957343770 /nfs/dbraw/zinc/34/37/70/957343770.db2.gz WHNPDTBCOXYTED-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001331944610 957354523 /nfs/dbraw/zinc/35/45/23/957354523.db2.gz SAOCXEURFJGODF-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001317259853 957385596 /nfs/dbraw/zinc/38/55/96/957385596.db2.gz XRZSDNHQNORXQA-CQSZACIVSA-N 2 0 293.455 1.757 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001317266614 957391451 /nfs/dbraw/zinc/39/14/51/957391451.db2.gz SSMIFXZRRRLDMK-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317304802 957414906 /nfs/dbraw/zinc/41/49/06/957414906.db2.gz LGNWYCASSYWIRN-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001317308481 957415852 /nfs/dbraw/zinc/41/58/52/957415852.db2.gz GFIXZPLXNRZFGI-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCC)C2)CC1 ZINC001317346222 957431879 /nfs/dbraw/zinc/43/18/79/957431879.db2.gz QNWUAHPAPAIGQA-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001317507646 957518811 /nfs/dbraw/zinc/51/88/11/957518811.db2.gz DFDQLLFOFJICCK-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001317535693 957535059 /nfs/dbraw/zinc/53/50/59/957535059.db2.gz KARCXDRHCFFUMG-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C#CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001317561572 957556870 /nfs/dbraw/zinc/55/68/70/957556870.db2.gz MXMCMIDAZLUZQM-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317587448 957584680 /nfs/dbraw/zinc/58/46/80/957584680.db2.gz KLRDNWJXRWZBSN-HNNXBMFYSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001317800075 957669077 /nfs/dbraw/zinc/66/90/77/957669077.db2.gz DYSPLMQEXROOJH-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001317840267 957689530 /nfs/dbraw/zinc/68/95/30/957689530.db2.gz PGTRDPRHPKTPKT-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001318564142 958174503 /nfs/dbraw/zinc/17/45/03/958174503.db2.gz YELPTPNRVGLNKR-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001319473011 958583865 /nfs/dbraw/zinc/58/38/65/958583865.db2.gz NDZHANUQBZORCN-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001320463993 959188441 /nfs/dbraw/zinc/18/84/41/959188441.db2.gz LVOKUZFVRJLAAQ-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001321107619 959598627 /nfs/dbraw/zinc/59/86/27/959598627.db2.gz OYZUMVLNZINCRP-GWJCSSMESA-N 2 0 253.390 1.021 10 30 CDEERP C=CCCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001495236695 972454416 /nfs/dbraw/zinc/45/44/16/972454416.db2.gz YHPYUCLGPDRBAH-RDJZCZTQSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001321905848 960012007 /nfs/dbraw/zinc/01/20/07/960012007.db2.gz ACIRZHLWWWUPOG-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001371359807 972486329 /nfs/dbraw/zinc/48/63/29/972486329.db2.gz AXEHNJGLEQBZGV-JQWIXIFHSA-N 2 0 273.808 1.175 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1CC ZINC001323158862 960489206 /nfs/dbraw/zinc/48/92/06/960489206.db2.gz JVEZOTXRKHQHSF-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001324080479 961154354 /nfs/dbraw/zinc/15/43/54/961154354.db2.gz IZWHUVOUTHCPCK-HOCLYGCPSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001324088154 961158006 /nfs/dbraw/zinc/15/80/06/961158006.db2.gz KWCKHLPCXFRKLK-GJZGRUSLSA-N 2 0 289.423 1.075 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001324082147 961158930 /nfs/dbraw/zinc/15/89/30/961158930.db2.gz REGQCOKQNLAKQZ-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001324225859 961246982 /nfs/dbraw/zinc/24/69/82/961246982.db2.gz NKMZISGLBYOBIP-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001444710710 965931563 /nfs/dbraw/zinc/93/15/63/965931563.db2.gz POYUGGFYBHHSIC-VXGBXAGGSA-N 2 0 275.824 1.516 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001544454095 967361118 /nfs/dbraw/zinc/36/11/18/967361118.db2.gz ASPVZKIBDMAKBA-KBPBESRZSA-N 2 0 267.417 1.435 10 30 CDEERP CCNC(NCC1CC[NH+](C2CC2)CC1)=[NH+]CC ZINC000849022956 969411499 /nfs/dbraw/zinc/41/14/99/969411499.db2.gz XAELPSGBWDVPDX-UHFFFAOYSA-N 2 0 252.406 1.436 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC001356620510 969443662 /nfs/dbraw/zinc/44/36/62/969443662.db2.gz DMDLZCZSFISMGW-AWEZNQCLSA-N 2 0 294.443 1.406 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC001463989717 969763135 /nfs/dbraw/zinc/76/31/35/969763135.db2.gz USBOPTCUUZMVGR-CYBMUJFWSA-N 2 0 281.425 1.585 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001497278731 973272073 /nfs/dbraw/zinc/27/20/73/973272073.db2.gz XZKGLBJZRVHINB-CVEARBPZSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001498491752 973948252 /nfs/dbraw/zinc/94/82/52/973948252.db2.gz RMKSYYAXSVNODD-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001498821520 974069995 /nfs/dbraw/zinc/06/99/95/974069995.db2.gz NUZDOWUFUGCEIW-UONOGXRCSA-N 2 0 267.417 1.243 10 30 CDEERP C#CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001500267205 974412948 /nfs/dbraw/zinc/41/29/48/974412948.db2.gz AVTNNYMHXZMGBT-QGZVFWFLSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001501090505 974530725 /nfs/dbraw/zinc/53/07/25/974530725.db2.gz DPDFSARNHQDTDH-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001506613858 975190560 /nfs/dbraw/zinc/19/05/60/975190560.db2.gz HHJOQBYRMALXIX-JSGCOSHPSA-N 2 0 285.407 1.289 10 30 CDEERP C=CC[N@H+]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001506748982 975215586 /nfs/dbraw/zinc/21/55/86/975215586.db2.gz CDZDEOGQLALJHG-OLZOCXBDSA-N 2 0 267.417 1.339 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001507326726 975417064 /nfs/dbraw/zinc/41/70/64/975417064.db2.gz WAFDTSOCWFEZCA-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001378770354 975486659 /nfs/dbraw/zinc/48/66/59/975486659.db2.gz AYSHBKBXUPWTBZ-OCCSQVGLSA-N 2 0 299.846 1.517 10 30 CDEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001508064217 975596132 /nfs/dbraw/zinc/59/61/32/975596132.db2.gz BZPPEVUSINRGSZ-GDBMZVCRSA-N 2 0 293.455 1.423 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001405277792 975702175 /nfs/dbraw/zinc/70/21/75/975702175.db2.gz GIWYARNTJKAHPB-OLZOCXBDSA-N 2 0 287.835 1.708 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001675055251 1174071351 /nfs/dbraw/zinc/07/13/51/1174071351.db2.gz ZZWXGWKOHSSZDR-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001675903988 1174163781 /nfs/dbraw/zinc/16/37/81/1174163781.db2.gz PLVRQVCBSVADDK-HIFRSBDPSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001676872700 1174285668 /nfs/dbraw/zinc/28/56/68/1174285668.db2.gz KZALGXXNQLYUOG-CABCVRRESA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001569987194 1170054421 /nfs/dbraw/zinc/05/44/21/1170054421.db2.gz OFBSXAWBSFZOJM-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001570445572 1170159408 /nfs/dbraw/zinc/15/94/08/1170159408.db2.gz NPXFQTYWESHIGC-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001570445573 1170160277 /nfs/dbraw/zinc/16/02/77/1170160277.db2.gz NPXFQTYWESHIGC-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001570702721 1170240787 /nfs/dbraw/zinc/24/07/87/1170240787.db2.gz XLKYZWRACMHMDG-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001571503795 1170456573 /nfs/dbraw/zinc/45/65/73/1170456573.db2.gz WCKVDZJOFDYGBT-SQWLQELKSA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001571512367 1170458516 /nfs/dbraw/zinc/45/85/16/1170458516.db2.gz FOEHHVIBYDPXDP-OWCLPIDISA-N 2 0 293.455 1.729 10 30 CDEERP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594435828 342899261 /nfs/dbraw/zinc/89/92/61/342899261.db2.gz ADBNUSXNMGNWAZ-KGLIPLIRSA-N 2 0 280.416 1.388 10 30 CDEERP CC(C)C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+](C)C ZINC000594441067 342907548 /nfs/dbraw/zinc/90/75/48/342907548.db2.gz MDEUNQLHFRYUHH-ZIAGYGMSSA-N 2 0 282.432 1.490 10 30 CDEERP CC(C)[N@@H+]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594448985 342909289 /nfs/dbraw/zinc/90/92/89/342909289.db2.gz AADCFKLJWHAFPS-CQSZACIVSA-N 2 0 280.416 1.340 10 30 CDEERP CO[C@H]1CN(Cc2ccc(C)c(C#N)c2)[C@@](C)(C[NH3+])C1 ZINC000600885093 349889068 /nfs/dbraw/zinc/88/90/68/349889068.db2.gz KVJXRBQPJMLPNQ-HZPDHXFCSA-N 2 0 273.380 1.805 10 30 CDEERP C=CCNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637872057 366681565 /nfs/dbraw/zinc/68/15/65/366681565.db2.gz UKDMUPSODFVWGX-UHFFFAOYSA-N 2 0 287.407 1.672 10 30 CDEERP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001661555065 1172405476 /nfs/dbraw/zinc/40/54/76/1172405476.db2.gz IMDNHXSGSZBPNA-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001662424092 1172548658 /nfs/dbraw/zinc/54/86/58/1172548658.db2.gz ITHIZLGQIJJDNP-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001662686017 1172580854 /nfs/dbraw/zinc/58/08/54/1172580854.db2.gz UWNBAZGSCSNFPA-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001663537032 1172718595 /nfs/dbraw/zinc/71/85/95/1172718595.db2.gz JDVCKTMXOPPLEG-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001663689063 1172746338 /nfs/dbraw/zinc/74/63/38/1172746338.db2.gz YBKMQDHLOFBHJX-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C#N)o2)CC1 ZINC000121103252 147357782 /nfs/dbraw/zinc/35/77/82/147357782.db2.gz HCUJVFSQZHIWGZ-ZDUSSCGKSA-N 2 0 291.395 1.676 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001664468054 1172856718 /nfs/dbraw/zinc/85/67/18/1172856718.db2.gz SNJFEAOVBPUEHF-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662690861 413317542 /nfs/dbraw/zinc/31/75/42/413317542.db2.gz ONEATFQKJAEFJS-RDJZCZTQSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CCC[NH2+]1 ZINC000662783901 413491250 /nfs/dbraw/zinc/49/12/50/413491250.db2.gz PGBROXXJXWXDHU-KOLCDFICSA-N 2 0 279.306 1.081 10 30 CDEERP C=CCOCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665263680 413988759 /nfs/dbraw/zinc/98/87/59/413988759.db2.gz RRGMTSMEXSYQPJ-SOUVJXGZSA-N 2 0 268.401 1.326 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001665810227 1173065267 /nfs/dbraw/zinc/06/52/67/1173065267.db2.gz RCMUHRMFVXHPKU-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP [NH3+]CC#Cc1ccsc1C[N@@H+]1CCC[C@H](O)C1 ZINC000043683966 175091655 /nfs/dbraw/zinc/09/16/55/175091655.db2.gz OYONMELCOHOZOX-LBPRGKRZSA-N 2 0 250.367 1.015 10 30 CDEERP C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C#CC[NH3+])s1 ZINC000044566235 175208237 /nfs/dbraw/zinc/20/82/37/175208237.db2.gz HTANEZXLZPLRGL-LBPRGKRZSA-N 2 0 291.420 1.272 10 30 CDEERP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662291934 423921107 /nfs/dbraw/zinc/92/11/07/423921107.db2.gz ATGPHWHNLGPFKI-HOTGVXAUSA-N 2 0 291.439 1.485 10 30 CDEERP C=CC[C@]1(C(=O)Nc2ccn(CC[NH+](C)C)n2)CCC[NH2+]1 ZINC000662704905 424348392 /nfs/dbraw/zinc/34/83/92/424348392.db2.gz LQXXJOLJIOBOIL-OAHLLOKOSA-N 2 0 291.399 1.082 10 30 CDEERP C=CC[C@]1(C(=O)NCC2(C)CC[NH2+]CC2)CCC[NH2+]1 ZINC000662763770 424421609 /nfs/dbraw/zinc/42/16/09/424421609.db2.gz DBYFGBGVXRXYKT-OAHLLOKOSA-N 2 0 265.401 1.191 10 30 CDEERP CC#CC[N@H+](C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001667421262 1173264619 /nfs/dbraw/zinc/26/46/19/1173264619.db2.gz OGBSUNLPDNWXNG-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001667545952 1173285626 /nfs/dbraw/zinc/28/56/26/1173285626.db2.gz PGFBWMXQBMQKHD-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001667764496 1173323404 /nfs/dbraw/zinc/32/34/04/1173323404.db2.gz QHUQGBZKSLRGNG-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001669559664 1173569894 /nfs/dbraw/zinc/56/98/94/1173569894.db2.gz YDQBVWCUGHMUQX-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001669581073 1173572145 /nfs/dbraw/zinc/57/21/45/1173572145.db2.gz XNMWYQYNKZNOML-ZFWWWQNUSA-N 2 0 279.428 1.674 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001672531587 1173782498 /nfs/dbraw/zinc/78/24/98/1173782498.db2.gz XATBSVGWLPZCFG-LSDHHAIUSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH2+]C1(CC)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001673617284 1173871949 /nfs/dbraw/zinc/87/19/49/1173871949.db2.gz AKJMRIRNHUGCOV-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP CCC[NH+]1CCC(NC(N[C@H]2CC2(C)C)=[NH+]C)CC1 ZINC000263118126 330044622 /nfs/dbraw/zinc/04/46/22/330044622.db2.gz GGRZOYUVAMOOGV-ZDUSSCGKSA-N 2 0 266.433 1.824 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001690929650 1175614340 /nfs/dbraw/zinc/61/43/40/1175614340.db2.gz FCBBAXQZIQWWRN-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCCSCC1 ZINC000049609939 523514873 /nfs/dbraw/zinc/51/48/73/523514873.db2.gz CPPKDOGHWIFNOK-UHFFFAOYSA-N 2 0 290.432 1.944 10 30 CDEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001689259828 1175130888 /nfs/dbraw/zinc/13/08/88/1175130888.db2.gz PGNSPBADJUDELY-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001689908917 1175301337 /nfs/dbraw/zinc/30/13/37/1175301337.db2.gz IWCIWOCEHGMLAZ-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001690018552 1175347470 /nfs/dbraw/zinc/34/74/70/1175347470.db2.gz JJCZSZAVBFNEOD-INIZCTEOSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001690302009 1175431922 /nfs/dbraw/zinc/43/19/22/1175431922.db2.gz SJTYVWHFXGNYGH-BZUAXINKSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941157723 613743428 /nfs/dbraw/zinc/74/34/28/613743428.db2.gz FSCZWXIKVJGPHX-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000900364109 622899979 /nfs/dbraw/zinc/89/99/79/622899979.db2.gz LQYHTTJYVJNLKQ-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000900664324 623344100 /nfs/dbraw/zinc/34/41/00/623344100.db2.gz JDXUEGUFIYUMDZ-AWEZNQCLSA-N 2 0 265.401 1.189 10 30 CDEERP C=CC[C@H](C)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903494353 626011325 /nfs/dbraw/zinc/01/13/25/626011325.db2.gz DJKIFLXASNDELY-FMSGJZPZSA-N 2 0 252.358 1.163 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000912065674 629747743 /nfs/dbraw/zinc/74/77/43/629747743.db2.gz MQEKAIZKKRSJIX-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP CNC(NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)=[NH+]C ZINC000153556456 631696880 /nfs/dbraw/zinc/69/68/80/631696880.db2.gz NBAHOOATWJWPLG-INIZCTEOSA-N 2 0 274.412 1.836 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001724742407 1158624305 /nfs/dbraw/zinc/62/43/05/1158624305.db2.gz AACAQRHXNCKMBL-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001266596354 1158648209 /nfs/dbraw/zinc/64/82/09/1158648209.db2.gz BHGCXTGQAZSQDL-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266987933 1159070473 /nfs/dbraw/zinc/07/04/73/1159070473.db2.gz AWZHSZFIHUOCLB-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001266410035 1158534456 /nfs/dbraw/zinc/53/44/56/1158534456.db2.gz WXUCBRVDQUXARP-JKSUJKDBSA-N 2 0 291.439 1.367 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266789922 1158829733 /nfs/dbraw/zinc/82/97/33/1158829733.db2.gz AAACAVSLKLWPGS-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001691052512 1158842273 /nfs/dbraw/zinc/84/22/73/1158842273.db2.gz SGLVBPDAGVAXGO-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268751176 1160013835 /nfs/dbraw/zinc/01/38/35/1160013835.db2.gz RRKJKYAQJUDELE-CQSZACIVSA-N 2 0 289.423 1.984 10 30 CDEERP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CC=C)CC1 ZINC001270363180 1160105472 /nfs/dbraw/zinc/10/54/72/1160105472.db2.gz ADBFBOSAVSTYAS-UHFFFAOYSA-N 2 0 291.439 1.439 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001670812014 1160196631 /nfs/dbraw/zinc/19/66/31/1160196631.db2.gz MHEWPEZZOUEPTE-UHFFFAOYSA-N 2 0 282.347 1.128 10 30 CDEERP C#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001566497902 1168310012 /nfs/dbraw/zinc/31/00/12/1168310012.db2.gz LLQNQAOHNPREEN-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001566952222 1168478295 /nfs/dbraw/zinc/47/82/95/1168478295.db2.gz ANKXHQIRCGCYIH-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001568153001 1169150529 /nfs/dbraw/zinc/15/05/29/1169150529.db2.gz DGFDJKOWLOQOIM-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CCC=C)CC1 ZINC001568969791 1169567751 /nfs/dbraw/zinc/56/77/51/1169567751.db2.gz PRFAHMSOQHHSSW-SREVYHEPSA-N 2 0 289.423 1.170 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001570540226 1170183613 /nfs/dbraw/zinc/18/36/13/1170183613.db2.gz MGNALFNKNRRFAJ-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCC=C)CC1 ZINC001570654066 1170223957 /nfs/dbraw/zinc/22/39/57/1170223957.db2.gz ZNIYOTHMKOPJKX-LSDHHAIUSA-N 2 0 291.439 1.391 10 30 CDEERP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001570815674 1170286529 /nfs/dbraw/zinc/28/65/29/1170286529.db2.gz IBHFUDVEKXLUEE-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001571399176 1170411062 /nfs/dbraw/zinc/41/10/62/1170411062.db2.gz LZMMCNOMJKJGST-CQSZACIVSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001661843035 1172454059 /nfs/dbraw/zinc/45/40/59/1172454059.db2.gz YTICFUHPMMKZEL-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001662695439 1172582400 /nfs/dbraw/zinc/58/24/00/1172582400.db2.gz MQSRUXSQDUJFDF-MRXNPFEDSA-N 2 0 299.418 1.433 10 30 CDEERP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001664893696 1172923181 /nfs/dbraw/zinc/92/31/81/1172923181.db2.gz FLJJKZWCFKWRMY-OAHLLOKOSA-N 2 0 279.428 1.130 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC001586127644 1172933296 /nfs/dbraw/zinc/93/32/96/1172933296.db2.gz DSKJBFFJVWZNJQ-UHFFFAOYSA-N 2 0 281.444 1.877 10 30 CDEERP C=CCC[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001665301418 1172977651 /nfs/dbraw/zinc/97/76/51/1172977651.db2.gz YBLGDXGSYXDGBA-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001666673173 1173169649 /nfs/dbraw/zinc/16/96/49/1173169649.db2.gz NKTRHJXYEBKDHU-HUUCEWRRSA-N 2 0 279.428 1.082 10 30 CDEERP C=CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001667575127 1173291024 /nfs/dbraw/zinc/29/10/24/1173291024.db2.gz RIQKEJVQYKERMG-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCCC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001669021362 1173494920 /nfs/dbraw/zinc/49/49/20/1173494920.db2.gz WFVZELDVECIYHM-SREVYHEPSA-N 2 0 279.428 1.556 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001669473976 1173554069 /nfs/dbraw/zinc/55/40/69/1173554069.db2.gz AYRWHEYMHXTRMN-OAHLLOKOSA-N 2 0 281.444 1.923 10 30 CDEERP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](C(C)C)CC1 ZINC001671508141 1173685822 /nfs/dbraw/zinc/68/58/22/1173685822.db2.gz OBPSICCEQXJWOT-UHFFFAOYSA-N 2 0 293.455 1.661 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001690433399 1175470605 /nfs/dbraw/zinc/47/06/05/1175470605.db2.gz FBNNAZVKANMCGC-HNNXBMFYSA-N 2 0 279.428 1.487 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001698860761 1175967913 /nfs/dbraw/zinc/96/79/13/1175967913.db2.gz KSDMJUKIZVEAMM-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001699602515 1176495062 /nfs/dbraw/zinc/49/50/62/1176495062.db2.gz MFBWUILTMDVQAB-HOTGVXAUSA-N 2 0 293.455 1.777 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001699973191 1176704025 /nfs/dbraw/zinc/70/40/25/1176704025.db2.gz QTAWEUXUVBOZAJ-GJZGRUSLSA-N 2 0 281.444 1.588 10 30 CDEERP C=CCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001700204414 1176797474 /nfs/dbraw/zinc/79/74/74/1176797474.db2.gz XLQCJMBCDNRUHC-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001700286605 1176832252 /nfs/dbraw/zinc/83/22/52/1176832252.db2.gz WNVRJLRQNTUEIQ-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001700520776 1176993156 /nfs/dbraw/zinc/99/31/56/1176993156.db2.gz PXGUPNHWYGXLDA-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001700646099 1177055512 /nfs/dbraw/zinc/05/55/12/1177055512.db2.gz SGPXDVNYMCJJIU-KLHDSHLOSA-N 2 0 291.439 1.367 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001700728673 1177098261 /nfs/dbraw/zinc/09/82/61/1177098261.db2.gz XGNNHEFJEFGTQD-OAHLLOKOSA-N 2 0 291.439 1.627 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001700920838 1177196440 /nfs/dbraw/zinc/19/64/40/1177196440.db2.gz BSEHDDGJHARWLT-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001700989107 1177228386 /nfs/dbraw/zinc/22/83/86/1177228386.db2.gz WNLOFPXWTJOMQP-CQSZACIVSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH+]1CCC(C2(NC(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001701032323 1177247767 /nfs/dbraw/zinc/24/77/67/1177247767.db2.gz URVOYBZNAGPVRM-OAHLLOKOSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001713293872 1178471214 /nfs/dbraw/zinc/47/12/14/1178471214.db2.gz SNDCPQUBZFDFFB-UHFFFAOYSA-N 2 0 279.428 1.367 10 30 CDEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713396152 1178534616 /nfs/dbraw/zinc/53/46/16/1178534616.db2.gz WIBAVFDZEJESQA-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713542051 1178634986 /nfs/dbraw/zinc/63/49/86/1178634986.db2.gz PTIWQTCGJLEOGT-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001713634161 1178690374 /nfs/dbraw/zinc/69/03/74/1178690374.db2.gz JSCCSBZJETVZHG-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001713925176 1178851510 /nfs/dbraw/zinc/85/15/10/1178851510.db2.gz KYLXWVOLWSIOSG-HNNXBMFYSA-N 2 0 289.423 1.076 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713964716 1178895514 /nfs/dbraw/zinc/89/55/14/1178895514.db2.gz JCVZFWJQFUFZAJ-IHRRRGAJSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714235569 1179039046 /nfs/dbraw/zinc/03/90/46/1179039046.db2.gz KUABUCLPPWMING-GJZGRUSLSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001715387397 1179654221 /nfs/dbraw/zinc/65/42/21/1179654221.db2.gz AWQVILDKPRQFKN-INIZCTEOSA-N 2 0 293.455 1.472 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001715504235 1179686355 /nfs/dbraw/zinc/68/63/55/1179686355.db2.gz OHGBZZGHGGKISJ-CABCVRRESA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001715563659 1179718010 /nfs/dbraw/zinc/71/80/10/1179718010.db2.gz QJPQYMUIOZSCKG-HUUCEWRRSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001715684211 1179763458 /nfs/dbraw/zinc/76/34/58/1179763458.db2.gz LAINLOMBLFIFPF-CQSZACIVSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715981117 1179961659 /nfs/dbraw/zinc/96/16/59/1179961659.db2.gz LLCGCDUKJHCBHZ-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001716146364 1180071090 /nfs/dbraw/zinc/07/10/90/1180071090.db2.gz ZNKXVZYSGCNSJE-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001716296971 1180146521 /nfs/dbraw/zinc/14/65/21/1180146521.db2.gz SRLBBGUYYZVCTH-PRQMKSPXSA-N 2 0 279.428 1.555 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001716419320 1180197053 /nfs/dbraw/zinc/19/70/53/1180197053.db2.gz ZKRXCAMJJKXXDQ-GDBMZVCRSA-N 2 0 287.407 1.407 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001716520324 1180264617 /nfs/dbraw/zinc/26/46/17/1180264617.db2.gz KUVNNLMHZIBHIO-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001716693073 1180373474 /nfs/dbraw/zinc/37/34/74/1180373474.db2.gz ALJGTICNDUOLMT-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001716696616 1180375508 /nfs/dbraw/zinc/37/55/08/1180375508.db2.gz PUFLNLUKZABWPP-GJZGRUSLSA-N 2 0 291.439 1.818 10 30 CDEERP C=CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001716849015 1180438631 /nfs/dbraw/zinc/43/86/31/1180438631.db2.gz PMRBWQMRVUSBPF-DZGCQCFKSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001717393724 1180644903 /nfs/dbraw/zinc/64/49/03/1180644903.db2.gz JYMWDKFTGKOLLX-NFOMZHRRSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001717434100 1180669840 /nfs/dbraw/zinc/66/98/40/1180669840.db2.gz BJJLJIOTSBGEAI-KGLIPLIRSA-N 2 0 267.417 1.224 10 30 CDEERP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001717449967 1180677008 /nfs/dbraw/zinc/67/70/08/1180677008.db2.gz VBMUVECMZBSZQF-FHERZECASA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001717640779 1180769404 /nfs/dbraw/zinc/76/94/04/1180769404.db2.gz KAWYHDRPSXFWBH-YHUYYLMFSA-N 2 0 291.439 1.224 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001717641327 1180769911 /nfs/dbraw/zinc/76/99/11/1180769911.db2.gz FHRZFELJOATGGY-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001717642240 1180770035 /nfs/dbraw/zinc/77/00/35/1180770035.db2.gz ONJRXCHSOUFOFL-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001723193665 1181526199 /nfs/dbraw/zinc/52/61/99/1181526199.db2.gz ALQJOKOTLKDHKF-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001723376994 1181544542 /nfs/dbraw/zinc/54/45/42/1181544542.db2.gz IUQCHGNEBMCOAI-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001723863566 1181613338 /nfs/dbraw/zinc/61/33/38/1181613338.db2.gz VLPNVJJDMKUKTP-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CCCC1 ZINC001724085434 1181635121 /nfs/dbraw/zinc/63/51/21/1181635121.db2.gz QQTXHERJSSJOHE-MRXNPFEDSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001724213345 1181654938 /nfs/dbraw/zinc/65/49/38/1181654938.db2.gz FRIPHTUQQDCLBB-RDJZCZTQSA-N 2 0 291.439 1.342 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001724564033 1181694631 /nfs/dbraw/zinc/69/46/31/1181694631.db2.gz PTNVYFPJQLDYCW-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001724627367 1181706292 /nfs/dbraw/zinc/70/62/92/1181706292.db2.gz LYBJTSHOWBWALG-GASCZTMLSA-N 2 0 293.455 1.541 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCC)CC1 ZINC001725129916 1181876623 /nfs/dbraw/zinc/87/66/23/1181876623.db2.gz PNVDHYSUGHCXFU-HUUCEWRRSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001725364405 1181975082 /nfs/dbraw/zinc/97/50/82/1181975082.db2.gz PPDGAABTVZUFAF-BZUAXINKSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001725684951 1182097344 /nfs/dbraw/zinc/09/73/44/1182097344.db2.gz ZAIGGWIWSYHLET-KBPBESRZSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001731426309 1182378540 /nfs/dbraw/zinc/37/85/40/1182378540.db2.gz UVOAOKCBOUYLFB-IYBDPMFKSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001731516775 1182431980 /nfs/dbraw/zinc/43/19/80/1182431980.db2.gz ZEKDTJRRGYCXBO-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001731663975 1182508923 /nfs/dbraw/zinc/50/89/23/1182508923.db2.gz UTCYGLZTLODOHE-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001731673864 1182513313 /nfs/dbraw/zinc/51/33/13/1182513313.db2.gz WXFGRJZCGWVJAR-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001731885043 1182652123 /nfs/dbraw/zinc/65/21/23/1182652123.db2.gz DOLZWTGIDWDRIV-UHFFFAOYSA-N 2 0 265.401 1.239 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)CC[NH+](C)C ZINC001732793666 1183127216 /nfs/dbraw/zinc/12/72/16/1183127216.db2.gz WYGVQCKEGYLGGL-UHFFFAOYSA-N 2 0 261.797 1.129 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001733052566 1183265746 /nfs/dbraw/zinc/26/57/46/1183265746.db2.gz DPIJLVBGHAGJFT-CABCVRRESA-N 2 0 279.428 1.319 10 30 CDEERP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001733409280 1183424207 /nfs/dbraw/zinc/42/42/07/1183424207.db2.gz BTMJBNMZAQHFLI-DOTOQJQBSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001734003935 1183611244 /nfs/dbraw/zinc/61/12/44/1183611244.db2.gz QDJSBMFPECLVEJ-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001734579656 1183832720 /nfs/dbraw/zinc/83/27/20/1183832720.db2.gz HCEUQAQRPTYYCC-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001632863317 1166382208 /nfs/dbraw/zinc/38/22/08/1166382208.db2.gz VTXIOYBDMTZBAA-CQSZACIVSA-N 2 0 297.418 1.577 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001691720087 1166548322 /nfs/dbraw/zinc/54/83/22/1166548322.db2.gz RRELQYRXPGOEKL-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(C)C ZINC000303974042 837572660 /nfs/dbraw/zinc/57/26/60/837572660.db2.gz HMOJHVVWFOLZBV-CYBMUJFWSA-N 2 0 270.421 1.048 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000876717051 835907996 /nfs/dbraw/zinc/90/79/96/835907996.db2.gz UUGNWLUSESROTG-CYBMUJFWSA-N 2 0 287.835 1.693 10 30 CDEERP C=CC[C@]1(C(=O)Nc2cccc(OCC[NH3+])c2)CCC[NH2+]1 ZINC000852795750 836334861 /nfs/dbraw/zinc/33/48/61/836334861.db2.gz JXPMQYFSXPZPGJ-MRXNPFEDSA-N 2 0 289.379 1.661 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000876717512 836905943 /nfs/dbraw/zinc/90/59/43/836905943.db2.gz CKQYKGXCRIXWRN-NWDGAFQWSA-N 2 0 273.808 1.399 10 30 CDEERP C=CC[C@H](CO)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925627806 838765035 /nfs/dbraw/zinc/76/50/35/838765035.db2.gz ABPLQIZDZAYANB-BPUTZDHNSA-N 2 0 266.429 1.929 10 30 CDEERP [NH2+]=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC1CC1 ZINC000179712331 838836632 /nfs/dbraw/zinc/83/66/32/838836632.db2.gz AERHTDGEGSOJFL-UHFFFAOYSA-N 2 0 273.384 1.365 10 30 CDEERP CN(CCC[NH+](C)C)CC/N=C/c1cccc(O)c1O ZINC000849169892 842027052 /nfs/dbraw/zinc/02/70/52/842027052.db2.gz HZAWETPYWCHILH-FOWTUZBSSA-N 2 0 279.384 1.400 10 30 CDEERP C=CCCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001566439888 1168274145 /nfs/dbraw/zinc/27/41/45/1168274145.db2.gz SLERTAPPBGMSSK-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001566742729 1168406677 /nfs/dbraw/zinc/40/66/77/1168406677.db2.gz BMSNLCDDDCZFBN-OAHLLOKOSA-N 2 0 291.439 1.132 10 30 CDEERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC#Cc1ccccc1 ZINC001567051062 1168532601 /nfs/dbraw/zinc/53/26/01/1168532601.db2.gz MVOZORYLSAHXRC-OAHLLOKOSA-N 2 0 287.407 1.084 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001266427032 894817273 /nfs/dbraw/zinc/81/72/73/894817273.db2.gz SYDCKFWAXOCTMG-AWEZNQCLSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266544526 895297780 /nfs/dbraw/zinc/29/77/80/895297780.db2.gz CMKKRHSKIKYYJO-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266731034 895932094 /nfs/dbraw/zinc/93/20/94/895932094.db2.gz OTZJDNFWLJHELJ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267026546 896591233 /nfs/dbraw/zinc/59/12/33/896591233.db2.gz PJDIIBKQVAJPLL-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001267046958 896630138 /nfs/dbraw/zinc/63/01/38/896630138.db2.gz GLCZMVDTGQDJOO-HOTGVXAUSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001267112232 896822529 /nfs/dbraw/zinc/82/25/29/896822529.db2.gz WXCVDMHMXWABQA-CVEARBPZSA-N 2 0 293.455 1.663 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001267134694 896891546 /nfs/dbraw/zinc/89/15/46/896891546.db2.gz WTZUIHYCEAJEFQ-GFCCVEGCSA-N 2 0 286.379 1.927 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+](C)C(C)C ZINC001267181877 897033643 /nfs/dbraw/zinc/03/36/43/897033643.db2.gz PNGBMIOPCASGEU-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267456431 897932146 /nfs/dbraw/zinc/93/21/46/897932146.db2.gz XDOLKLNRMAVRET-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267735186 899445840 /nfs/dbraw/zinc/44/58/40/899445840.db2.gz OASLPRXDDDTPAT-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH+](C)CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001267752536 899592908 /nfs/dbraw/zinc/59/29/08/899592908.db2.gz MYHFDKSDSTUBEX-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001267985279 900194165 /nfs/dbraw/zinc/19/41/65/900194165.db2.gz DKSDFLLDISBNMA-QLFBSQMISA-N 2 0 281.444 1.635 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001267988515 900207738 /nfs/dbraw/zinc/20/77/38/900207738.db2.gz UJZYSXDBRKFFGA-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481489655 900911033 /nfs/dbraw/zinc/91/10/33/900911033.db2.gz WTHCRSGNNCTGTP-CVEARBPZSA-N 2 0 295.471 1.929 10 30 CDEERP C=C(C)CC[NH+]1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001481565278 901223037 /nfs/dbraw/zinc/22/30/37/901223037.db2.gz PBZSRGOGWBCDNH-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268104866 901300622 /nfs/dbraw/zinc/30/06/22/901300622.db2.gz KHAMFFJRPRMXNY-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001483756699 914528980 /nfs/dbraw/zinc/52/89/80/914528980.db2.gz IERMUQHHNQYOHC-UHFFFAOYSA-N 2 0 265.401 1.285 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C(C)C ZINC001268211822 901582370 /nfs/dbraw/zinc/58/23/70/901582370.db2.gz HZACXBGWJRAWLJ-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001268215740 901587905 /nfs/dbraw/zinc/58/79/05/901587905.db2.gz XLJATYQDQYDEOD-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001268226368 901604766 /nfs/dbraw/zinc/60/47/66/901604766.db2.gz IOTQMOCCYJWRFT-KGLIPLIRSA-N 2 0 267.417 1.245 10 30 CDEERP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001567752016 1168952547 /nfs/dbraw/zinc/95/25/47/1168952547.db2.gz BBARFFWIRYGVPI-INIZCTEOSA-N 2 0 293.455 1.685 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481754189 902018961 /nfs/dbraw/zinc/01/89/61/902018961.db2.gz JVPPTNFMDKLQCH-MRXNPFEDSA-N 2 0 291.439 1.418 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)CC1CC[NH+](C)CC1 ZINC001481854811 902228421 /nfs/dbraw/zinc/22/84/21/902228421.db2.gz HAULHQSPVASAHD-CQSZACIVSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001482007637 902467121 /nfs/dbraw/zinc/46/71/21/902467121.db2.gz YKCRRPLGBRYASI-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268665025 902927125 /nfs/dbraw/zinc/92/71/25/902927125.db2.gz YCCZCNLXNAVQMK-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001268775024 903112826 /nfs/dbraw/zinc/11/28/26/903112826.db2.gz ZYXLGUZEIBDRDE-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001270443523 904639527 /nfs/dbraw/zinc/63/95/27/904639527.db2.gz HZBHKPGBIUFXFM-JKSUJKDBSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270487379 904672687 /nfs/dbraw/zinc/67/26/87/904672687.db2.gz XAAAOZKVLOXFPM-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001482435355 905403669 /nfs/dbraw/zinc/40/36/69/905403669.db2.gz RAIYFZFRKJGESE-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001271577155 906523519 /nfs/dbraw/zinc/52/35/19/906523519.db2.gz RIFNTHOWZNZFOF-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001482875661 908452657 /nfs/dbraw/zinc/45/26/57/908452657.db2.gz XGIUQNXRPPTQJD-RYUDHWBXSA-N 2 0 275.824 1.564 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483059988 909198012 /nfs/dbraw/zinc/19/80/12/909198012.db2.gz AWCORJRRGWNMEY-GJBLVYBDSA-N 2 0 265.401 1.166 10 30 CDEERP CC#CC[N@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001506961503 909688794 /nfs/dbraw/zinc/68/87/94/909688794.db2.gz RCXRTHTWLFWPFR-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001483442101 911122297 /nfs/dbraw/zinc/12/22/97/911122297.db2.gz MPWCHRDYLVEYJX-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001483794877 915070987 /nfs/dbraw/zinc/07/09/87/915070987.db2.gz LYYTXLJTPARSIK-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001484094368 915427832 /nfs/dbraw/zinc/42/78/32/915427832.db2.gz OPJUFOGXACQZHF-NVXWUHKLSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001568179600 1169164482 /nfs/dbraw/zinc/16/44/82/1169164482.db2.gz XSZFVORTYJMQOH-LBPRGKRZSA-N 2 0 284.363 1.231 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001484724006 916082174 /nfs/dbraw/zinc/08/21/74/916082174.db2.gz MDBXEPGIJRSZRZ-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001484894289 916246917 /nfs/dbraw/zinc/24/69/17/916246917.db2.gz IDAFMOQWUPTKGN-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485057646 916455506 /nfs/dbraw/zinc/45/55/06/916455506.db2.gz YXPGLFVGVHMBJW-OWCLPIDISA-N 2 0 293.455 1.826 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001273467827 916644754 /nfs/dbraw/zinc/64/47/54/916644754.db2.gz VZDFUMKAKDDDBX-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485265361 916707583 /nfs/dbraw/zinc/70/75/83/916707583.db2.gz XDIOUPLLGHCKMU-AWEZNQCLSA-N 2 0 279.428 1.036 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001485499497 917036394 /nfs/dbraw/zinc/03/63/94/917036394.db2.gz ZGIPCMSLCHKOGX-ZFWWWQNUSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@H]2C1 ZINC001485656963 917164317 /nfs/dbraw/zinc/16/43/17/917164317.db2.gz HEKUMASHKWKJOE-JYJNAYRXSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485745663 917254301 /nfs/dbraw/zinc/25/43/01/917254301.db2.gz XLVCTZHPMLUMQK-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568273418 1169216937 /nfs/dbraw/zinc/21/69/37/1169216937.db2.gz LAILGTIGCLOHLL-MGPQQGTHSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001276400465 936627213 /nfs/dbraw/zinc/62/72/13/936627213.db2.gz ZWDYWXYOKPVTFF-UHFFFAOYSA-N 2 0 255.406 1.341 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CCCn1ccnc1 ZINC001485963932 920609609 /nfs/dbraw/zinc/60/96/09/920609609.db2.gz SZBLOGIZJCPYDY-AWEZNQCLSA-N 2 0 276.384 1.123 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001486138503 920744216 /nfs/dbraw/zinc/74/42/16/920744216.db2.gz YBOKHDRXNLJJPM-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001490698567 927306396 /nfs/dbraw/zinc/30/63/96/927306396.db2.gz HQXHZNVGEVFHIS-BPUTZDHNSA-N 2 0 291.439 1.224 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001275295620 931727186 /nfs/dbraw/zinc/72/71/86/931727186.db2.gz SPBCOLVIAFOGKQ-UHFFFAOYSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275697150 931963648 /nfs/dbraw/zinc/96/36/48/931963648.db2.gz FORJJBWTUSJMDO-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001275730930 931984224 /nfs/dbraw/zinc/98/42/24/931984224.db2.gz YKMOYZKGDGDKIC-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001276262025 932696476 /nfs/dbraw/zinc/69/64/76/932696476.db2.gz SJVTUXNPVCIOBU-HOTGVXAUSA-N 2 0 293.455 1.759 10 30 CDEERP C[C@@H](NC[C@H](O)CC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119732565 937751978 /nfs/dbraw/zinc/75/19/78/937751978.db2.gz MTSFHWPWQRVBAT-UMVBOHGHSA-N 2 0 265.401 1.504 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001122509398 937938182 /nfs/dbraw/zinc/93/81/82/937938182.db2.gz WKUMMRFHAQWDGO-HOCLYGCPSA-N 2 0 279.428 1.805 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001276712218 940826281 /nfs/dbraw/zinc/82/62/81/940826281.db2.gz RPSAAHFSSMUBSH-KRWDZBQOSA-N 2 0 299.418 1.479 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001330820598 942580595 /nfs/dbraw/zinc/58/05/95/942580595.db2.gz KDACETNBHXVVDR-RRFJBIMHSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001282627395 942733284 /nfs/dbraw/zinc/73/32/84/942733284.db2.gz MTASPEMQBUCBBQ-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001282833994 942756608 /nfs/dbraw/zinc/75/66/08/942756608.db2.gz SATDHXBSGHVVJZ-CABCVRRESA-N 2 0 293.455 1.423 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001283081034 942819190 /nfs/dbraw/zinc/81/91/90/942819190.db2.gz ZVGXUEUNWQHFPR-IHRRRGAJSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001277539562 942939332 /nfs/dbraw/zinc/93/93/32/942939332.db2.gz XKDHZCHSWFIBFE-INIZCTEOSA-N 2 0 279.428 1.437 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001284247392 943130188 /nfs/dbraw/zinc/13/01/88/943130188.db2.gz YZVOGPLVIYFADE-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001316634075 943235816 /nfs/dbraw/zinc/23/58/16/943235816.db2.gz ZYYOLCGYQCMBJX-MGPQQGTHSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001264556541 944148924 /nfs/dbraw/zinc/14/89/24/944148924.db2.gz BIPUIRPSNLFOMK-OWCLPIDISA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001265365523 944361182 /nfs/dbraw/zinc/36/11/82/944361182.db2.gz AQQCPVHOQVNPMB-GJZGRUSLSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265595233 944441330 /nfs/dbraw/zinc/44/13/30/944441330.db2.gz VDUDIHZMIRGGME-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265964047 944603144 /nfs/dbraw/zinc/60/31/44/944603144.db2.gz PTGVDYNYYMFFMX-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001266042970 944651583 /nfs/dbraw/zinc/65/15/83/944651583.db2.gz RHSFSLBDDDQTSR-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266054131 944657239 /nfs/dbraw/zinc/65/72/39/944657239.db2.gz JOHPQWKJJBNOIU-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001479487185 971332912 /nfs/dbraw/zinc/33/29/12/971332912.db2.gz VIADABVTECUVGM-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001479626564 971347783 /nfs/dbraw/zinc/34/77/83/971347783.db2.gz GZDPSCMFTIOXFT-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH+]1CCC(N(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001479895559 971473167 /nfs/dbraw/zinc/47/31/67/971473167.db2.gz LZXNGDOYIUNBFU-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001569013449 1169594961 /nfs/dbraw/zinc/59/49/61/1169594961.db2.gz OFVCXLHMPPJICW-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001480208087 971628780 /nfs/dbraw/zinc/62/87/80/971628780.db2.gz SDAHRQYIJQGGKO-ZNMIVQPWSA-N 2 0 279.428 1.674 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480664736 971830238 /nfs/dbraw/zinc/83/02/38/971830238.db2.gz DPQDQXCNHRGCLU-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001480813470 971890885 /nfs/dbraw/zinc/89/08/85/971890885.db2.gz HFQXRMONQFOFGD-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001493042565 971930407 /nfs/dbraw/zinc/93/04/07/971930407.db2.gz GJHSQSQZRASGHU-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001328281660 955250114 /nfs/dbraw/zinc/25/01/14/955250114.db2.gz DONPZPIAYJZOPC-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[C@]1(C(=O)N2CCCC3(CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC001328455985 955301427 /nfs/dbraw/zinc/30/14/27/955301427.db2.gz SRXKILSDVQWBFC-QGZVFWFLSA-N 2 0 291.439 1.677 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001328718719 955438422 /nfs/dbraw/zinc/43/84/22/955438422.db2.gz LKNNNULZSQCTNP-CABCVRRESA-N 2 0 277.412 1.027 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001328732963 955449385 /nfs/dbraw/zinc/44/93/85/955449385.db2.gz LIYVPZBFHOEDBZ-OAHLLOKOSA-N 2 0 277.412 1.027 10 30 CDEERP C#CCN1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001330087435 956270558 /nfs/dbraw/zinc/27/05/58/956270558.db2.gz YZOVUAUFADWFIO-ZBFHGGJFSA-N 2 0 291.439 1.177 10 30 CDEERP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001330475093 956444683 /nfs/dbraw/zinc/44/46/83/956444683.db2.gz LXNPJVVKZBEFPE-ARFHVFGLSA-N 2 0 293.455 1.729 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001366054822 956535179 /nfs/dbraw/zinc/53/51/79/956535179.db2.gz AZZDMIQHHBCGBJ-ZDUSSCGKSA-N 2 0 297.830 1.319 10 30 CDEERP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001494206596 972198930 /nfs/dbraw/zinc/19/89/30/972198930.db2.gz YXRFIJKASCXETJ-INIZCTEOSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001317059760 956945069 /nfs/dbraw/zinc/94/50/69/956945069.db2.gz YRKGJSKAJKDSLF-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001316892639 957099801 /nfs/dbraw/zinc/09/98/01/957099801.db2.gz QYCNJZUBQHDGBM-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001331492864 957100745 /nfs/dbraw/zinc/10/07/45/957100745.db2.gz ZRPKUKHDBOGGBR-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001317078332 957254669 /nfs/dbraw/zinc/25/46/69/957254669.db2.gz PBQNORLSCLSBIJ-RBSFLKMASA-N 2 0 277.412 1.121 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317157108 957311043 /nfs/dbraw/zinc/31/10/43/957311043.db2.gz FHBSUMXMOZJTLQ-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001332205577 957477105 /nfs/dbraw/zinc/47/71/05/957477105.db2.gz KVCGXHYVWRAASI-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317491583 957509523 /nfs/dbraw/zinc/50/95/23/957509523.db2.gz BLWCSVUCKKDPJG-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001317524741 957528953 /nfs/dbraw/zinc/52/89/53/957528953.db2.gz BMHYJTPRFUMMAK-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001317648339 957621041 /nfs/dbraw/zinc/62/10/41/957621041.db2.gz SNDNGEIWMGYSLG-INIZCTEOSA-N 2 0 289.423 1.913 10 30 CDEERP C#CC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001317882495 957706812 /nfs/dbraw/zinc/70/68/12/957706812.db2.gz PHCWMUQJTOTILQ-UHFFFAOYSA-N 2 0 279.428 1.132 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001318482646 958127953 /nfs/dbraw/zinc/12/79/53/958127953.db2.gz LADDPZAFGSGICF-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001494843087 972321892 /nfs/dbraw/zinc/32/18/92/972321892.db2.gz WZFMULGCRQQSDY-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001319069763 958360737 /nfs/dbraw/zinc/36/07/37/958360737.db2.gz KUOFFAIXCJLETC-CVEARBPZSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001319268345 958466607 /nfs/dbraw/zinc/46/66/07/958466607.db2.gz ADFGEULZOLJSMO-KGLIPLIRSA-N 2 0 267.417 1.246 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001321083389 959582243 /nfs/dbraw/zinc/58/22/43/959582243.db2.gz IWLKYDIIWPINFV-LFAOLKIESA-N 2 0 277.412 1.146 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001321564269 959854288 /nfs/dbraw/zinc/85/42/88/959854288.db2.gz RWZNKVANJFLBIZ-GHMZBOCLSA-N 2 0 261.797 1.173 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001321756891 959933220 /nfs/dbraw/zinc/93/32/20/959933220.db2.gz TVZHGXKONYJIIU-CQSZACIVSA-N 2 0 267.417 1.533 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001321849387 959985053 /nfs/dbraw/zinc/98/50/53/959985053.db2.gz MYPJZPHZZCGXTD-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001495480122 972514499 /nfs/dbraw/zinc/51/44/99/972514499.db2.gz SADJDXBUFDPZJX-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001324286887 961285675 /nfs/dbraw/zinc/28/56/75/961285675.db2.gz VDYWQRJPOVPBFY-ZDUSSCGKSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001437313961 962798719 /nfs/dbraw/zinc/79/87/19/962798719.db2.gz LTHBHIPHWJFTCN-ZIAGYGMSSA-N 2 0 299.846 1.519 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001569504379 1169903087 /nfs/dbraw/zinc/90/30/87/1169903087.db2.gz KIOKKSDUPKVLEH-AWEZNQCLSA-N 2 0 281.444 1.826 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001569614256 1169938363 /nfs/dbraw/zinc/93/83/63/1169938363.db2.gz PUKIMQFZOLQQLU-CVEARBPZSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001358204658 969708373 /nfs/dbraw/zinc/70/83/73/969708373.db2.gz YOYGBSCRRRCREB-GZBFAFLISA-N 2 0 265.401 1.318 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496299085 972879007 /nfs/dbraw/zinc/87/90/07/972879007.db2.gz GXADBEZXUBOVRT-HUUCEWRRSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498282608 973806607 /nfs/dbraw/zinc/80/66/07/973806607.db2.gz KJCJAVNBLKUNBA-HIFRSBDPSA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001498380274 973874547 /nfs/dbraw/zinc/87/45/47/973874547.db2.gz GIKZVUNSXJBHAZ-CYBMUJFWSA-N 2 0 269.433 1.587 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001498491750 973948004 /nfs/dbraw/zinc/94/80/04/973948004.db2.gz RMKSYYAXSVNODD-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH+]1CCC(C)(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001569706746 1169970563 /nfs/dbraw/zinc/97/05/63/1169970563.db2.gz WIKUKMKKEFKWFS-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[NH+]1CCC[C@@](C)(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001569724148 1169975735 /nfs/dbraw/zinc/97/57/35/1169975735.db2.gz QIHJFVPLJGOMLM-KRWDZBQOSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCC1 ZINC001500110494 974375980 /nfs/dbraw/zinc/37/59/80/974375980.db2.gz JDLVAWCSQRZEIU-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001500441566 974437713 /nfs/dbraw/zinc/43/77/13/974437713.db2.gz HSSQCDOCMMSNGB-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001500505307 974445864 /nfs/dbraw/zinc/44/58/64/974445864.db2.gz MLQLNLZQHRKMHA-GDBMZVCRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001502074616 974688567 /nfs/dbraw/zinc/68/85/67/974688567.db2.gz KYVDIGCCTUKUCS-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C=CC[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001502401376 974734360 /nfs/dbraw/zinc/73/43/60/974734360.db2.gz LQEPJZGAHJPFFW-UHFFFAOYSA-N 2 0 255.406 1.293 10 30 CDEERP C=CCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001502738399 974772163 /nfs/dbraw/zinc/77/21/63/974772163.db2.gz NREHXCNADOKGCR-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001505943568 975052375 /nfs/dbraw/zinc/05/23/75/975052375.db2.gz KQQKADOKJWDQQN-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)C12CCC[NH+]1CCC2 ZINC001506541128 975175541 /nfs/dbraw/zinc/17/55/41/975175541.db2.gz VMAOKTCWZLBSAJ-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001507415674 975460138 /nfs/dbraw/zinc/46/01/38/975460138.db2.gz LKCRHKORTIESDQ-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001674749439 1174003821 /nfs/dbraw/zinc/00/38/21/1174003821.db2.gz ZFKNSWOLWBCAQA-HUUCEWRRSA-N 2 0 293.455 1.613 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001675025409 1174063546 /nfs/dbraw/zinc/06/35/46/1174063546.db2.gz SHNHZHMSGAONMX-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001676351421 1174213364 /nfs/dbraw/zinc/21/33/64/1174213364.db2.gz QSAVPJWDLZWSIS-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001676754939 1174267268 /nfs/dbraw/zinc/26/72/68/1174267268.db2.gz HXRRDIMEOQGXPA-GJZGRUSLSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001570217879 1170112835 /nfs/dbraw/zinc/11/28/35/1170112835.db2.gz DDZNMQWWZRHYHB-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001570359706 1170139497 /nfs/dbraw/zinc/13/94/97/1170139497.db2.gz ZVMIIOMOBQLUFN-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001570652363 1170223128 /nfs/dbraw/zinc/22/31/28/1170223128.db2.gz CUIZPNYCZTYDCU-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001570858139 1170301359 /nfs/dbraw/zinc/30/13/59/1170301359.db2.gz RRYFLIQPTBBCNL-CQSZACIVSA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001570907996 1170317716 /nfs/dbraw/zinc/31/77/16/1170317716.db2.gz SJLDGVRPWDPQRD-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001571661958 1170513754 /nfs/dbraw/zinc/51/37/54/1170513754.db2.gz KUSNDHUODOFSQC-UHFFFAOYSA-N 2 0 253.390 1.093 10 30 CDEERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]([NH3+])CCCCC#N ZINC000594438277 342906441 /nfs/dbraw/zinc/90/64/41/342906441.db2.gz IFKUBLSWMYSBGU-QLFBSQMISA-N 2 0 292.427 1.483 10 30 CDEERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440681 342907077 /nfs/dbraw/zinc/90/70/77/342907077.db2.gz HSFYJHPGGYKILR-STQMWFEESA-N 2 0 268.405 1.244 10 30 CDEERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594441735 342907774 /nfs/dbraw/zinc/90/77/74/342907774.db2.gz VXNUPQCCGJQRLR-KGLIPLIRSA-N 2 0 280.416 1.340 10 30 CDEERP Cc1ccc(CN2CCN(c3nccn3C)CC2)cc1C#N ZINC000599334498 344021890 /nfs/dbraw/zinc/02/18/90/344021890.db2.gz GDMWANVUHKZISM-UHFFFAOYSA-N 2 0 295.390 1.922 10 30 CDEERP CN(CCC[N@H+](C)Cc1ccnc(C#N)c1)CC[NH+](C)C ZINC000588977264 342446355 /nfs/dbraw/zinc/44/63/55/342446355.db2.gz IDINWPPRQRUSRJ-UHFFFAOYSA-N 2 0 289.427 1.269 10 30 CDEERP CCNC(=[NH2+])N1CCN(Cc2ccc(OC)cc2)CC1 ZINC000076016560 347618707 /nfs/dbraw/zinc/61/87/07/347618707.db2.gz KFEJXAGDJWIDEP-UHFFFAOYSA-N 2 0 276.384 1.147 10 30 CDEERP C=C(C)CN(C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665760970 538414214 /nfs/dbraw/zinc/41/42/14/538414214.db2.gz TXYIFIQWZMGQJL-AWEZNQCLSA-N 2 0 284.448 1.476 10 30 CDEERP N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000566482067 357848700 /nfs/dbraw/zinc/84/87/00/357848700.db2.gz MGAFBPAWRLKLRQ-ZIAGYGMSSA-N 2 0 259.353 1.797 10 30 CDEERP C[N@@H+]1CC[C@@]2(CCN(Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000366492890 363594718 /nfs/dbraw/zinc/59/47/18/363594718.db2.gz WLFFJNMSGKMFAH-QGZVFWFLSA-N 2 0 295.390 1.734 10 30 CDEERP N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000528394107 367822762 /nfs/dbraw/zinc/82/27/62/367822762.db2.gz XNTZKYPEVGDUON-HZPDHXFCSA-N 2 0 291.439 1.849 10 30 CDEERP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001661740276 1172438368 /nfs/dbraw/zinc/43/83/68/1172438368.db2.gz YDIBTRSNMPOUKT-HUUCEWRRSA-N 2 0 281.444 1.587 10 30 CDEERP COc1cc(C[NH2+][C@@H]2CN(C)C[C@H]2C)ccc1C#N ZINC000353233217 375171165 /nfs/dbraw/zinc/17/11/65/375171165.db2.gz WPCZILSESNLJNP-BXUZGUMPSA-N 2 0 259.353 1.607 10 30 CDEERP C=CC[C@]1(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCC[NH2+]1 ZINC000662418447 412990653 /nfs/dbraw/zinc/99/06/53/412990653.db2.gz QPUZGVHFXODOKN-QGZVFWFLSA-N 2 0 285.391 1.969 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000662423915 413001120 /nfs/dbraw/zinc/00/11/20/413001120.db2.gz PPRNVIRKWLBFBL-KCQAQPDRSA-N 2 0 265.401 1.271 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001664754817 1172904448 /nfs/dbraw/zinc/90/44/48/1172904448.db2.gz IRWSRTXCYOKOJF-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000662690871 413319294 /nfs/dbraw/zinc/31/92/94/413319294.db2.gz CGHSXKNHPITEPV-ZBFHGGJFSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001665799878 1173063913 /nfs/dbraw/zinc/06/39/13/1173063913.db2.gz YIPHYNOQWAUGHG-LBPRGKRZSA-N 2 0 253.390 1.141 10 30 CDEERP CCCC[N@H+](CCO)Cc1sccc1C#CC[NH3+] ZINC000043683870 175091700 /nfs/dbraw/zinc/09/17/00/175091700.db2.gz YCVZRSGTHOKOHA-UHFFFAOYSA-N 2 0 266.410 1.653 10 30 CDEERP C[NH+](C)CC1CC[NH+](Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043689050 175095248 /nfs/dbraw/zinc/09/52/48/175095248.db2.gz JUPIRVOBZWODLU-UHFFFAOYSA-N 3 0 291.464 1.832 10 30 CDEERP CN(Cc1ccc(C#CC[NH3+])s1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190470 176066949 /nfs/dbraw/zinc/06/69/49/176066949.db2.gz FWHLWTFPCCLAGU-CYBMUJFWSA-N 2 0 277.437 1.442 10 30 CDEERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCC#N ZINC000344356073 225040143 /nfs/dbraw/zinc/04/01/43/225040143.db2.gz LVRKSOONLPAYEV-UHFFFAOYSA-N 2 0 255.325 1.969 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001666903559 1173204216 /nfs/dbraw/zinc/20/42/16/1173204216.db2.gz UQZLVZURRDJRMM-HNNXBMFYSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC3(CC[NH2+]3)CC2)CCC[NH2+]1 ZINC000662816786 424502586 /nfs/dbraw/zinc/50/25/86/424502586.db2.gz DIXGCQJVLORVAJ-OAHLLOKOSA-N 2 0 263.385 1.039 10 30 CDEERP CC#CC[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001671432781 1173682611 /nfs/dbraw/zinc/68/26/11/1173682611.db2.gz YIHIQFXMNXPYOK-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725470229 1159242024 /nfs/dbraw/zinc/24/20/24/1159242024.db2.gz LIGHMQBSBVTTMU-UKRRQHHQSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CC(=C)C)CC1 ZINC001482969208 1160652906 /nfs/dbraw/zinc/65/29/06/1160652906.db2.gz CUEBLJAUUGOJNG-UHFFFAOYSA-N 2 0 291.439 1.346 10 30 CDEERP C#CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001486450852 1161455847 /nfs/dbraw/zinc/45/58/47/1161455847.db2.gz QDHVTDQNUHKWDQ-AWEZNQCLSA-N 2 0 279.428 1.177 10 30 CDEERP CC[N@@H+](Cc1cccc(C#CC[NH3+])c1)C[C@@H]1CCCO1 ZINC000049609562 521338189 /nfs/dbraw/zinc/33/81/89/521338189.db2.gz ANFVNNDQKRIHTM-KRWDZBQOSA-N 2 0 272.392 1.998 10 30 CDEERP COCC[N@H+](Cc1ccc(C#CC[NH3+])cc1)C1CC1 ZINC000049609702 523741732 /nfs/dbraw/zinc/74/17/32/523741732.db2.gz VTSFLNGBCXSOOS-UHFFFAOYSA-N 2 0 258.365 1.608 10 30 CDEERP COc1ccc(C[N@H+](C)[C@H]2CCSC2)cc1C#CC[NH3+] ZINC000049609002 524010999 /nfs/dbraw/zinc/01/09/99/524010999.db2.gz OVRYAEMUZRYEMG-HNNXBMFYSA-N 2 0 290.432 1.943 10 30 CDEERP [NH3+]CC#Cc1cc(C[N@@H+]2CCC[C@@H](O)C2)ccc1F ZINC000049609818 527147616 /nfs/dbraw/zinc/14/76/16/527147616.db2.gz MIYPMCQKEXBUHX-CQSZACIVSA-N 2 0 262.328 1.093 10 30 CDEERP [NH3+]CC#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CO ZINC000049609778 527153343 /nfs/dbraw/zinc/15/33/43/527153343.db2.gz MZLWUINDZOLCFR-INIZCTEOSA-N 2 0 258.365 1.344 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]([N@@H+](C)CC)C2)CC1 ZINC001678389722 1174436291 /nfs/dbraw/zinc/43/62/91/1174436291.db2.gz BICUUYRWYXEWCU-OAHLLOKOSA-N 2 0 294.443 1.372 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001688979824 1175078793 /nfs/dbraw/zinc/07/87/93/1175078793.db2.gz KANQDCHNBIDQJU-QKPAOTATSA-N 2 0 293.455 1.777 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001689912332 1175301203 /nfs/dbraw/zinc/30/12/03/1175301203.db2.gz UYXAYKYTZMWCST-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001690292231 1175429471 /nfs/dbraw/zinc/42/94/71/1175429471.db2.gz PUZSWFPFLZHGOM-BZUAXINKSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939256426 613874412 /nfs/dbraw/zinc/87/44/12/613874412.db2.gz CJIDXFVNIODUIY-ZFWWWQNUSA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[C@H](C)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000878054621 618716546 /nfs/dbraw/zinc/71/65/46/618716546.db2.gz HQFMSIMLHUUBQP-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000900658158 623338643 /nfs/dbraw/zinc/33/86/43/623338643.db2.gz HEBHANOYTFLDBU-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000900880355 623601759 /nfs/dbraw/zinc/60/17/59/623601759.db2.gz IPUNZSHTQCINGO-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C=CC[C@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903934052 626153541 /nfs/dbraw/zinc/15/35/41/626153541.db2.gz ZMTXWNFEMMEYKY-LSDHHAIUSA-N 2 0 289.427 1.991 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[N@@H+](C)CCCC ZINC000908259649 628097054 /nfs/dbraw/zinc/09/70/54/628097054.db2.gz VQFUTSAVFBKBPV-CQSZACIVSA-N 2 0 269.433 1.731 10 30 CDEERP C[N@@H+]1CCC[C@@H]1CNC(NC[C@@H]1CCCO1)=[NH+]C(C)(C)C ZINC000912509238 630049054 /nfs/dbraw/zinc/04/90/54/630049054.db2.gz YFUPLFKUQVANAF-KGLIPLIRSA-N 2 0 296.459 1.593 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000876717514 630561718 /nfs/dbraw/zinc/56/17/18/630561718.db2.gz CKQYKGXCRIXWRN-VXGBXAGGSA-N 2 0 273.808 1.399 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)NCCC[NH+](CC)CC)CC1 ZINC000913852452 630839279 /nfs/dbraw/zinc/83/92/79/630839279.db2.gz RHSYYFBYKRREBE-UHFFFAOYSA-N 2 0 294.443 1.115 10 30 CDEERP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001283173574 1158836147 /nfs/dbraw/zinc/83/61/47/1158836147.db2.gz MHPRRHYAFPCCCS-GOEBONIOSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001700195455 1158934241 /nfs/dbraw/zinc/93/42/41/1158934241.db2.gz NMXQTCDGQWSNTG-UHFFFAOYSA-N 2 0 279.428 1.276 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267667241 1159562197 /nfs/dbraw/zinc/56/21/97/1159562197.db2.gz QJOHHYMIXVWKPF-ZIAGYGMSSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)C[NH+](C)C1CCC1 ZINC001566460770 1168286848 /nfs/dbraw/zinc/28/68/48/1168286848.db2.gz CESZOVOTXPSIBH-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566900052 1168460202 /nfs/dbraw/zinc/46/02/02/1168460202.db2.gz LIDNVICYPGHLCN-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001567138818 1168591954 /nfs/dbraw/zinc/59/19/54/1168591954.db2.gz OHLZIJQZPYARCJ-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001568129739 1169141720 /nfs/dbraw/zinc/14/17/20/1169141720.db2.gz HYGUEPXCWPJUTK-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001570740080 1170263643 /nfs/dbraw/zinc/26/36/43/1170263643.db2.gz LDOZWOACSZZRBM-JKSUJKDBSA-N 2 0 293.455 1.709 10 30 CDEERP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001570740078 1170265537 /nfs/dbraw/zinc/26/55/37/1170265537.db2.gz LDOZWOACSZZRBM-HOTGVXAUSA-N 2 0 293.455 1.709 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001570748365 1170269181 /nfs/dbraw/zinc/26/91/81/1170269181.db2.gz YKKUYFVKKQBTFX-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001660753789 1172271895 /nfs/dbraw/zinc/27/18/95/1172271895.db2.gz YUPZGOQUZQTZMS-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH+]1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001660775941 1172275131 /nfs/dbraw/zinc/27/51/31/1172275131.db2.gz MCPNFLFLJONFKO-UHFFFAOYSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001661162279 1172346331 /nfs/dbraw/zinc/34/63/31/1172346331.db2.gz FSHZDELMNYNQGQ-ZIAGYGMSSA-N 2 0 267.417 1.243 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001661378296 1172378185 /nfs/dbraw/zinc/37/81/85/1172378185.db2.gz FXGGZFBTFWWSND-AWEZNQCLSA-N 2 0 265.401 1.239 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CC(C)C)CC1 ZINC001663013884 1172628476 /nfs/dbraw/zinc/62/84/76/1172628476.db2.gz HGKIOXOROAOJKR-HNNXBMFYSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC001585123859 1172878772 /nfs/dbraw/zinc/87/87/72/1172878772.db2.gz VNNKOXFDGWCKDJ-HNNXBMFYSA-N 2 0 283.460 1.977 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001664806664 1172914059 /nfs/dbraw/zinc/91/40/59/1172914059.db2.gz ISOCDQAOBFTYCL-GDBMZVCRSA-N 2 0 291.439 1.295 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001665810437 1173066125 /nfs/dbraw/zinc/06/61/25/1173066125.db2.gz VXRMFFXWSVKIFF-AWEZNQCLSA-N 2 0 298.390 1.764 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001665956657 1173091371 /nfs/dbraw/zinc/09/13/71/1173091371.db2.gz OROPQUXYVZWFIN-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001666569070 1173154090 /nfs/dbraw/zinc/15/40/90/1173154090.db2.gz ZPTMMWDRKVFXOL-HNNXBMFYSA-N 2 0 293.455 1.780 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001667203895 1173245072 /nfs/dbraw/zinc/24/50/72/1173245072.db2.gz MQPQIMPCAABEHO-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@H]21 ZINC001667695220 1173311210 /nfs/dbraw/zinc/31/12/10/1173311210.db2.gz VLICFXAGIUVJPF-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668164006 1173375097 /nfs/dbraw/zinc/37/50/97/1173375097.db2.gz ZTQOIHQJPCDIAK-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001676783280 1174271008 /nfs/dbraw/zinc/27/10/08/1174271008.db2.gz KPDPBJADLOUXLI-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001690407379 1175464528 /nfs/dbraw/zinc/46/45/28/1175464528.db2.gz JIHWBTQAWPTELC-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001690501537 1175483325 /nfs/dbraw/zinc/48/33/25/1175483325.db2.gz MMUCTHAMQQMKIH-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001690689120 1175545767 /nfs/dbraw/zinc/54/57/67/1175545767.db2.gz LBWHZOKJEWXNSP-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001690866906 1175595510 /nfs/dbraw/zinc/59/55/10/1175595510.db2.gz FFOAVWPPYFCPGU-LSDHHAIUSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001692020754 1175667463 /nfs/dbraw/zinc/66/74/63/1175667463.db2.gz LRRQVLHPBFXEBT-UHFFFAOYSA-N 2 0 267.417 1.295 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001698604289 1175868601 /nfs/dbraw/zinc/86/86/01/1175868601.db2.gz IRHRLYKMWZJUAL-QWHCGFSZSA-N 2 0 255.406 1.387 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001698609437 1175870699 /nfs/dbraw/zinc/87/06/99/1175870699.db2.gz FALIJSNFNIWKFJ-SOUVJXGZSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001698858961 1175966208 /nfs/dbraw/zinc/96/62/08/1175966208.db2.gz XGKSXXGLVJZSTP-KGLIPLIRSA-N 2 0 267.417 1.032 10 30 CDEERP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001698945227 1175991689 /nfs/dbraw/zinc/99/16/89/1175991689.db2.gz GNWRHTBBDGHQFO-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001698991725 1176021518 /nfs/dbraw/zinc/02/15/18/1176021518.db2.gz UANYCXUNXJHMCO-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001699003196 1176033875 /nfs/dbraw/zinc/03/38/75/1176033875.db2.gz USORSNNQRODGMI-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001699021125 1176046280 /nfs/dbraw/zinc/04/62/80/1176046280.db2.gz OOQFMPNKEKOXFS-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001699335551 1176261454 /nfs/dbraw/zinc/26/14/54/1176261454.db2.gz KDRSYPUZTFUZPA-ARJAWSKDSA-N 2 0 277.412 1.310 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001699431923 1176394999 /nfs/dbraw/zinc/39/49/99/1176394999.db2.gz UVJZVPKAZFHMLD-GJZGRUSLSA-N 2 0 297.443 1.015 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001699634600 1176529455 /nfs/dbraw/zinc/52/94/55/1176529455.db2.gz SHRJCLHVJAIGTB-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001699666064 1176559302 /nfs/dbraw/zinc/55/93/02/1176559302.db2.gz OTPBLIRSPGWIPX-GJZGRUSLSA-N 2 0 289.423 1.265 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001699760447 1176610303 /nfs/dbraw/zinc/61/03/03/1176610303.db2.gz LCTDDJMLHLWXLK-JKSUJKDBSA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CCC1 ZINC001700140998 1176768063 /nfs/dbraw/zinc/76/80/63/1176768063.db2.gz ZAYCIDUVACKQAE-UHFFFAOYSA-N 2 0 291.439 1.514 10 30 CDEERP C#CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001700888924 1177179723 /nfs/dbraw/zinc/17/97/23/1177179723.db2.gz RPGLOKREWZBCNK-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001707092581 1177948900 /nfs/dbraw/zinc/94/89/00/1177948900.db2.gz VCNBSGGYYGSLCI-SHTZXODSSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001713263610 1178458635 /nfs/dbraw/zinc/45/86/35/1178458635.db2.gz WAWKNFSHXMNQHV-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001713310458 1178489107 /nfs/dbraw/zinc/48/91/07/1178489107.db2.gz VAWXONWIJMJZDS-KGLIPLIRSA-N 2 0 267.417 1.530 10 30 CDEERP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001713512883 1178618360 /nfs/dbraw/zinc/61/83/60/1178618360.db2.gz UNEMWSIJCXOGGQ-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713551696 1178641163 /nfs/dbraw/zinc/64/11/63/1178641163.db2.gz XAQFEGOWOIZJMV-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713756462 1178740130 /nfs/dbraw/zinc/74/01/30/1178740130.db2.gz WYZQILQVLGCMGM-HZPDHXFCSA-N 2 0 295.471 1.929 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001714003718 1178922758 /nfs/dbraw/zinc/92/27/58/1178922758.db2.gz KDPNOLASIJHENV-HUUCEWRRSA-N 2 0 297.418 1.222 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001714003719 1178924287 /nfs/dbraw/zinc/92/42/87/1178924287.db2.gz KDPNOLASIJHENV-LSDHHAIUSA-N 2 0 297.418 1.222 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714040616 1178941219 /nfs/dbraw/zinc/94/12/19/1178941219.db2.gz AIWWQADWLDYVAQ-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001714201490 1179012240 /nfs/dbraw/zinc/01/22/40/1179012240.db2.gz RCZPWDHOBGMLQO-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001714906509 1179447155 /nfs/dbraw/zinc/44/71/55/1179447155.db2.gz ROEGKHPWPZALSH-CVEARBPZSA-N 2 0 293.455 1.376 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001715146976 1179564609 /nfs/dbraw/zinc/56/46/09/1179564609.db2.gz RDQGVOWWRRBMCI-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001715236186 1179590504 /nfs/dbraw/zinc/59/05/04/1179590504.db2.gz RLSCICZCIQLTLC-BFHYXJOUSA-N 2 0 290.411 1.821 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001715362245 1179642764 /nfs/dbraw/zinc/64/27/64/1179642764.db2.gz VCUZNBAXFWIKSB-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)CCCC[NH+](C)C ZINC001715370863 1179645763 /nfs/dbraw/zinc/64/57/63/1179645763.db2.gz DBLHZITVLIZYJF-AWEZNQCLSA-N 2 0 267.417 1.178 10 30 CDEERP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001715402324 1179656906 /nfs/dbraw/zinc/65/69/06/1179656906.db2.gz PIMIMYJJGYSDTH-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001715768423 1179797626 /nfs/dbraw/zinc/79/76/26/1179797626.db2.gz WDBVLGDQCSJIPO-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001715775896 1179799922 /nfs/dbraw/zinc/79/99/22/1179799922.db2.gz AIOGBYLHRINUFZ-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001715825993 1179851416 /nfs/dbraw/zinc/85/14/16/1179851416.db2.gz IBIBWDPZYUXIRF-ZRUQZJFASA-N 2 0 265.401 1.309 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001716549961 1180280377 /nfs/dbraw/zinc/28/03/77/1180280377.db2.gz NONJRLUZQTUXEX-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001716585443 1180294737 /nfs/dbraw/zinc/29/47/37/1180294737.db2.gz OARMACVPUXVZBT-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[NH+]1CCC(C)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001716796898 1180418817 /nfs/dbraw/zinc/41/88/17/1180418817.db2.gz LQOSSSMXTWIDEJ-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001716850837 1180440383 /nfs/dbraw/zinc/44/03/83/1180440383.db2.gz RNTPCWZJKGKMFQ-INIZCTEOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001717105588 1180531568 /nfs/dbraw/zinc/53/15/68/1180531568.db2.gz WVQNNQRSZGAQES-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717453538 1180679435 /nfs/dbraw/zinc/67/94/35/1180679435.db2.gz SXHLFWWVXBNGTC-HUUCEWRRSA-N 2 0 293.455 1.424 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001717682521 1180789745 /nfs/dbraw/zinc/78/97/45/1180789745.db2.gz VHIQAAHYLXUWQB-PMPSAXMXSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717822120 1180880101 /nfs/dbraw/zinc/88/01/01/1180880101.db2.gz NRWDHXZKIPJQPI-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001724785609 1181753454 /nfs/dbraw/zinc/75/34/54/1181753454.db2.gz IQEODGIJNZDBKL-AWEZNQCLSA-N 2 0 279.428 1.674 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC001724789852 1181754799 /nfs/dbraw/zinc/75/47/99/1181754799.db2.gz WYEVEKHUALPCDS-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001725129329 1181876392 /nfs/dbraw/zinc/87/63/92/1181876392.db2.gz OSIPVEYFDRPFON-JKSUJKDBSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)CCC ZINC001725145414 1181882589 /nfs/dbraw/zinc/88/25/89/1181882589.db2.gz CYQZYYWASROISV-UHFFFAOYSA-N 2 0 267.417 1.036 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001725210978 1181924179 /nfs/dbraw/zinc/92/41/79/1181924179.db2.gz AFQBFQPZZZAMIF-JKSUJKDBSA-N 2 0 293.455 1.424 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001725383556 1181982777 /nfs/dbraw/zinc/98/27/77/1181982777.db2.gz BLGTZTWZYGAZET-LSDHHAIUSA-N 2 0 279.428 1.367 10 30 CDEERP CC#CC[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001725863330 1182148029 /nfs/dbraw/zinc/14/80/29/1182148029.db2.gz SKYFTCJZMQQWOF-UHFFFAOYSA-N 2 0 289.423 1.100 10 30 CDEERP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001731270971 1182287621 /nfs/dbraw/zinc/28/76/21/1182287621.db2.gz FMMIORSSHFCHNR-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001731296922 1182300469 /nfs/dbraw/zinc/30/04/69/1182300469.db2.gz YNIOHTNDLPLRLM-LSDHHAIUSA-N 2 0 291.439 1.627 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001731296230 1182301520 /nfs/dbraw/zinc/30/15/20/1182301520.db2.gz JYLJATFILPWRNC-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001731311878 1182312119 /nfs/dbraw/zinc/31/21/19/1182312119.db2.gz XVSQPMPPGUWYKZ-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001732048862 1182739543 /nfs/dbraw/zinc/73/95/43/1182739543.db2.gz LCNREPPZWBBHNA-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001732251639 1182884348 /nfs/dbraw/zinc/88/43/48/1182884348.db2.gz QZWFVFAOOLSTMA-OAHLLOKOSA-N 2 0 277.412 1.143 10 30 CDEERP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001732387347 1182941970 /nfs/dbraw/zinc/94/19/70/1182941970.db2.gz PMWDPYGCJFSBRO-OAHLLOKOSA-N 2 0 297.443 1.111 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001732956563 1183203942 /nfs/dbraw/zinc/20/39/42/1183203942.db2.gz JPTZRZAGAGBGDY-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001733109112 1183294445 /nfs/dbraw/zinc/29/44/45/1183294445.db2.gz VDERTRVMQZABEB-CYBMUJFWSA-N 2 0 287.835 1.661 10 30 CDEERP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001733413011 1183425825 /nfs/dbraw/zinc/42/58/25/1183425825.db2.gz SWAXFDDOSVBENQ-MRXNPFEDSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH+]1CCC[C@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001733462646 1183439223 /nfs/dbraw/zinc/43/92/23/1183439223.db2.gz OFSCBIFPZMPDNN-MRXNPFEDSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001733931143 1183574230 /nfs/dbraw/zinc/57/42/30/1183574230.db2.gz WMKCVCVUUBKKQQ-HZPDHXFCSA-N 2 0 291.439 1.437 10 30 CDEERP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001734045383 1183632601 /nfs/dbraw/zinc/63/26/01/1183632601.db2.gz SKVVYEJVOOXTRF-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001734125963 1183668019 /nfs/dbraw/zinc/66/80/19/1183668019.db2.gz NTQBVSODCSPVGR-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001734500160 1183801842 /nfs/dbraw/zinc/80/18/42/1183801842.db2.gz IXQGQNIWFDZFJV-AWEZNQCLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[N@@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001734555057 1183824028 /nfs/dbraw/zinc/82/40/28/1183824028.db2.gz YJUQFAJSGATIHL-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000876901101 1165937121 /nfs/dbraw/zinc/93/71/21/1165937121.db2.gz ZEXUAXMWFIRNLC-AGIUHOORSA-N 2 0 285.819 1.399 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001691743091 1166888116 /nfs/dbraw/zinc/88/81/16/1166888116.db2.gz VQSBCUPJLLLTMJ-GASCZTMLSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCC[NH2+]1 ZINC000877151841 844059227 /nfs/dbraw/zinc/05/92/27/844059227.db2.gz SZDGNAVIEXPESO-XJKSGUPXSA-N 2 0 279.428 1.579 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000876956987 844494867 /nfs/dbraw/zinc/49/48/67/844494867.db2.gz PWIJKLJODXKTRO-ZIAGYGMSSA-N 2 0 299.846 1.695 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001569145305 1167553065 /nfs/dbraw/zinc/55/30/65/1167553065.db2.gz GGXVWEOUEDAGBV-AWEZNQCLSA-N 2 0 279.428 1.177 10 30 CDEERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(OCC#N)cc1 ZINC000863547135 843002790 /nfs/dbraw/zinc/00/27/90/843002790.db2.gz PGBJLOYQLXGESH-ZDUSSCGKSA-N 2 0 277.368 1.605 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000877145320 843420190 /nfs/dbraw/zinc/42/01/90/843420190.db2.gz FIUUPQIMJMKMKL-NWDGAFQWSA-N 2 0 271.792 1.009 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001571356932 1167591106 /nfs/dbraw/zinc/59/11/06/1167591106.db2.gz BGTLMUMRMVLXFE-ZIAGYGMSSA-N 2 0 265.401 1.093 10 30 CDEERP C=C(C)CNC(=[NH2+])NCC[N@@H+](C)C1CCCCC1 ZINC000303902864 844939933 /nfs/dbraw/zinc/93/99/33/844939933.db2.gz UGILJVMYEQIKQM-UHFFFAOYSA-N 2 0 252.406 1.731 10 30 CDEERP CC1(C)CC[NH2+]CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000712555981 845054797 /nfs/dbraw/zinc/05/47/97/845054797.db2.gz CEJPYDYDJLVYSS-HNNXBMFYSA-N 2 0 273.380 1.666 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000876775102 845402083 /nfs/dbraw/zinc/40/20/83/845402083.db2.gz OIBSKEMTDZDXAV-NWDGAFQWSA-N 2 0 273.808 1.257 10 30 CDEERP N#C[C@@H]1CCC[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925811585 845717992 /nfs/dbraw/zinc/71/79/92/845717992.db2.gz JEOYKBMIEWGLNG-OCCSQVGLSA-N 2 0 250.390 1.081 10 30 CDEERP C=CC[C@]1(C(=O)NCc2ccc(CC[NH3+])cc2)CCC[NH2+]1 ZINC000852795632 845868735 /nfs/dbraw/zinc/86/87/35/845868735.db2.gz YVRYQRYFJZHXNI-QGZVFWFLSA-N 2 0 287.407 1.502 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC[C@@]1(C)CCCS1 ZINC000261941670 846207786 /nfs/dbraw/zinc/20/77/86/846207786.db2.gz DQGGBIRLBHUOSI-DZGCQCFKSA-N 2 0 298.500 1.921 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000876764174 846537097 /nfs/dbraw/zinc/53/70/97/846537097.db2.gz KOPYLUSETVTCLZ-VWYCJHECSA-N 2 0 259.781 1.055 10 30 CDEERP C#C[C@@H]1CCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000934516258 846741618 /nfs/dbraw/zinc/74/16/18/846741618.db2.gz FFXSZTDQNREDKE-QGZVFWFLSA-N 2 0 277.456 1.890 10 30 CDEERP CC[NH+]=C(NC1CCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261972889 847220173 /nfs/dbraw/zinc/22/01/73/847220173.db2.gz NEQRAIIAIAPVKG-GXTWGEPZSA-N 2 0 266.433 1.823 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000846291152 847699422 /nfs/dbraw/zinc/69/94/22/847699422.db2.gz JGPVLJYXIPAZGT-UHFFFAOYSA-N 2 0 255.406 1.198 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001502754780 1167775316 /nfs/dbraw/zinc/77/53/16/1167775316.db2.gz XBYVDUMMCIMNQQ-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001566498226 1168310181 /nfs/dbraw/zinc/31/01/81/1168310181.db2.gz YADPBYQWWWCTNH-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001566615995 1168355650 /nfs/dbraw/zinc/35/56/50/1168355650.db2.gz XANCQLRBRBHJKY-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001567198819 1168616236 /nfs/dbraw/zinc/61/62/36/1168616236.db2.gz PCWGVSWOSASETJ-INIZCTEOSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001567291228 1168662992 /nfs/dbraw/zinc/66/29/92/1168662992.db2.gz YIXSLFUPCDZBLM-UHFFFAOYSA-N 2 0 265.401 1.239 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266361280 894564563 /nfs/dbraw/zinc/56/45/63/894564563.db2.gz KHPVZIVFRQLFPQ-HZPDHXFCSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH+]1CCC2(C[C@H]2NC(=O)CCCC[NH+](C)C)CC1 ZINC001266381055 894636064 /nfs/dbraw/zinc/63/60/64/894636064.db2.gz WZQYZBUEWFFSEN-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001266427033 894818139 /nfs/dbraw/zinc/81/81/39/894818139.db2.gz SYDCKFWAXOCTMG-CQSZACIVSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001266804533 896078469 /nfs/dbraw/zinc/07/84/69/896078469.db2.gz JMMPOZMSWPEAMM-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267064983 896670475 /nfs/dbraw/zinc/67/04/75/896670475.db2.gz OFIMZIXMDVPNDW-OAHLLOKOSA-N 2 0 291.439 1.487 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267089217 896739419 /nfs/dbraw/zinc/73/94/19/896739419.db2.gz CHVFZNXFOBWTPE-HUUCEWRRSA-N 2 0 289.423 1.123 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267195583 897109219 /nfs/dbraw/zinc/10/92/19/897109219.db2.gz GMMWDUJBGPKFRD-HNNXBMFYSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001267376597 897770935 /nfs/dbraw/zinc/77/09/35/897770935.db2.gz HEIDEUNHYIFNFH-MRXNPFEDSA-N 2 0 297.402 1.163 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)C[N@H+](C)C1CCC1 ZINC001267806420 899774763 /nfs/dbraw/zinc/77/47/63/899774763.db2.gz NQMGKOSIPXSUSA-LBPRGKRZSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+]C[C@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@@H]1C ZINC001267874416 899930487 /nfs/dbraw/zinc/93/04/87/899930487.db2.gz UEJVKEZDNBARHO-DOTOQJQBSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001267938089 900008018 /nfs/dbraw/zinc/00/80/18/900008018.db2.gz KCBNKQZIWBHXQN-UHFFFAOYSA-N 2 0 299.418 1.510 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481490757 900910773 /nfs/dbraw/zinc/91/07/73/900910773.db2.gz JLMQYUZXCIQBFS-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001481496785 900922330 /nfs/dbraw/zinc/92/23/30/900922330.db2.gz FVBBTKKCLVJMLO-CABCVRRESA-N 2 0 279.428 1.295 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001268211300 901579557 /nfs/dbraw/zinc/57/95/57/901579557.db2.gz DTUSZGOMKMVNMG-AWEZNQCLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CCCF)CC1 ZINC001481880088 902259219 /nfs/dbraw/zinc/25/92/19/902259219.db2.gz BSOAUYQXBRSQIV-OAHLLOKOSA-N 2 0 297.418 1.176 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001481882538 902261406 /nfs/dbraw/zinc/26/14/06/902261406.db2.gz SFEBJMSEVDYIAA-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001268833256 903164725 /nfs/dbraw/zinc/16/47/25/903164725.db2.gz JBLMPAGNOGPLJV-CQSZACIVSA-N 2 0 285.407 1.290 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001269165618 903496970 /nfs/dbraw/zinc/49/69/70/903496970.db2.gz GXMREDFKGJIDFJ-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001269971819 904241779 /nfs/dbraw/zinc/24/17/79/904241779.db2.gz JMPDSGMHRIHTDJ-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001270221308 904455065 /nfs/dbraw/zinc/45/50/65/904455065.db2.gz CTVCXTAUOBMAGC-OAHLLOKOSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001270266449 904493417 /nfs/dbraw/zinc/49/34/17/904493417.db2.gz GVWLXMZESLVGKN-UHFFFAOYSA-N 2 0 291.439 1.466 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001482344507 905139553 /nfs/dbraw/zinc/13/95/53/905139553.db2.gz NQTNFJCWSLJJME-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482458253 905668387 /nfs/dbraw/zinc/66/83/87/905668387.db2.gz CAJXYZBYKARQDA-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001271254198 906209273 /nfs/dbraw/zinc/20/92/73/906209273.db2.gz MFDAPISPVYQCEO-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC001271353157 906265146 /nfs/dbraw/zinc/26/51/46/906265146.db2.gz AOPQCMZHQWMZJG-INIZCTEOSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001271565238 906521508 /nfs/dbraw/zinc/52/15/08/906521508.db2.gz BMLFBLALMPIEJU-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001273578299 921409270 /nfs/dbraw/zinc/40/92/70/921409270.db2.gz QKCFALKWAHMLTH-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483348081 910945503 /nfs/dbraw/zinc/94/55/03/910945503.db2.gz RYHPZRHGJADBGD-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001284068170 911375119 /nfs/dbraw/zinc/37/51/19/911375119.db2.gz DFYUNTVTHVHFBX-WBVHZDCISA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001484048936 915354143 /nfs/dbraw/zinc/35/41/43/915354143.db2.gz YBEQOVFHQPVTEB-WBVHZDCISA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484122184 915444881 /nfs/dbraw/zinc/44/48/81/915444881.db2.gz BQQPWBDFEXRBFY-ZBFHGGJFSA-N 2 0 281.444 1.587 10 30 CDEERP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484548361 915872604 /nfs/dbraw/zinc/87/26/04/915872604.db2.gz CCPKLARGFPNYSA-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001484904954 916258770 /nfs/dbraw/zinc/25/87/70/916258770.db2.gz LUYOCPNTPWQYTI-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001484937919 916285068 /nfs/dbraw/zinc/28/50/68/916285068.db2.gz ZAHCKIRPZKXAKS-CABCVRRESA-N 2 0 295.471 1.975 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001484941838 916302502 /nfs/dbraw/zinc/30/25/02/916302502.db2.gz LCKCEWBOYBJFOW-KGLIPLIRSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001485076075 916471179 /nfs/dbraw/zinc/47/11/79/916471179.db2.gz KNJAOQFHVUKOOG-HNNXBMFYSA-N 2 0 279.428 1.581 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001485094915 916508889 /nfs/dbraw/zinc/50/88/89/916508889.db2.gz OTQXKSJZVTXCIS-YMAMQOFZSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485192849 916655003 /nfs/dbraw/zinc/65/50/03/916655003.db2.gz XMKTZFGLGYUBAJ-QWRGUYRKSA-N 2 0 261.797 1.173 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001485428114 916974609 /nfs/dbraw/zinc/97/46/09/916974609.db2.gz IFYXTRUDYUBFHM-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001485837557 920085452 /nfs/dbraw/zinc/08/54/52/920085452.db2.gz PVKWDCXFXIZODK-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001486400279 920987959 /nfs/dbraw/zinc/98/79/59/920987959.db2.gz UWCDRFSMCOAOLQ-KFWWJZLASA-N 2 0 293.455 1.470 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCC1 ZINC001273114533 922050391 /nfs/dbraw/zinc/05/03/91/922050391.db2.gz XROQIVPJPIANPA-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001649448340 1169257283 /nfs/dbraw/zinc/25/72/83/1169257283.db2.gz WSYKXMYXQSZPPQ-RHSMWYFYSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001491252877 936884115 /nfs/dbraw/zinc/88/41/15/936884115.db2.gz GDCYIDGEXQQILF-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]C1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001491371153 936899571 /nfs/dbraw/zinc/89/95/71/936899571.db2.gz OGDIFLGHKLCJGY-UHFFFAOYSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001490270911 927068837 /nfs/dbraw/zinc/06/88/37/927068837.db2.gz XSWVFVYSVLBZEX-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001493108365 930437220 /nfs/dbraw/zinc/43/72/20/930437220.db2.gz PZQRQZDPCIUDGW-HUUCEWRRSA-N 2 0 297.418 1.270 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001568536781 1169354568 /nfs/dbraw/zinc/35/45/68/1169354568.db2.gz MFMRVLQVUBFTPJ-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001319912724 931490928 /nfs/dbraw/zinc/49/09/28/931490928.db2.gz YDFCHVAHHPUOFK-LSDHHAIUSA-N 2 0 281.444 1.776 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001274773746 931573525 /nfs/dbraw/zinc/57/35/25/931573525.db2.gz WHCXWXZAYRHJEW-GFCCVEGCSA-N 2 0 293.436 1.541 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001275730933 931984143 /nfs/dbraw/zinc/98/41/43/931984143.db2.gz YKMOYZKGDGDKIC-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001275865765 932101110 /nfs/dbraw/zinc/10/11/10/932101110.db2.gz OKNJGGZJACQIPG-LBPRGKRZSA-N 2 0 286.379 1.879 10 30 CDEERP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001276327241 935012271 /nfs/dbraw/zinc/01/22/71/935012271.db2.gz SMODKZRQQVRUGE-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001276333792 935017086 /nfs/dbraw/zinc/01/70/86/935017086.db2.gz WQBVOYXEFXCCTA-ZDUSSCGKSA-N 2 0 287.835 1.519 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001276815650 941466881 /nfs/dbraw/zinc/46/68/81/941466881.db2.gz VNBOZDOQJKNYHB-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001276867534 941661433 /nfs/dbraw/zinc/66/14/33/941661433.db2.gz OVIAXGJXZDCODN-KBPBESRZSA-N 2 0 267.417 1.339 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568766638 1169467182 /nfs/dbraw/zinc/46/71/82/1169467182.db2.gz DWQPEWDIAFGTAR-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001277282493 942284677 /nfs/dbraw/zinc/28/46/77/942284677.db2.gz BZIMUHGHXXEZAK-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001281748040 942616784 /nfs/dbraw/zinc/61/67/84/942616784.db2.gz KKBKJPGUQSYLNY-AWEZNQCLSA-N 2 0 281.444 1.472 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001281956482 942637225 /nfs/dbraw/zinc/63/72/25/942637225.db2.gz FFWNXWIMNBHKSN-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001282399083 942706124 /nfs/dbraw/zinc/70/61/24/942706124.db2.gz QSPIDCYMGGMAHC-ZBFHGGJFSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001283616935 942948596 /nfs/dbraw/zinc/94/85/96/942948596.db2.gz CWVCHDLIXKLIMW-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001263179560 943776574 /nfs/dbraw/zinc/77/65/74/943776574.db2.gz QDBSQYUBCLCGCO-SGMGOOAPSA-N 2 0 251.374 1.071 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001277845897 943798966 /nfs/dbraw/zinc/79/89/66/943798966.db2.gz OMJVUVBYPGUZGN-HOCLYGCPSA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)CCC)CC1 ZINC001279104555 944144813 /nfs/dbraw/zinc/14/48/13/944144813.db2.gz IWCDPMCESFWIKJ-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001265095255 944227267 /nfs/dbraw/zinc/22/72/67/944227267.db2.gz SCDBHFRSMHZGHF-GJZGRUSLSA-N 2 0 279.428 1.319 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001265507565 944412873 /nfs/dbraw/zinc/41/28/73/944412873.db2.gz NLFBGHOZGNOFQU-HDJSIYSDSA-N 2 0 265.401 1.285 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265595232 944440774 /nfs/dbraw/zinc/44/07/74/944440774.db2.gz VDUDIHZMIRGGME-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001265657515 944459093 /nfs/dbraw/zinc/45/90/93/944459093.db2.gz FRRXVYKQBAJQGX-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001265674048 944465682 /nfs/dbraw/zinc/46/56/82/944465682.db2.gz QMMANGADUYIVNM-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C[NH+](C)CC#CC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724024456 948562800 /nfs/dbraw/zinc/56/28/00/948562800.db2.gz RBSOMZZNXFOETF-VIFPVBQESA-N 2 0 288.260 1.090 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001480479859 971747590 /nfs/dbraw/zinc/74/75/90/971747590.db2.gz NIADPYBPTPKRNI-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480679757 971835359 /nfs/dbraw/zinc/83/53/59/971835359.db2.gz CYPWGKNVFXVXQX-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CC=C)CC1 ZINC001324420491 953383121 /nfs/dbraw/zinc/38/31/21/953383121.db2.gz UQKUIRYSGLQXRO-INIZCTEOSA-N 2 0 291.439 1.439 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001327283813 954811060 /nfs/dbraw/zinc/81/10/60/954811060.db2.gz DCFZZWDYFXRHFW-OAHLLOKOSA-N 2 0 281.444 1.376 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001421791258 955546478 /nfs/dbraw/zinc/54/64/78/955546478.db2.gz KPQBJAWQDUBZFM-CYBMUJFWSA-N 2 0 299.846 1.709 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001492027198 955617170 /nfs/dbraw/zinc/61/71/70/955617170.db2.gz OPHWSKNFKVKLIX-SOUVJXGZSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001329084394 955673965 /nfs/dbraw/zinc/67/39/65/955673965.db2.gz DSXBIOCUSAIUGI-OLZOCXBDSA-N 2 0 299.378 1.550 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001493831248 972122657 /nfs/dbraw/zinc/12/26/57/972122657.db2.gz STLDVHGETFDUSK-AWEZNQCLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC)CC1 ZINC001329202099 955752979 /nfs/dbraw/zinc/75/29/79/955752979.db2.gz HYSCLEGSHBTXGR-KBPBESRZSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001493837861 972123899 /nfs/dbraw/zinc/12/38/99/972123899.db2.gz TVGDXPTYZDFBPU-GOEBONIOSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001569217195 1169724302 /nfs/dbraw/zinc/72/43/02/1169724302.db2.gz GDJLFGNECONHDF-UHFFFAOYSA-N 2 0 284.363 1.328 10 30 CDEERP C#CCC[N@@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C(C)C ZINC001493869495 972130691 /nfs/dbraw/zinc/13/06/91/972130691.db2.gz BCFCFQXTONZHLL-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001493958003 972145120 /nfs/dbraw/zinc/14/51/20/972145120.db2.gz YZHNCIBHQOQKMW-MRXNPFEDSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001330598418 956505895 /nfs/dbraw/zinc/50/58/95/956505895.db2.gz CNIIEBTVHUQDJY-KKUMJFAQSA-N 2 0 279.428 1.530 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001316907751 957115078 /nfs/dbraw/zinc/11/50/78/957115078.db2.gz RGWCTESVARWZAN-CQSZACIVSA-N 2 0 267.417 1.034 10 30 CDEERP C#CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@H]12 ZINC001332120979 957440099 /nfs/dbraw/zinc/44/00/99/957440099.db2.gz WZNFEXRTZYQKLI-DOTOQJQBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001317381799 957442716 /nfs/dbraw/zinc/44/27/16/957442716.db2.gz RFOLOMKNRIZDQV-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001318470987 958121687 /nfs/dbraw/zinc/12/16/87/958121687.db2.gz AIPIDJAJSVMUIS-OAHLLOKOSA-N 2 0 279.428 1.580 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001319251372 958456765 /nfs/dbraw/zinc/45/67/65/958456765.db2.gz RSEOXIZRKKEBPX-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001319454395 958574879 /nfs/dbraw/zinc/57/48/79/958574879.db2.gz NDACIDDZNHIEOF-CABCVRRESA-N 2 0 279.428 1.319 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001319591229 958643742 /nfs/dbraw/zinc/64/37/42/958643742.db2.gz ZWKKYWRGQQTPEA-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001322089899 960078451 /nfs/dbraw/zinc/07/84/51/960078451.db2.gz VYOKFEXIHAGPID-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001522169932 970405995 /nfs/dbraw/zinc/40/59/95/970405995.db2.gz CGQAGTWLEXNUOR-NWDGAFQWSA-N 2 0 251.374 1.071 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001496057238 972779142 /nfs/dbraw/zinc/77/91/42/972779142.db2.gz XGSBYFGBHCQZKJ-ZIAGYGMSSA-N 2 0 267.417 1.482 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001496639979 973003518 /nfs/dbraw/zinc/00/35/18/973003518.db2.gz WGHHMYWGJOAPPI-AWEZNQCLSA-N 2 0 269.433 1.633 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001496642278 973007535 /nfs/dbraw/zinc/00/75/35/973007535.db2.gz NLABPKCWYHMRNC-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497219423 973248937 /nfs/dbraw/zinc/24/89/37/973248937.db2.gz AKOXTQPLLYIBBN-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH+]1CCC(C)(CNC(=O)Cn2ccnc2)CC1 ZINC001500465356 974438966 /nfs/dbraw/zinc/43/89/66/974438966.db2.gz AZVODJOYQCDJEK-UHFFFAOYSA-N 2 0 288.395 1.125 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001503023145 974809018 /nfs/dbraw/zinc/80/90/18/974809018.db2.gz KVUWIGSHKXPBND-HUUCEWRRSA-N 2 0 279.428 1.319 10 30 CDEERP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001505445985 974881042 /nfs/dbraw/zinc/88/10/42/974881042.db2.gz BDSIKGCPSYMUPP-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001506613861 975190285 /nfs/dbraw/zinc/19/02/85/975190285.db2.gz HHJOQBYRMALXIX-OCCSQVGLSA-N 2 0 285.407 1.289 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001506884633 975245533 /nfs/dbraw/zinc/24/55/33/975245533.db2.gz BTARIQFCHLIYFU-AULYBMBSSA-N 2 0 296.802 1.579 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC001507435108 975470730 /nfs/dbraw/zinc/47/07/30/975470730.db2.gz KSKHEYIRBVGXRI-OAHLLOKOSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001398455747 975994289 /nfs/dbraw/zinc/99/42/89/975994289.db2.gz LCJIATVTTQCKQI-OLZOCXBDSA-N 2 0 285.819 1.175 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001402082493 976116123 /nfs/dbraw/zinc/11/61/23/976116123.db2.gz USIGGTQFIOXLIE-ZDUSSCGKSA-N 2 0 287.835 1.660 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001492952677 976225783 /nfs/dbraw/zinc/22/57/83/976225783.db2.gz KNECAHGZFLYNEM-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001407555538 976686898 /nfs/dbraw/zinc/68/68/98/976686898.db2.gz VOBMEXPUYBKVJQ-QWHCGFSZSA-N 2 0 287.835 1.517 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001381292222 976746655 /nfs/dbraw/zinc/74/66/55/976746655.db2.gz HAWLFPDWTLQYCA-KBPBESRZSA-N 2 0 299.846 1.804 10 30 CDEERP C=CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001569845052 1170015249 /nfs/dbraw/zinc/01/52/49/1170015249.db2.gz QVEXWSPJWGOETA-UONOGXRCSA-N 2 0 279.428 1.198 10 30 CDEERP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001675139137 1174079137 /nfs/dbraw/zinc/07/91/37/1174079137.db2.gz AMIRRWHNUKNCAW-CVEARBPZSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001676461407 1174229085 /nfs/dbraw/zinc/22/90/85/1174229085.db2.gz JWPSBGZKLVWVRL-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001676756071 1174266816 /nfs/dbraw/zinc/26/68/16/1174266816.db2.gz PKVHETHWLLXRDT-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001569914642 1170037076 /nfs/dbraw/zinc/03/70/76/1170037076.db2.gz IERUXVKCECUSJK-LSDHHAIUSA-N 2 0 277.412 1.025 10 30 CDEERP C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001570192550 1170103689 /nfs/dbraw/zinc/10/36/89/1170103689.db2.gz KOFXXGGUNWXMBN-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001571637347 1170504490 /nfs/dbraw/zinc/50/44/90/1170504490.db2.gz UNPSJBYINGPWTC-KGLIPLIRSA-N 2 0 281.444 1.470 10 30 CDEERP C=CC[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000651720799 398165407 /nfs/dbraw/zinc/16/54/07/398165407.db2.gz KXICETWIPGUSPD-ZIAGYGMSSA-N 2 0 252.402 1.778 10 30 CDEERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437182 342905465 /nfs/dbraw/zinc/90/54/65/342905465.db2.gz IZOMTOICZFVRQH-GJZGRUSLSA-N 2 0 294.443 1.634 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CC#N ZINC000597051977 343442047 /nfs/dbraw/zinc/44/20/47/343442047.db2.gz HSCNXQWZOIYJMI-CABCVRRESA-N 2 0 294.443 1.411 10 30 CDEERP C[C@H](C[C@](C)(N)C#N)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000084293404 178846087 /nfs/dbraw/zinc/84/60/87/178846087.db2.gz KFMXZUMVRJDBKE-OCCSQVGLSA-N 2 0 252.406 1.280 10 30 CDEERP C[C@@H]1CN(C)C[C@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809515 346441026 /nfs/dbraw/zinc/44/10/26/346441026.db2.gz DVDZZZAKORASID-CZUORRHYSA-N 2 0 299.422 1.462 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001660476562 1172219462 /nfs/dbraw/zinc/21/94/62/1172219462.db2.gz WBPHUFCRDJTBGH-HZPDHXFCSA-N 2 0 293.455 1.709 10 30 CDEERP N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000528394110 367822366 /nfs/dbraw/zinc/82/23/66/367822366.db2.gz XNTZKYPEVGDUON-JKSUJKDBSA-N 2 0 291.439 1.849 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCC[NH2+]1 ZINC000638515070 370542250 /nfs/dbraw/zinc/54/22/50/370542250.db2.gz XOQJRNFYCIRAQV-WFASDCNBSA-N 2 0 263.385 1.086 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000417545932 377933942 /nfs/dbraw/zinc/93/39/42/377933942.db2.gz YQFFYXFWWIHHHH-VXGBXAGGSA-N 2 0 268.405 1.062 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000417545926 377934236 /nfs/dbraw/zinc/93/42/36/377934236.db2.gz YQFFYXFWWIHHHH-NEPJUHHUSA-N 2 0 268.405 1.062 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]([NH3+])c2ccccc2)CCC[NH2+]1 ZINC000662412436 412981037 /nfs/dbraw/zinc/98/10/37/412981037.db2.gz FMSXOJXSZIHIQE-GOEBONIOSA-N 2 0 273.380 1.501 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001663276193 1172666324 /nfs/dbraw/zinc/66/63/24/1172666324.db2.gz GBPWHZINSCTYHN-INIZCTEOSA-N 2 0 299.434 1.823 10 30 CDEERP [NH2+]=C(NCC1([NH+]2CCSCC2)CCCC1)NC1CC1 ZINC000058340962 390499090 /nfs/dbraw/zinc/49/90/90/390499090.db2.gz WCGILZVJZSSEMG-UHFFFAOYSA-N 2 0 282.457 1.415 10 30 CDEERP N#Cc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000335538844 390657392 /nfs/dbraw/zinc/65/73/92/390657392.db2.gz MXNIPXFUUHCYBX-IYBDPMFKSA-N 2 0 255.365 1.990 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[NH+](C3CCCC3)CC2)CCC[NH2+]1 ZINC000662673854 413288426 /nfs/dbraw/zinc/28/84/26/413288426.db2.gz TVDKVARBFFHBES-KRWDZBQOSA-N 2 0 291.439 1.772 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001665658951 1173033010 /nfs/dbraw/zinc/03/30/10/1173033010.db2.gz GOEQITDPCJUVTB-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[C@]1(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CCC[NH2+]1 ZINC000662814692 413535466 /nfs/dbraw/zinc/53/54/66/413535466.db2.gz LFKVPTBQXGXSLZ-BPLDGKMQSA-N 2 0 265.401 1.128 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](CCC)C2)CCC[NH2+]1 ZINC000662910264 413694335 /nfs/dbraw/zinc/69/43/35/413694335.db2.gz MZERZCVLQOBGIZ-UKRRQHHQSA-N 2 0 265.401 1.285 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001665810226 1173065326 /nfs/dbraw/zinc/06/53/26/1173065326.db2.gz RCMUHRMFVXHPKU-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCC[C@H]2CO)s1 ZINC000043683940 175092269 /nfs/dbraw/zinc/09/22/69/175092269.db2.gz SRMTZCHRBQEBQT-NSHDSACASA-N 2 0 250.367 1.015 10 30 CDEERP CN[C@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190778 176069003 /nfs/dbraw/zinc/06/90/03/176069003.db2.gz RFZZTTQRACUQQJ-GJZGRUSLSA-N 2 0 266.433 1.542 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)CCCC[NH+]1CCCC1 ZINC001667064467 1173229753 /nfs/dbraw/zinc/22/97/53/1173229753.db2.gz XOJWGVIHWUCQQF-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001670139321 1173657281 /nfs/dbraw/zinc/65/72/81/1173657281.db2.gz XRGXDVPVUSGOCE-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001671297675 1173674464 /nfs/dbraw/zinc/67/44/64/1173674464.db2.gz FOYGFNQBJNNQKF-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001671431736 1173682865 /nfs/dbraw/zinc/68/28/65/1173682865.db2.gz KKZKCBQQULTOCZ-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001672306214 1173765139 /nfs/dbraw/zinc/76/51/39/1173765139.db2.gz UPMJBYQQTPWATO-ZBFHGGJFSA-N 2 0 291.439 1.036 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001673929721 1173899605 /nfs/dbraw/zinc/89/96/05/1173899605.db2.gz WIQCMDHMHFWTSI-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C[N@@H+]1CCC[C@@H]2C[NH+](CCOCCC#N)CC[C@@H]21 ZINC000339020152 327008136 /nfs/dbraw/zinc/00/81/36/327008136.db2.gz DEXQYVKTUBALAK-KGLIPLIRSA-N 2 0 251.374 1.333 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001691481668 1159375473 /nfs/dbraw/zinc/37/54/73/1159375473.db2.gz QVPHCGMVXVBCCZ-GASCZTMLSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001691499723 1159849961 /nfs/dbraw/zinc/84/99/61/1159849961.db2.gz AIGVGVONQJCGOQ-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001482692189 1160626262 /nfs/dbraw/zinc/62/62/62/1160626262.db2.gz GNIUVBIELLDXAB-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001713221987 1178441099 /nfs/dbraw/zinc/44/10/99/1178441099.db2.gz UXNHOPXNWCRMLP-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001725383555 1181982101 /nfs/dbraw/zinc/98/21/01/1181982101.db2.gz BLGTZTWZYGAZET-HUUCEWRRSA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000334892423 526428805 /nfs/dbraw/zinc/42/88/05/526428805.db2.gz NGPDCXJSKPCSPF-HIFRSBDPSA-N 2 0 292.427 1.030 10 30 CDEERP [NH3+]CC#Cc1cccc(OCC[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000049608328 527152887 /nfs/dbraw/zinc/15/28/87/527152887.db2.gz RHRVSTJWIDOZJS-INIZCTEOSA-N 2 0 288.391 1.080 10 30 CDEERP [NH3+]CC#Cc1ccccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000052763110 527153837 /nfs/dbraw/zinc/15/38/37/527153837.db2.gz WZEYCHBDCKHYNZ-KRWDZBQOSA-N 2 0 272.392 1.734 10 30 CDEERP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001690128848 1175383574 /nfs/dbraw/zinc/38/35/74/1175383574.db2.gz UOACLHSOJSBHAC-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941215172 613520679 /nfs/dbraw/zinc/52/06/79/613520679.db2.gz MRXPZJFBLGIZEG-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000910935549 618585134 /nfs/dbraw/zinc/58/51/34/618585134.db2.gz KEGOVXCAJRZKRD-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000900208500 622803664 /nfs/dbraw/zinc/80/36/64/622803664.db2.gz KBFBJFQQUCKMQF-ZDUSSCGKSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000900619885 623304649 /nfs/dbraw/zinc/30/46/49/623304649.db2.gz WBJOAXCIONSEBY-OAHLLOKOSA-N 2 0 279.428 1.581 10 30 CDEERP C=CC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H](C)COC ZINC000903768195 626085141 /nfs/dbraw/zinc/08/51/41/626085141.db2.gz LTUVXMQFEGNSQW-QLFBSQMISA-N 2 0 268.401 1.278 10 30 CDEERP C=CCCC[N@@H+](CC)CCC(=O)N1CC[NH2+]CC1 ZINC000903850462 626115913 /nfs/dbraw/zinc/11/59/13/626115913.db2.gz RLUKTNHHHYEMML-UHFFFAOYSA-N 2 0 253.390 1.096 10 30 CDEERP C[C@@]1(CN2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]C1 ZINC000903987747 626174655 /nfs/dbraw/zinc/17/46/55/626174655.db2.gz IHNZTVIOZZOTRF-NVXWUHKLSA-N 2 0 299.422 1.829 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000907851117 627858450 /nfs/dbraw/zinc/85/84/50/627858450.db2.gz NHERETOHEULJPQ-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000912521750 630057066 /nfs/dbraw/zinc/05/70/66/630057066.db2.gz GKTATGGINWYDHM-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCS[C@@H](C(C)C)C1 ZINC000153780636 631869316 /nfs/dbraw/zinc/86/93/16/631869316.db2.gz DUJDIOVIIGQPMK-UONOGXRCSA-N 2 0 298.500 1.729 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001670478215 1158616591 /nfs/dbraw/zinc/61/65/91/1158616591.db2.gz BZZHGQOQASEVCJ-JKSUJKDBSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001670540241 1158634033 /nfs/dbraw/zinc/63/40/33/1158634033.db2.gz XQZWKWHLUIZQAS-MRXNPFEDSA-N 2 0 293.455 1.777 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC ZINC001670586948 1158653921 /nfs/dbraw/zinc/65/39/21/1158653921.db2.gz CTDDSFFMZIHSAG-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001670687092 1158691026 /nfs/dbraw/zinc/69/10/26/1158691026.db2.gz OVNLDMNTEBRDFF-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001690821372 1158777920 /nfs/dbraw/zinc/77/79/20/1158777920.db2.gz VEVCEGUDFYOJGW-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001699933687 1158849648 /nfs/dbraw/zinc/84/96/48/1158849648.db2.gz JABRUKXJIGCTHP-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001671318793 1159928832 /nfs/dbraw/zinc/92/88/32/1159928832.db2.gz OOOKBHBSPUZHSU-HNNXBMFYSA-N 2 0 289.423 1.219 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC001631421616 1166276048 /nfs/dbraw/zinc/27/60/48/1166276048.db2.gz ZPVIPHCNCQUZBG-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001568450933 1169294830 /nfs/dbraw/zinc/29/48/30/1169294830.db2.gz FPTWPVMOWMTYNO-HUUCEWRRSA-N 2 0 279.428 1.223 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001569268829 1169741873 /nfs/dbraw/zinc/74/18/73/1169741873.db2.gz KKPOIWZDURBJNQ-GASCZTMLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001569682257 1169966060 /nfs/dbraw/zinc/96/60/60/1169966060.db2.gz WBYRECPPFNZYOR-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH2+][C@H](CCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001571351283 1170378964 /nfs/dbraw/zinc/37/89/64/1170378964.db2.gz NRGZDOZZNBIGNA-MRXNPFEDSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001656398928 1171819703 /nfs/dbraw/zinc/81/97/03/1171819703.db2.gz RKLHYKQHQLXTJN-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001660783979 1172277560 /nfs/dbraw/zinc/27/75/60/1172277560.db2.gz HDCRJWMADCUBER-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001661177891 1172348038 /nfs/dbraw/zinc/34/80/38/1172348038.db2.gz PHQGTUJQFSPATA-MRXNPFEDSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001661921805 1172467994 /nfs/dbraw/zinc/46/79/94/1172467994.db2.gz LWWOUVKWCASERA-BZUAXINKSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001663457284 1172698821 /nfs/dbraw/zinc/69/88/21/1172698821.db2.gz HTKAPAYTFRBVIP-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC001669662503 1173582744 /nfs/dbraw/zinc/58/27/44/1173582744.db2.gz WUEOOGHJWJBODA-KBPBESRZSA-N 2 0 267.417 1.224 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC1 ZINC001673205889 1173836592 /nfs/dbraw/zinc/83/65/92/1173836592.db2.gz JWMUBQPZECCLAY-CQSZACIVSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001674938217 1174039779 /nfs/dbraw/zinc/03/97/79/1174039779.db2.gz KACCHJMJNQIVFC-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001689317113 1175145027 /nfs/dbraw/zinc/14/50/27/1175145027.db2.gz WEQGMKHELKFOKT-PMPSAXMXSA-N 2 0 293.455 1.709 10 30 CDEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001692131751 1175681475 /nfs/dbraw/zinc/68/14/75/1175681475.db2.gz IYKSWUNAKNGRGU-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001698576140 1175852329 /nfs/dbraw/zinc/85/23/29/1175852329.db2.gz VPTALPFKNUOCGS-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001698573803 1175852700 /nfs/dbraw/zinc/85/27/00/1175852700.db2.gz DGVQCDKCJAFWIQ-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001698970611 1176000880 /nfs/dbraw/zinc/00/08/80/1176000880.db2.gz AUSRHSYNJGSRDH-HUUCEWRRSA-N 2 0 279.428 1.082 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001699967174 1176700327 /nfs/dbraw/zinc/70/03/27/1176700327.db2.gz GUUWELNKTSNXHN-ZBFHGGJFSA-N 2 0 291.439 1.036 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001700279651 1176829219 /nfs/dbraw/zinc/82/92/19/1176829219.db2.gz WXGZZVHVXZZZNQ-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001700321033 1176848337 /nfs/dbraw/zinc/84/83/37/1176848337.db2.gz VRBTWWXNKROTFP-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001700407945 1176910638 /nfs/dbraw/zinc/91/06/38/1176910638.db2.gz GCAVHOJVGCECLG-GJZGRUSLSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001700428994 1176925144 /nfs/dbraw/zinc/92/51/44/1176925144.db2.gz BQUZLKSOEDOLDJ-JKSUJKDBSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001700517237 1176991848 /nfs/dbraw/zinc/99/18/48/1176991848.db2.gz KMXUUVAYFXGUCZ-HZPDHXFCSA-N 2 0 293.455 1.757 10 30 CDEERP C=CC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001713558393 1178646350 /nfs/dbraw/zinc/64/63/50/1178646350.db2.gz ILGPMZQICZISET-HZPDHXFCSA-N 2 0 291.439 1.770 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001713704622 1178716832 /nfs/dbraw/zinc/71/68/32/1178716832.db2.gz ZFCMZJIYDIMKLX-DLBZAZTESA-N 2 0 299.418 1.409 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001713719682 1178721485 /nfs/dbraw/zinc/72/14/85/1178721485.db2.gz FWRZTYWMEXRNRA-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001713918214 1178842779 /nfs/dbraw/zinc/84/27/79/1178842779.db2.gz SUSGRZUUUFWHHR-UHFFFAOYSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001713939772 1178866819 /nfs/dbraw/zinc/86/68/19/1178866819.db2.gz NDLBBXCNUMJCCG-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C=CCC[NH+]1CC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001714523211 1179180741 /nfs/dbraw/zinc/18/07/41/1179180741.db2.gz HCBFTBXNWILYPP-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714573145 1179229743 /nfs/dbraw/zinc/22/97/43/1179229743.db2.gz UKYCJXWDDFIVMW-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001714705305 1179346358 /nfs/dbraw/zinc/34/63/58/1179346358.db2.gz DBMYBZOPJIYQAR-QWHCGFSZSA-N 2 0 287.835 1.517 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001714899279 1179444489 /nfs/dbraw/zinc/44/44/89/1179444489.db2.gz NRIORMIUNPQJRB-HZPDHXFCSA-N 2 0 291.439 1.132 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001715008025 1179506904 /nfs/dbraw/zinc/50/69/04/1179506904.db2.gz DRPFVAAUBIRVNP-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001715033494 1179518641 /nfs/dbraw/zinc/51/86/41/1179518641.db2.gz XMUFUSAFMRILOW-HZPDHXFCSA-N 2 0 293.455 1.826 10 30 CDEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715081575 1179544120 /nfs/dbraw/zinc/54/41/20/1179544120.db2.gz OBMVLCKIJMFCAC-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC(=C)C)CC1 ZINC001715378093 1179649207 /nfs/dbraw/zinc/64/92/07/1179649207.db2.gz PASTZKBVCYCXDQ-HNNXBMFYSA-N 2 0 291.439 1.344 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001715414106 1179661138 /nfs/dbraw/zinc/66/11/38/1179661138.db2.gz CKIFXEWLRHPUAV-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001716062069 1180027229 /nfs/dbraw/zinc/02/72/29/1180027229.db2.gz SAMOAUZZZQKDMU-KGLIPLIRSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716295179 1180146363 /nfs/dbraw/zinc/14/63/63/1180146363.db2.gz KDJNCDMOFBIURV-QGZUEGPWSA-N 2 0 291.439 1.556 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001716377987 1180174419 /nfs/dbraw/zinc/17/44/19/1180174419.db2.gz DQPPUGURURKPTH-YPDHSMTDSA-N 2 0 279.428 1.697 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001716440102 1180211863 /nfs/dbraw/zinc/21/18/63/1180211863.db2.gz OTYXDVIIVOOFDF-LBPRGKRZSA-N 2 0 253.390 1.141 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001716443857 1180212936 /nfs/dbraw/zinc/21/29/36/1180212936.db2.gz NFDOMWJFQXLGNY-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001716691309 1180372426 /nfs/dbraw/zinc/37/24/26/1180372426.db2.gz GXXSHLRNMWXTDS-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001716777417 1180411265 /nfs/dbraw/zinc/41/12/65/1180411265.db2.gz LBGYUJZWCRGBGC-LSDHHAIUSA-N 2 0 277.412 1.073 10 30 CDEERP C=CC[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001716849943 1180438344 /nfs/dbraw/zinc/43/83/44/1180438344.db2.gz HWKVEXPVORPLNW-DZGCQCFKSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCOCC1 ZINC001717266531 1180594977 /nfs/dbraw/zinc/59/49/77/1180594977.db2.gz DYSLTMROXDYVKQ-UHFFFAOYSA-N 2 0 297.443 1.159 10 30 CDEERP C=CC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001717348074 1180624720 /nfs/dbraw/zinc/62/47/20/1180624720.db2.gz SVFKEMOVFCYFMM-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001717798657 1180861119 /nfs/dbraw/zinc/86/11/19/1180861119.db2.gz RUPFDVKVSBPMJI-UONOGXRCSA-N 2 0 279.428 1.483 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001717801745 1180863865 /nfs/dbraw/zinc/86/38/65/1180863865.db2.gz HZLCRWSWMSFPAQ-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001717811175 1180871621 /nfs/dbraw/zinc/87/16/21/1180871621.db2.gz BVKHURSRSAYIOO-UONOGXRCSA-N 2 0 277.412 1.073 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC001717895289 1180918295 /nfs/dbraw/zinc/91/82/95/1180918295.db2.gz ISVCJSDPGHGLBF-HNNXBMFYSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001722916969 1181494245 /nfs/dbraw/zinc/49/42/45/1181494245.db2.gz QCKSUFQNLUUGRG-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001723517437 1181582440 /nfs/dbraw/zinc/58/24/40/1181582440.db2.gz KEJFADQAECYZBX-HNNXBMFYSA-N 2 0 291.439 1.533 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CCc1cncn1C ZINC001723972572 1181627097 /nfs/dbraw/zinc/62/70/97/1181627097.db2.gz YYYBVKFDPOXNSJ-HNNXBMFYSA-N 2 0 290.411 1.509 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001724250201 1181658374 /nfs/dbraw/zinc/65/83/74/1181658374.db2.gz NDBLWYKYFHTGPI-HOCLYGCPSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001724658358 1181717262 /nfs/dbraw/zinc/71/72/62/1181717262.db2.gz WDBYVSCTVYQLBZ-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001724785612 1181753747 /nfs/dbraw/zinc/75/37/47/1181753747.db2.gz IQEODGIJNZDBKL-CQSZACIVSA-N 2 0 279.428 1.674 10 30 CDEERP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001724859797 1181780195 /nfs/dbraw/zinc/78/01/95/1181780195.db2.gz JMQBDPXCEHKDAQ-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001725663126 1182091232 /nfs/dbraw/zinc/09/12/32/1182091232.db2.gz SNIQXTMFHQERAI-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001731271756 1182289271 /nfs/dbraw/zinc/28/92/71/1182289271.db2.gz UFFRFVXTMIQWRV-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001731379932 1182347244 /nfs/dbraw/zinc/34/72/44/1182347244.db2.gz ZJASQMUODFVNNP-CQSZACIVSA-N 2 0 289.423 1.075 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001731727785 1182535475 /nfs/dbraw/zinc/53/54/75/1182535475.db2.gz ZSMYMYOLVBCFLV-MGPQQGTHSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001731833597 1182616743 /nfs/dbraw/zinc/61/67/43/1182616743.db2.gz HRZLBPFWJUXKSD-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001732183836 1182837523 /nfs/dbraw/zinc/83/75/23/1182837523.db2.gz ALWCJNHSZFVNCB-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001732497104 1182989728 /nfs/dbraw/zinc/98/97/28/1182989728.db2.gz XNIGEECHCPZFIR-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001732680203 1183079637 /nfs/dbraw/zinc/07/96/37/1183079637.db2.gz FAKPYERVZPGSIA-NEPJUHHUSA-N 2 0 273.808 1.318 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001732741334 1183104968 /nfs/dbraw/zinc/10/49/68/1183104968.db2.gz DJLJFNYJXGPEDS-AWEZNQCLSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH+]1CCC(C)(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001733363163 1183410703 /nfs/dbraw/zinc/41/07/03/1183410703.db2.gz LRKGFIJVOANYBM-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001733464492 1183440426 /nfs/dbraw/zinc/44/04/26/1183440426.db2.gz ROMXIBFKVWSMRX-DOTOQJQBSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001733601763 1183476676 /nfs/dbraw/zinc/47/66/76/1183476676.db2.gz RDOIARRNALQUIU-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001733692160 1183498078 /nfs/dbraw/zinc/49/80/78/1183498078.db2.gz USAFVAUHNOVHST-WKILWMFISA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001733762174 1183523941 /nfs/dbraw/zinc/52/39/41/1183523941.db2.gz HSHPZSBYKBIRPB-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001733931908 1183573043 /nfs/dbraw/zinc/57/30/43/1183573043.db2.gz KBPPODUTNJKDDI-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733998618 1183608313 /nfs/dbraw/zinc/60/83/13/1183608313.db2.gz ZUZZXDYZNYZDQY-KGLIPLIRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[C@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262602 698004809 /nfs/dbraw/zinc/00/48/09/698004809.db2.gz QCXLQZZHQXHKHG-HOCLYGCPSA-N 2 0 275.396 1.919 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N(C)C[C@H]1CCOC1 ZINC000261708670 698069004 /nfs/dbraw/zinc/06/90/04/698069004.db2.gz UYBBCZBYHQJMRN-KGLIPLIRSA-N 2 0 282.432 1.014 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000876739877 698300889 /nfs/dbraw/zinc/30/08/89/698300889.db2.gz JUMMRFHACIYKQL-CHWSQXEVSA-N 2 0 287.835 1.693 10 30 CDEERP C#CC[N@@H+](C)CCCNC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864467676 698301968 /nfs/dbraw/zinc/30/19/68/698301968.db2.gz WPMHIJAQWCWSQR-CYBMUJFWSA-N 2 0 250.390 1.198 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000876913285 698853551 /nfs/dbraw/zinc/85/35/51/698853551.db2.gz PSFNZXBFOFJXSM-FRRDWIJNSA-N 2 0 285.819 1.447 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1CC ZINC001569342114 1167556537 /nfs/dbraw/zinc/55/65/37/1167556537.db2.gz FRFXKKDQPRRCFG-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP CCNC(NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)=[NH+]CC ZINC000303268123 848074906 /nfs/dbraw/zinc/07/49/06/848074906.db2.gz YFLQUQOOJFUXMY-BETUJISGSA-N 2 0 270.421 1.061 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000876876752 848136199 /nfs/dbraw/zinc/13/61/99/848136199.db2.gz ULYDDQOTHZWIJU-NEPJUHHUSA-N 2 0 273.808 1.399 10 30 CDEERP C=CCOCC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125506 848598155 /nfs/dbraw/zinc/59/81/55/848598155.db2.gz CXQRHEZIQRZMDI-UHFFFAOYSA-N 2 0 270.417 1.479 10 30 CDEERP C[C@@H](CNC(=[NH2+])NCCc1cccs1)C[NH+]1CCCC1 ZINC000303885803 849049562 /nfs/dbraw/zinc/04/95/62/849049562.db2.gz NJKHLHYVXGYXBR-ZDUSSCGKSA-N 2 0 294.468 1.927 10 30 CDEERP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1C#N ZINC000925615474 849985894 /nfs/dbraw/zinc/98/58/94/849985894.db2.gz HDNUPGUIAXLATA-GJZGRUSLSA-N 2 0 271.364 1.926 10 30 CDEERP C#CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001566604066 1168353960 /nfs/dbraw/zinc/35/39/60/1168353960.db2.gz NLMSEPZULKLBIS-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001566825802 1168432766 /nfs/dbraw/zinc/43/27/66/1168432766.db2.gz BEZAROFWUVHQOW-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001566929430 1168471061 /nfs/dbraw/zinc/47/10/61/1168471061.db2.gz ZZMPIAXPZXWBHR-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001282448559 894382842 /nfs/dbraw/zinc/38/28/42/894382842.db2.gz AAHONKHAROVWBW-KKUMJFAQSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)C1CC1 ZINC001266433695 894851093 /nfs/dbraw/zinc/85/10/93/894851093.db2.gz JHKGBIVBDARMHE-IUODEOHRSA-N 2 0 288.395 1.096 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001266437699 894881550 /nfs/dbraw/zinc/88/15/50/894881550.db2.gz JNHDMIMYMGOQHL-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001266517478 895195138 /nfs/dbraw/zinc/19/51/38/895195138.db2.gz KICUVBJWKKTRGP-GJZGRUSLSA-N 2 0 297.418 1.128 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001266804509 896077719 /nfs/dbraw/zinc/07/77/19/896077719.db2.gz JDBZUNUKJWAFPD-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266804645 896079484 /nfs/dbraw/zinc/07/94/84/896079484.db2.gz LVSIXBPSGAVAIV-AWEZNQCLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001567550063 1168846822 /nfs/dbraw/zinc/84/68/22/1168846822.db2.gz YKZMZBPLQFOIKQ-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001267283128 897463025 /nfs/dbraw/zinc/46/30/25/897463025.db2.gz ILMUBGBIPSCALB-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481111210 898877280 /nfs/dbraw/zinc/87/72/80/898877280.db2.gz GHAPDVSZXNBTKM-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001567681165 1168914046 /nfs/dbraw/zinc/91/40/46/1168914046.db2.gz NOTUYMPKPNRRIB-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001267820698 899809410 /nfs/dbraw/zinc/80/94/10/899809410.db2.gz HHIAVIBGABBGON-HZPDHXFCSA-N 2 0 293.455 1.757 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCC1 ZINC001267841375 899854125 /nfs/dbraw/zinc/85/41/25/899854125.db2.gz RMLWFPBMOUATOB-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001267910474 899954271 /nfs/dbraw/zinc/95/42/71/899954271.db2.gz JLIYLAHESBGFGD-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C(C)C ZINC001481349869 900475826 /nfs/dbraw/zinc/47/58/26/900475826.db2.gz CZJGFYYJBMEBDM-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567730836 1168938963 /nfs/dbraw/zinc/93/89/63/1168938963.db2.gz FJPDHXCIMWLMRK-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268404205 902002252 /nfs/dbraw/zinc/00/22/52/902002252.db2.gz RPKKBDLETWEQPH-CVEARBPZSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)COC1CC[NH+](C)CC1 ZINC001481862774 902231160 /nfs/dbraw/zinc/23/11/60/902231160.db2.gz AFBVDZIBEYRCPL-AWEZNQCLSA-N 2 0 297.443 1.158 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001481941871 902382701 /nfs/dbraw/zinc/38/27/01/902382701.db2.gz YIAQTTJVGXAOBU-BBRMVZONSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001482062169 902576068 /nfs/dbraw/zinc/57/60/68/902576068.db2.gz FRSWZHPYAHSEQX-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001268711273 902996625 /nfs/dbraw/zinc/99/66/25/902996625.db2.gz WJSDPTKZYQWVQT-GOEBONIOSA-N 2 0 289.423 1.960 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001269069637 903391258 /nfs/dbraw/zinc/39/12/58/903391258.db2.gz UFCJUKZCCIPYOO-GJZGRUSLSA-N 2 0 290.411 1.991 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001269089302 903408586 /nfs/dbraw/zinc/40/85/86/903408586.db2.gz NOBDJYDRGCXJDW-AWEZNQCLSA-N 2 0 277.412 1.285 10 30 CDEERP C=CCC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001269332884 903703652 /nfs/dbraw/zinc/70/36/52/903703652.db2.gz RMBXVRQQUUJDPJ-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001269348737 903722359 /nfs/dbraw/zinc/72/23/59/903722359.db2.gz NDTLKBFQZGTPGW-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001269522933 903891387 /nfs/dbraw/zinc/89/13/87/903891387.db2.gz WDZIXFVEJWEOOL-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482298425 904753079 /nfs/dbraw/zinc/75/30/79/904753079.db2.gz JQNLSEXXQVYYRF-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001271402433 906303388 /nfs/dbraw/zinc/30/33/88/906303388.db2.gz FBIWYZHVPKPJLE-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001567940278 1169084456 /nfs/dbraw/zinc/08/44/56/1169084456.db2.gz CYLRRYODHOCBQM-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001483076516 909289289 /nfs/dbraw/zinc/28/92/89/909289289.db2.gz UAYAJTULOOUQJN-WAYWQWQTSA-N 2 0 277.412 1.002 10 30 CDEERP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001568106381 1169137087 /nfs/dbraw/zinc/13/70/87/1169137087.db2.gz UPFONKGWQSECRF-RBSFLKMASA-N 2 0 299.434 1.869 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001483908433 915204226 /nfs/dbraw/zinc/20/42/26/915204226.db2.gz KFRXFGFHLRYCPJ-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484098605 915431694 /nfs/dbraw/zinc/43/16/94/915431694.db2.gz WYNYCEDBERSWNU-KRWDZBQOSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001484120886 915444378 /nfs/dbraw/zinc/44/43/78/915444378.db2.gz UAAYNGPKVYHERJ-INIZCTEOSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001484466506 915793864 /nfs/dbraw/zinc/79/38/64/915793864.db2.gz UKRLPYGKSNVISL-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001484904959 916258524 /nfs/dbraw/zinc/25/85/24/916258524.db2.gz LUYOCPNTPWQYTI-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001484922837 916281892 /nfs/dbraw/zinc/28/18/92/916281892.db2.gz XUDOXGVNIPRKHX-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001485039698 916419514 /nfs/dbraw/zinc/41/95/14/916419514.db2.gz WAAVRQYYASHGFH-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485165717 916620819 /nfs/dbraw/zinc/62/08/19/916620819.db2.gz YSZBSZOEBGBTOP-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001273053071 921835744 /nfs/dbraw/zinc/83/57/44/921835744.db2.gz SUMKOCUZRVOWQQ-CVEARBPZSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CCc2c[nH]cn2)C1 ZINC001276389985 936739052 /nfs/dbraw/zinc/73/90/52/936739052.db2.gz VOAHYNKJSIHZKR-ZDUSSCGKSA-N 2 0 290.411 1.745 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001273146673 923352352 /nfs/dbraw/zinc/35/23/52/923352352.db2.gz BHYHMFVUZQGADW-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001273185548 923922377 /nfs/dbraw/zinc/92/23/77/923922377.db2.gz YLYMNQLHXXDFJU-MRXNPFEDSA-N 2 0 293.455 1.760 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001491251113 936883488 /nfs/dbraw/zinc/88/34/88/936883488.db2.gz FDVIDUUAELSZKS-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001273204252 924840977 /nfs/dbraw/zinc/84/09/77/924840977.db2.gz KWSCUHCJXKOADE-CYBMUJFWSA-N 2 0 255.406 1.387 10 30 CDEERP C=CCC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001490281789 927076314 /nfs/dbraw/zinc/07/63/14/927076314.db2.gz NDIFGVLQFIQMIQ-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCN(C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001568497656 1169330831 /nfs/dbraw/zinc/33/08/31/1169330831.db2.gz MBJHPSPDNBNPMF-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001136671091 931246832 /nfs/dbraw/zinc/24/68/32/931246832.db2.gz XHBQWVGRUFFGOU-UHFFFAOYSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001274279117 931487525 /nfs/dbraw/zinc/48/75/25/931487525.db2.gz CZNPBJVTSHXOHW-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001293032947 931602700 /nfs/dbraw/zinc/60/27/00/931602700.db2.gz GZTOCSASQQQZCU-HNNXBMFYSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001274974150 931621791 /nfs/dbraw/zinc/62/17/91/931621791.db2.gz PKNWMBOHWXUMOY-CQSZACIVSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001275279897 931722701 /nfs/dbraw/zinc/72/27/01/931722701.db2.gz APEUVWXRAKNTOL-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001275583764 931894238 /nfs/dbraw/zinc/89/42/38/931894238.db2.gz YPKKSKVBHYAPJN-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001276432225 939717471 /nfs/dbraw/zinc/71/74/71/939717471.db2.gz KYCNAOIVCIJAKQ-GDBMZVCRSA-N 2 0 295.471 1.975 10 30 CDEERP C=CCC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001276922912 941700848 /nfs/dbraw/zinc/70/08/48/941700848.db2.gz DLPVYVLTWXGAIA-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001281666130 942607352 /nfs/dbraw/zinc/60/73/52/942607352.db2.gz WDKYUPAGKRSKPI-LSDHHAIUSA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001281939579 942633933 /nfs/dbraw/zinc/63/39/33/942633933.db2.gz JDIYZQBYGBGWOW-HRCADAONSA-N 2 0 291.439 1.273 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001283620564 942951093 /nfs/dbraw/zinc/95/10/93/942951093.db2.gz WKMQCBCBZQCXJP-GFCCVEGCSA-N 2 0 293.436 1.493 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001283898706 943022733 /nfs/dbraw/zinc/02/27/33/943022733.db2.gz KXUFMJDXLNLHAS-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)C[NH+](C)C1CCC1)C(C)C ZINC001284536270 943204625 /nfs/dbraw/zinc/20/46/25/943204625.db2.gz FKVHSUPKIXEAJC-UHFFFAOYSA-N 2 0 279.428 1.273 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001263864305 944012164 /nfs/dbraw/zinc/01/21/64/944012164.db2.gz RXBOHBFOVWYGHW-KKUMJFAQSA-N 2 0 279.428 1.080 10 30 CDEERP C=C(Cl)CN(C)CCCNC(=O)Cn1cncc1C ZINC001265012928 944200255 /nfs/dbraw/zinc/20/02/55/944200255.db2.gz VOQUEQZAJWGRMJ-UHFFFAOYSA-N 2 0 284.791 1.382 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265217369 944280968 /nfs/dbraw/zinc/28/09/68/944280968.db2.gz VHDKTOPDPUYMRP-CYBMUJFWSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001265304181 944334526 /nfs/dbraw/zinc/33/45/26/944334526.db2.gz WYDJRSKEBXZXTQ-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001266075482 944667129 /nfs/dbraw/zinc/66/71/29/944667129.db2.gz NWPGKAXINIYBDE-JKSUJKDBSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)C[NH+]1CCC(C)(NC(=O)Cn2ccnc2C)CC1 ZINC001278095190 944766574 /nfs/dbraw/zinc/76/65/74/944766574.db2.gz VWTCUSCKKMIRCL-UHFFFAOYSA-N 2 0 290.411 1.738 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001479338747 971300967 /nfs/dbraw/zinc/30/09/67/971300967.db2.gz ZKKJDYHGRRSJDT-MCIONIFRSA-N 2 0 299.846 1.565 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001479636898 971354577 /nfs/dbraw/zinc/35/45/77/971354577.db2.gz HLCKABWBUPTYPY-XHSDSOJGSA-N 2 0 293.455 1.565 10 30 CDEERP C=CCCC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479779424 971413248 /nfs/dbraw/zinc/41/32/48/971413248.db2.gz OIRINEMEZMKINY-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001331601184 947980802 /nfs/dbraw/zinc/98/08/02/947980802.db2.gz SEORRVFOAQWVGN-AWEZNQCLSA-N 2 0 297.443 1.110 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001479852312 971453290 /nfs/dbraw/zinc/45/32/90/971453290.db2.gz FCKIFQOBPCATGC-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001479859295 971456762 /nfs/dbraw/zinc/45/67/62/971456762.db2.gz CEFWLPPKVVSVOP-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001480088483 971569946 /nfs/dbraw/zinc/56/99/46/971569946.db2.gz IXDQZGHWUFMQDZ-HUUCEWRRSA-N 2 0 281.444 1.683 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480088481 971572778 /nfs/dbraw/zinc/57/27/78/971572778.db2.gz IXDQZGHWUFMQDZ-CABCVRRESA-N 2 0 281.444 1.683 10 30 CDEERP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001480320364 971668616 /nfs/dbraw/zinc/66/86/16/971668616.db2.gz UEZJUJPHKLGAEF-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001480595538 971799672 /nfs/dbraw/zinc/79/96/72/971799672.db2.gz CBTWMHJBTMADBG-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001480740550 971855895 /nfs/dbraw/zinc/85/58/95/971855895.db2.gz ZWUPROYXJUCCOX-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001480834472 971897144 /nfs/dbraw/zinc/89/71/44/971897144.db2.gz PIESKLGGJRXAMG-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001491960597 955545007 /nfs/dbraw/zinc/54/50/07/955545007.db2.gz WKYYSIWHGLDHDA-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001329170580 955732137 /nfs/dbraw/zinc/73/21/37/955732137.db2.gz IOASSMHXFLKECD-QWHCGFSZSA-N 2 0 255.406 1.387 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001492476658 955910825 /nfs/dbraw/zinc/91/08/25/955910825.db2.gz ZOLZOKXLUJVYNN-UHFFFAOYSA-N 2 0 297.443 1.111 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001329459044 955927508 /nfs/dbraw/zinc/92/75/08/955927508.db2.gz GUBKYWPCOOJTBW-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317398145 956260240 /nfs/dbraw/zinc/26/02/40/956260240.db2.gz OMLZDXUMMLGPFM-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001330620724 956521956 /nfs/dbraw/zinc/52/19/56/956521956.db2.gz ADGDWJRUOAUMLX-HDJSIYSDSA-N 2 0 296.374 1.374 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494173764 972193365 /nfs/dbraw/zinc/19/33/65/972193365.db2.gz WTHCRSGNNCTGTP-JKSUJKDBSA-N 2 0 295.471 1.929 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001366469087 956855294 /nfs/dbraw/zinc/85/52/94/956855294.db2.gz DEOBFSFKJWVNSP-OLZOCXBDSA-N 2 0 287.835 1.708 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001316823993 957048769 /nfs/dbraw/zinc/04/87/69/957048769.db2.gz NBKFQEDGXGQKKG-OAHLLOKOSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001331936489 957349454 /nfs/dbraw/zinc/34/94/54/957349454.db2.gz CCNJOWNMLWXWAK-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CCOCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001332197608 957474583 /nfs/dbraw/zinc/47/45/83/957474583.db2.gz DHLUKRFWFDNUNJ-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317478671 957501467 /nfs/dbraw/zinc/50/14/67/957501467.db2.gz SNPOOPZNUZRJGO-OAHLLOKOSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001317679973 957636739 /nfs/dbraw/zinc/63/67/39/957636739.db2.gz KIMNGNRXSPZAIP-AWEZNQCLSA-N 2 0 291.439 1.485 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C(C)(C)C ZINC001332807038 957850400 /nfs/dbraw/zinc/85/04/00/957850400.db2.gz NMSDJLAQACBWMG-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001319231719 958446901 /nfs/dbraw/zinc/44/69/01/958446901.db2.gz WZSCZAUITWSZTR-HUUCEWRRSA-N 2 0 281.444 1.636 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001320079325 958921279 /nfs/dbraw/zinc/92/12/79/958921279.db2.gz VCVAAQFNJLGTBE-INIZCTEOSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001322183611 960122511 /nfs/dbraw/zinc/12/25/11/960122511.db2.gz SWTPAQHCHKKQSW-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001322793364 960323154 /nfs/dbraw/zinc/32/31/54/960323154.db2.gz SFARSAUGBPDGJP-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001495480124 972517089 /nfs/dbraw/zinc/51/70/89/972517089.db2.gz SADJDXBUFDPZJX-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001421449921 963612496 /nfs/dbraw/zinc/61/24/96/963612496.db2.gz MYALEHIGEPLOGJ-WCQYABFASA-N 2 0 287.835 1.565 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001569431989 1169879511 /nfs/dbraw/zinc/87/95/11/1169879511.db2.gz KOKJHTMRUBMUML-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)C[N@@H+](C)CCC)C1 ZINC001447820918 966887266 /nfs/dbraw/zinc/88/72/66/966887266.db2.gz NIZVQUPSSMYBGY-UHFFFAOYSA-N 2 0 287.835 1.565 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001448497306 967130443 /nfs/dbraw/zinc/13/04/43/967130443.db2.gz RMPFTEAWSRVHKI-AAVRWANBSA-N 2 0 299.846 1.564 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001544168275 967343102 /nfs/dbraw/zinc/34/31/02/967343102.db2.gz FFLBNQIRUPEYPM-GASCZTMLSA-N 2 0 295.471 1.979 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001495814957 972648771 /nfs/dbraw/zinc/64/87/71/972648771.db2.gz QCUZURZGRVVKOC-CVEARBPZSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001496095911 972792335 /nfs/dbraw/zinc/79/23/35/972792335.db2.gz QUEXZYIERJYMOH-QWHCGFSZSA-N 2 0 287.835 1.660 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001496569355 972973551 /nfs/dbraw/zinc/97/35/51/972973551.db2.gz IWBNQYZZFRLLLT-CABCVRRESA-N 2 0 281.444 1.326 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001497762772 973490139 /nfs/dbraw/zinc/49/01/39/973490139.db2.gz JRNLLXVAVIVVDF-MWWKQMNYSA-N 2 0 291.439 1.392 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001497762776 973490789 /nfs/dbraw/zinc/49/07/89/973490789.db2.gz JRNLLXVAVIVVDF-WLMCBFPDSA-N 2 0 291.439 1.392 10 30 CDEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)CC[NH+](C)C ZINC001498106913 973684115 /nfs/dbraw/zinc/68/41/15/973684115.db2.gz YWEJKVCUAXPZKU-HNNXBMFYSA-N 2 0 287.407 1.084 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001498151764 973715345 /nfs/dbraw/zinc/71/53/45/973715345.db2.gz PKNWMBOHWXUMOY-AWEZNQCLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001498325634 973833762 /nfs/dbraw/zinc/83/37/62/973833762.db2.gz HZYJILZYMPYPNM-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001498771376 974057828 /nfs/dbraw/zinc/05/78/28/974057828.db2.gz YFZORDVSISBDIT-HOTGVXAUSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001498832888 974072394 /nfs/dbraw/zinc/07/23/94/974072394.db2.gz QHRRQEVGSJYHFF-HOTGVXAUSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001501090508 974531148 /nfs/dbraw/zinc/53/11/48/974531148.db2.gz DPDFSARNHQDTDH-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001502135046 974705067 /nfs/dbraw/zinc/70/50/67/974705067.db2.gz GBOZHWNTOYZKQC-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001406076925 976005118 /nfs/dbraw/zinc/00/51/18/976005118.db2.gz VOOZZZGTNIFQGE-STQMWFEESA-N 2 0 287.835 1.421 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001406781076 976404487 /nfs/dbraw/zinc/40/44/87/976404487.db2.gz FECTYEKFEZPZKK-CYBMUJFWSA-N 2 0 285.819 1.319 10 30 CDEERP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001570720639 1170252404 /nfs/dbraw/zinc/25/24/04/1170252404.db2.gz WZCHSWGKVBBYFW-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001571152462 1170339822 /nfs/dbraw/zinc/33/98/22/1170339822.db2.gz LXVBFKJWIAYACV-KOMQPUFPSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001571370896 1170389811 /nfs/dbraw/zinc/38/98/11/1170389811.db2.gz FOVPELJZAKROCJ-GJZGRUSLSA-N 2 0 279.428 1.032 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001571398146 1170411556 /nfs/dbraw/zinc/41/15/56/1170411556.db2.gz PCWBMJZUICEYIB-OAHLLOKOSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001657063379 1171922395 /nfs/dbraw/zinc/92/23/95/1171922395.db2.gz MAWOPAGLZSEPNM-OWCLPIDISA-N 2 0 291.439 1.273 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000594435509 342898879 /nfs/dbraw/zinc/89/88/79/342898879.db2.gz GNZCMQSCVPPUIC-QWHCGFSZSA-N 2 0 266.389 1.046 10 30 CDEERP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]1CCC(C)CC1 ZINC000594438245 342906439 /nfs/dbraw/zinc/90/64/39/342906439.db2.gz NNVCCVGKOYZDBR-HUUCEWRRSA-N 2 0 294.443 1.634 10 30 CDEERP CCC[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600714489 342244059 /nfs/dbraw/zinc/24/40/59/342244059.db2.gz NBNSIDGKHDNAMB-AWEZNQCLSA-N 2 0 265.401 1.505 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001660476561 1172220288 /nfs/dbraw/zinc/22/02/88/1172220288.db2.gz WBPHUFCRDJTBGH-HOTGVXAUSA-N 2 0 293.455 1.709 10 30 CDEERP C=CC[C@@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000651750057 412806294 /nfs/dbraw/zinc/80/62/94/412806294.db2.gz UTNNBVACQTZXAT-HZPDHXFCSA-N 2 0 265.445 1.958 10 30 CDEERP C[C@H]([NH3+])[C@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423454799 374383954 /nfs/dbraw/zinc/38/39/54/374383954.db2.gz ZPHKMOTYZBAAMN-KBPBESRZSA-N 2 0 286.423 1.848 10 30 CDEERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](C#N)CCC#N)CC1 ZINC000069849171 376739798 /nfs/dbraw/zinc/73/97/98/376739798.db2.gz FCBFJOLTXGGQBA-HOCLYGCPSA-N 2 0 292.427 1.455 10 30 CDEERP CC#CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001663257787 1172661090 /nfs/dbraw/zinc/66/10/90/1172661090.db2.gz GWRKVERJUCZEED-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001663548178 1172719987 /nfs/dbraw/zinc/71/99/87/1172719987.db2.gz PETRGWFCXGHPML-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001663612564 1172733785 /nfs/dbraw/zinc/73/37/85/1172733785.db2.gz HTNSSXKTABLVCJ-AWEZNQCLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[C@]1(C(=O)NCCCC[NH+](C)C)CCC[NH2+]1 ZINC000662682147 413304714 /nfs/dbraw/zinc/30/47/14/413304714.db2.gz GNOLIEBPQVNYAC-CQSZACIVSA-N 2 0 253.390 1.143 10 30 CDEERP C=CC[C@@]1(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000662684172 413306717 /nfs/dbraw/zinc/30/67/17/413306717.db2.gz BCFXYVUTWOQGBK-ZBFHGGJFSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCN1CCC([NH2+]C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000038042037 174044488 /nfs/dbraw/zinc/04/44/88/174044488.db2.gz SJCRRXVARBAWNN-MRXNPFEDSA-N 2 0 277.456 1.796 10 30 CDEERP CC[NH+]1CCC(N(C)Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043684239 175093292 /nfs/dbraw/zinc/09/32/92/175093292.db2.gz RJAQWHFWEAEYKT-UHFFFAOYSA-N 2 0 291.464 1.974 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001666914532 1173207865 /nfs/dbraw/zinc/20/78/65/1173207865.db2.gz VKXBKEZMGXSPOV-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000662402487 424042568 /nfs/dbraw/zinc/04/25/68/424042568.db2.gz ABPTYNUVUUHMGB-VNHYZAJKSA-N 2 0 265.401 1.189 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001667058910 1173227933 /nfs/dbraw/zinc/22/79/33/1173227933.db2.gz LGYASJKTZCDDKF-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001667076276 1173230263 /nfs/dbraw/zinc/23/02/63/1173230263.db2.gz LJMMAGZSSXYKHP-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[C@]1(C(=O)NCC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662693073 424325865 /nfs/dbraw/zinc/32/58/65/424325865.db2.gz NUODYEBYXIQGHO-MRXNPFEDSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC(C)([NH3+])CC2)CCC[NH2+]1 ZINC000662769513 424429344 /nfs/dbraw/zinc/42/93/44/424429344.db2.gz GDPHUMAHPRYHLY-AWEZNQCLSA-N 2 0 251.374 1.025 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCC[NH2+]1 ZINC000662771314 424432608 /nfs/dbraw/zinc/43/26/08/424432608.db2.gz GBBCFHNPTGPDMY-QGZVFWFLSA-N 2 0 291.439 1.677 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001668326751 1173397229 /nfs/dbraw/zinc/39/72/29/1173397229.db2.gz VJRDUYODHLHXIG-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001669645062 1173580449 /nfs/dbraw/zinc/58/04/49/1173580449.db2.gz NAPGOIHBJCZLDZ-KKUMJFAQSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001673946451 1173900943 /nfs/dbraw/zinc/90/09/43/1173900943.db2.gz NJWFNEZYGQQNTJ-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP CC[C@H](C)NC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000262316596 330005782 /nfs/dbraw/zinc/00/57/82/330005782.db2.gz BLTYUSLYFRUGBY-HIFPTAJRSA-N 2 0 252.406 1.706 10 30 CDEERP CN(C)C(=[NH+]C1CC([NH+]2CCCCC2)C1)N(C)C ZINC000262490534 330017321 /nfs/dbraw/zinc/01/73/21/330017321.db2.gz UUTLLGVCBGUCRS-UHFFFAOYSA-N 2 0 252.406 1.483 10 30 CDEERP C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262491143 330017447 /nfs/dbraw/zinc/01/74/47/330017447.db2.gz VAJFBLLSFQVFGG-RDBSUJKOSA-N 2 0 282.432 1.142 10 30 CDEERP C=C(C)CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000568986364 334849833 /nfs/dbraw/zinc/84/98/33/334849833.db2.gz ARDZSQFZEGFELA-UHFFFAOYSA-N 2 0 252.402 1.779 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001731372338 1159293812 /nfs/dbraw/zinc/29/38/12/1159293812.db2.gz LGAGFUGNWOOTSZ-OLZOCXBDSA-N 2 0 271.380 1.043 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001691473759 1159333821 /nfs/dbraw/zinc/33/38/21/1159333821.db2.gz HHPWUEMSNTXNLJ-CQSZACIVSA-N 2 0 267.417 1.178 10 30 CDEERP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001267593584 1159495945 /nfs/dbraw/zinc/49/59/45/1159495945.db2.gz NXMZGVKXHFHPRK-HNNXBMFYSA-N 2 0 279.428 1.132 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001481269171 1159601965 /nfs/dbraw/zinc/60/19/65/1159601965.db2.gz BVCXKMXLAOMZPU-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001269083899 1160029593 /nfs/dbraw/zinc/02/95/93/1160029593.db2.gz HQJJBYSETBDMQD-CVEARBPZSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001671383207 1160155318 /nfs/dbraw/zinc/15/53/18/1160155318.db2.gz ACXFSPDKKJTUKG-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@H]([NH+](CC)CC)C2)CCC[NH2+]1 ZINC000662672500 482418707 /nfs/dbraw/zinc/41/87/07/482418707.db2.gz BXDJLHAWWBQAGD-HOCLYGCPSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001691564135 1160701351 /nfs/dbraw/zinc/70/13/51/1160701351.db2.gz BQWXQNRISZSVDK-CQSZACIVSA-N 2 0 269.433 1.587 10 30 CDEERP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001671040550 1161411612 /nfs/dbraw/zinc/41/16/12/1161411612.db2.gz ZEHWUCNKXCYJJZ-INIZCTEOSA-N 2 0 279.428 1.439 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001715052180 1179530209 /nfs/dbraw/zinc/53/02/09/1179530209.db2.gz MFHZPCHDRHJMCF-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]CCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001717686405 1180791202 /nfs/dbraw/zinc/79/12/02/1180791202.db2.gz BYXVATQLFFHMKC-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP [NH3+]CC#Cc1cc(C[N@@H+]2CCC[C@H](O)C2)ccc1F ZINC000049609817 527147010 /nfs/dbraw/zinc/14/70/10/527147010.db2.gz MIYPMCQKEXBUHX-AWEZNQCLSA-N 2 0 262.328 1.093 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000764520637 575918540 /nfs/dbraw/zinc/91/85/40/575918540.db2.gz AEZDRPBTJNESLT-UHFFFAOYSA-N 2 0 293.386 1.621 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001690260880 1175412862 /nfs/dbraw/zinc/41/28/62/1175412862.db2.gz CKJYQZDOCAKINZ-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940753043 613262540 /nfs/dbraw/zinc/26/25/40/613262540.db2.gz INHMLQSQMQRKMR-KFWWJZLASA-N 2 0 291.439 1.177 10 30 CDEERP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842624 613263660 /nfs/dbraw/zinc/26/36/60/613263660.db2.gz KUDDVCGKVBZOPH-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC1([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)CCC1 ZINC000933302801 617390207 /nfs/dbraw/zinc/39/02/07/617390207.db2.gz XLPIIEYYIFTIPK-UHFFFAOYSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000939808675 613874349 /nfs/dbraw/zinc/87/43/49/613874349.db2.gz GBGXOSDYZLHLJW-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000900056705 622666464 /nfs/dbraw/zinc/66/64/64/622666464.db2.gz ZTNYRIQVJUVLRM-GASCZTMLSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000900734614 623430032 /nfs/dbraw/zinc/43/00/32/623430032.db2.gz IQWNMCGLVMWUNQ-AWEZNQCLSA-N 2 0 283.460 1.977 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000900852637 623568000 /nfs/dbraw/zinc/56/80/00/623568000.db2.gz JMFSNINGFBMUCM-INIZCTEOSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000900959391 623728610 /nfs/dbraw/zinc/72/86/10/623728610.db2.gz XMBWDKVEXOKWFF-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCOc1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000904397859 626287673 /nfs/dbraw/zinc/28/76/73/626287673.db2.gz IQUSHNZQSMQBRN-UHFFFAOYSA-N 2 0 275.396 1.246 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CC)CCC[NH+](C)C ZINC000907649667 627784250 /nfs/dbraw/zinc/78/42/50/627784250.db2.gz HUSIPYUPKWLMKR-UHFFFAOYSA-N 2 0 255.406 1.295 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000911202399 629199791 /nfs/dbraw/zinc/19/97/91/629199791.db2.gz WWOHTRBZSXCVGE-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N(C)C[C@@H]1CCOC1 ZINC000156117092 630175102 /nfs/dbraw/zinc/17/51/02/630175102.db2.gz UYBBCZBYHQJMRN-KBPBESRZSA-N 2 0 282.432 1.014 10 30 CDEERP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001691170497 1158942450 /nfs/dbraw/zinc/94/24/50/1158942450.db2.gz CNQMSXWPUCASPN-CVEARBPZSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691322176 1159015674 /nfs/dbraw/zinc/01/56/74/1159015674.db2.gz YYRJCGPPXDLYOF-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267776805 1159597497 /nfs/dbraw/zinc/59/74/97/1159597497.db2.gz NDGLBERDFWKXIP-KBPBESRZSA-N 2 0 267.417 1.435 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001268541699 1159966319 /nfs/dbraw/zinc/96/63/19/1159966319.db2.gz HQYMQGQDJBOGNI-LAYDCRAFSA-N 2 0 265.401 1.165 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001482665017 1160594798 /nfs/dbraw/zinc/59/47/98/1160594798.db2.gz YOCUOQDDAUVBGD-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH+]1CC[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001567708920 1168929317 /nfs/dbraw/zinc/92/93/17/1168929317.db2.gz CWHXBTWTBWLMMW-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001568999585 1169586951 /nfs/dbraw/zinc/58/69/51/1169586951.db2.gz UHIHURJZKHKDGY-CHWSQXEVSA-N 2 0 255.406 1.387 10 30 CDEERP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001569303803 1169755807 /nfs/dbraw/zinc/75/58/07/1169755807.db2.gz XCSYSXSQMADROZ-BMFZPTHFSA-N 2 0 293.455 1.777 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001570540806 1170184297 /nfs/dbraw/zinc/18/42/97/1170184297.db2.gz TURXSQATRTXMPL-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001570849595 1170300840 /nfs/dbraw/zinc/30/08/40/1170300840.db2.gz KFXCTIKWLVCSGU-AWEZNQCLSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CCC[NH+](C)C ZINC001571366371 1170388328 /nfs/dbraw/zinc/38/83/28/1170388328.db2.gz NVYHYJFCMGXIGL-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001571494122 1170453721 /nfs/dbraw/zinc/45/37/21/1170453721.db2.gz ZVBAWAYBQPYIJL-CHWSQXEVSA-N 2 0 253.390 1.092 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001656176113 1171784280 /nfs/dbraw/zinc/78/42/80/1171784280.db2.gz OTJJWWYZRQDPAI-YHUYYLMFSA-N 2 0 291.439 1.367 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001662099858 1172484785 /nfs/dbraw/zinc/48/47/85/1172484785.db2.gz SWGRZNFGNMIIQN-NRXISQOPSA-N 2 0 277.412 1.121 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001662642134 1172574170 /nfs/dbraw/zinc/57/41/70/1172574170.db2.gz ZWYNZWMCWLERMI-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001664044030 1172805398 /nfs/dbraw/zinc/80/53/98/1172805398.db2.gz LGSDILZZIOMZKG-UHFFFAOYSA-N 2 0 265.401 1.239 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001664813014 1172913866 /nfs/dbraw/zinc/91/38/66/1172913866.db2.gz WSVXSSQDYULWFS-CQSZACIVSA-N 2 0 288.395 1.146 10 30 CDEERP C#CCC[NH+]1CCC(NC(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001586802511 1172959679 /nfs/dbraw/zinc/95/96/79/1172959679.db2.gz JICLMEYIZVNQNO-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001666992268 1173217401 /nfs/dbraw/zinc/21/74/01/1173217401.db2.gz MTAKWUARJHYMPB-LSDHHAIUSA-N 2 0 281.444 1.567 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001674672183 1173984864 /nfs/dbraw/zinc/98/48/64/1173984864.db2.gz DZZKUMBNUVWXLI-QWHCGFSZSA-N 2 0 267.417 1.530 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001689939462 1175318330 /nfs/dbraw/zinc/31/83/30/1175318330.db2.gz TVBJSKKLDMZBFD-UHFFFAOYSA-N 2 0 291.439 1.324 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001690388584 1175456837 /nfs/dbraw/zinc/45/68/37/1175456837.db2.gz MAVYKXDKLOTKQI-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001690501536 1175483556 /nfs/dbraw/zinc/48/35/56/1175483556.db2.gz MMUCTHAMQQMKIH-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001691924689 1175652214 /nfs/dbraw/zinc/65/22/14/1175652214.db2.gz LLVZAYFYZKGBIR-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001698564556 1175846594 /nfs/dbraw/zinc/84/65/94/1175846594.db2.gz WKAVNMCJGVFGMC-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001698711354 1175900986 /nfs/dbraw/zinc/90/09/86/1175900986.db2.gz NCEPORVMSBAOBK-HDJSIYSDSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001698945228 1175991881 /nfs/dbraw/zinc/99/18/81/1175991881.db2.gz GNWRHTBBDGHQFO-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001699065611 1176065721 /nfs/dbraw/zinc/06/57/21/1176065721.db2.gz QRYLWXKNZGSYHY-GJZGRUSLSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001699591899 1176490719 /nfs/dbraw/zinc/49/07/19/1176490719.db2.gz FJOKIXBSXRYGCP-OAHLLOKOSA-N 2 0 291.439 1.533 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001700204415 1176797066 /nfs/dbraw/zinc/79/70/66/1176797066.db2.gz XLQCJMBCDNRUHC-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001700448664 1176933331 /nfs/dbraw/zinc/93/33/31/1176933331.db2.gz TYROHODMRJXZGE-AWEZNQCLSA-N 2 0 281.444 1.588 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001700646100 1177054361 /nfs/dbraw/zinc/05/43/61/1177054361.db2.gz SGPXDVNYMCJJIU-LDKKBFSKSA-N 2 0 291.439 1.367 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001713413548 1178546280 /nfs/dbraw/zinc/54/62/80/1178546280.db2.gz YNBZBINLQOMKFK-OAHLLOKOSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001713517327 1178620646 /nfs/dbraw/zinc/62/06/46/1178620646.db2.gz HWOGVJHGWMLTTB-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001713644115 1178693699 /nfs/dbraw/zinc/69/36/99/1178693699.db2.gz WPNFUIDZKPCILW-UONOGXRCSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001713949018 1178879643 /nfs/dbraw/zinc/87/96/43/1178879643.db2.gz BEKUOOUDAPZBEP-YHUYYLMFSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001714584885 1179243814 /nfs/dbraw/zinc/24/38/14/1179243814.db2.gz IRRGZSBITOCDLW-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001714847170 1179420130 /nfs/dbraw/zinc/42/01/30/1179420130.db2.gz JQBAJPJKOJYTAJ-INIZCTEOSA-N 2 0 299.418 1.715 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001714876919 1179433425 /nfs/dbraw/zinc/43/34/25/1179433425.db2.gz ORAVBOGJLXCTPJ-HUUCEWRRSA-N 2 0 281.444 1.587 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714931503 1179460360 /nfs/dbraw/zinc/46/03/60/1179460360.db2.gz ARYGNAQLFQTGMG-HOTGVXAUSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001715043732 1179524401 /nfs/dbraw/zinc/52/44/01/1179524401.db2.gz JYGBESQVXKLBND-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715155215 1179565408 /nfs/dbraw/zinc/56/54/08/1179565408.db2.gz XKCAPVARAKARPD-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001715157916 1179566704 /nfs/dbraw/zinc/56/67/04/1179566704.db2.gz OFIWAUFMCXBJND-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CCC)CCCC1 ZINC001715308426 1179618318 /nfs/dbraw/zinc/61/83/18/1179618318.db2.gz SRNRWNRKRSLHBQ-UHFFFAOYSA-N 2 0 293.455 1.760 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001715319074 1179620473 /nfs/dbraw/zinc/62/04/73/1179620473.db2.gz FUZMPHKNYASEDE-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001715476875 1179677708 /nfs/dbraw/zinc/67/77/08/1179677708.db2.gz PRQDQLFYMYEXPN-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)C(C)C ZINC001715730794 1179782150 /nfs/dbraw/zinc/78/21/50/1179782150.db2.gz SFZPKQRVNDHDRV-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001715768425 1179797370 /nfs/dbraw/zinc/79/73/70/1179797370.db2.gz WDBVLGDQCSJIPO-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001715879785 1179894583 /nfs/dbraw/zinc/89/45/83/1179894583.db2.gz VOKOTMQVLGRBRM-KXPUMZMLSA-N 2 0 291.439 1.535 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001715940871 1179930746 /nfs/dbraw/zinc/93/07/46/1179930746.db2.gz ADJQXYPQVCULNZ-CQSZACIVSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001716572157 1180289043 /nfs/dbraw/zinc/28/90/43/1180289043.db2.gz CPKNBYFHFWIITA-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001716769712 1180407037 /nfs/dbraw/zinc/40/70/37/1180407037.db2.gz FEHCHHSNZASNIH-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CCCC1 ZINC001716824405 1180425498 /nfs/dbraw/zinc/42/54/98/1180425498.db2.gz CDTGXFAMHJKMEX-MRXNPFEDSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001716897513 1180456243 /nfs/dbraw/zinc/45/62/43/1180456243.db2.gz CQKAGBSKOPOUPF-KRWDZBQOSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001716901143 1180458443 /nfs/dbraw/zinc/45/84/43/1180458443.db2.gz CDUJWRCBHYJWAM-INIZCTEOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001716901013 1180458740 /nfs/dbraw/zinc/45/87/40/1180458740.db2.gz ZDNAVCGWNZUCMK-INIZCTEOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717097761 1180530514 /nfs/dbraw/zinc/53/05/14/1180530514.db2.gz SPQXQZAREHIXAK-AWEZNQCLSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001717811173 1180870089 /nfs/dbraw/zinc/87/00/89/1180870089.db2.gz BVKHURSRSAYIOO-KBPBESRZSA-N 2 0 277.412 1.073 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001717901099 1180920231 /nfs/dbraw/zinc/92/02/31/1180920231.db2.gz VZNJSZNKNLYESJ-OAHLLOKOSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001722917171 1181494151 /nfs/dbraw/zinc/49/41/51/1181494151.db2.gz QUBJFUCDOOVAMU-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)Cc1cn2c(n1)CCCC2 ZINC001723029783 1181512684 /nfs/dbraw/zinc/51/26/84/1181512684.db2.gz NZCAWTYUUHEXTN-UHFFFAOYSA-N 2 0 290.411 1.386 10 30 CDEERP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001723610271 1181592223 /nfs/dbraw/zinc/59/22/23/1181592223.db2.gz WBYYGQRBMKLTDQ-INIZCTEOSA-N 2 0 291.439 1.132 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001723905370 1181621201 /nfs/dbraw/zinc/62/12/01/1181621201.db2.gz FYOXGKIBVNYTOD-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001723939165 1181625381 /nfs/dbraw/zinc/62/53/81/1181625381.db2.gz CMFJPDLIGGSTTJ-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+]1CCC(C)(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001724014637 1181629640 /nfs/dbraw/zinc/62/96/40/1181629640.db2.gz QZVCJDVNHFMWSG-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C1CCCC1 ZINC001724096815 1181635830 /nfs/dbraw/zinc/63/58/30/1181635830.db2.gz ZAKPHAIQPZWCRS-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001724312814 1181663228 /nfs/dbraw/zinc/66/32/28/1181663228.db2.gz LSMZSNOATIZZFW-DOTOQJQBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001725056662 1181837569 /nfs/dbraw/zinc/83/75/69/1181837569.db2.gz DSGXKRAJNLDHSP-AWEZNQCLSA-N 2 0 265.401 1.191 10 30 CDEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725384037 1181982984 /nfs/dbraw/zinc/98/29/84/1181982984.db2.gz DDBVFAUPPDTFKL-GOEBONIOSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001725494877 1182023390 /nfs/dbraw/zinc/02/33/90/1182023390.db2.gz JWORLTLCASKVFR-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001725602730 1182070076 /nfs/dbraw/zinc/07/00/76/1182070076.db2.gz FSDKVQXWGVVMKX-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001725630476 1182077199 /nfs/dbraw/zinc/07/71/99/1182077199.db2.gz FXHKQMBXRABCDN-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001725650716 1182087504 /nfs/dbraw/zinc/08/75/04/1182087504.db2.gz DCDHELRSOLDEHN-HOTGVXAUSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001731246354 1182274437 /nfs/dbraw/zinc/27/44/37/1182274437.db2.gz VUVOOLMCDOHNBK-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC=C)C2CC2)CC1 ZINC001731411355 1182369955 /nfs/dbraw/zinc/36/99/55/1182369955.db2.gz SGNLQRFDOQCMLH-MRXNPFEDSA-N 2 0 289.423 1.002 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001731659782 1182506983 /nfs/dbraw/zinc/50/69/83/1182506983.db2.gz IKEZSWDCZDLBSI-CABCVRRESA-N 2 0 299.434 1.681 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001731663977 1182508957 /nfs/dbraw/zinc/50/89/57/1182508957.db2.gz UTCYGLZTLODOHE-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001731739049 1182542061 /nfs/dbraw/zinc/54/20/61/1182542061.db2.gz CTIGOYUYCPAVJE-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001731807128 1182597417 /nfs/dbraw/zinc/59/74/17/1182597417.db2.gz NIJOFTZEFSYZGA-UHFFFAOYSA-N 2 0 286.379 1.880 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001731961455 1182702115 /nfs/dbraw/zinc/70/21/15/1182702115.db2.gz PLHVFHMWGRXMBK-KGLIPLIRSA-N 2 0 299.846 1.804 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001732048865 1182739982 /nfs/dbraw/zinc/73/99/82/1182739982.db2.gz LCNREPPZWBBHNA-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001732255848 1182885604 /nfs/dbraw/zinc/88/56/04/1182885604.db2.gz GEDNZRYHRVHUFR-DOTOQJQBSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001733434952 1183432256 /nfs/dbraw/zinc/43/22/56/1183432256.db2.gz LBTZPNLSRZKVRB-INIZCTEOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001733724991 1183509004 /nfs/dbraw/zinc/50/90/04/1183509004.db2.gz SIPGNAICFPTQIN-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[NH+](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001734273506 1183710417 /nfs/dbraw/zinc/71/04/17/1183710417.db2.gz RUGHBKYRCYBYRM-UHFFFAOYSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001734432615 1183777444 /nfs/dbraw/zinc/77/74/44/1183777444.db2.gz NUQYRHFGPDEMOL-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001734432245 1183777515 /nfs/dbraw/zinc/77/75/15/1183777515.db2.gz LRIRJAJOBZFULO-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000876507974 705311242 /nfs/dbraw/zinc/31/12/42/705311242.db2.gz QYJVDRQNEJBMPX-GFCCVEGCSA-N 2 0 271.792 1.199 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000877180529 705350064 /nfs/dbraw/zinc/35/00/64/705350064.db2.gz ZBLBYUQJHCNXTJ-DCAQKATOSA-N 2 0 259.781 1.090 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000876510504 705396405 /nfs/dbraw/zinc/39/64/05/705396405.db2.gz UTVKGLUEJPXGSB-LLVKDONJSA-N 2 0 273.808 1.624 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000876956909 705748434 /nfs/dbraw/zinc/74/84/34/705748434.db2.gz RJMZDXHJHRHHTP-YNEHKIRRSA-N 2 0 285.819 1.589 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000880613987 705930317 /nfs/dbraw/zinc/93/03/17/705930317.db2.gz OQIBKYMZPYKAKO-GJZGRUSLSA-N 2 0 291.439 1.273 10 30 CDEERP C=C[C@@](C)(CC)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019743 705964421 /nfs/dbraw/zinc/96/44/21/705964421.db2.gz OGKKCFDQIQITEJ-INMHGKMJSA-N 2 0 295.471 1.787 10 30 CDEERP CC(C)[NH+](CCNC(=O)C#CC1CC[NH2+]CC1)C(C)C ZINC000852855246 706001688 /nfs/dbraw/zinc/00/16/88/706001688.db2.gz XIOBEAROSQQPBG-UHFFFAOYSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000877141746 709614937 /nfs/dbraw/zinc/61/49/37/709614937.db2.gz KKYOETUWONQTNO-CQSZACIVSA-N 2 0 293.798 1.418 10 30 CDEERP C=CCN1CC[C@@H]([N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866709386 709784294 /nfs/dbraw/zinc/78/42/94/709784294.db2.gz XACQRUCUWFQTKA-CZUORRHYSA-N 2 0 279.428 1.470 10 30 CDEERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(C#N)c1 ZINC000925813767 709891547 /nfs/dbraw/zinc/89/15/47/709891547.db2.gz YJRMRYGJQYLTMX-CYBMUJFWSA-N 2 0 272.396 1.632 10 30 CDEERP C#CCN(C)CCC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710976053 710048039 /nfs/dbraw/zinc/04/80/39/710048039.db2.gz DUSOSIYCXFGNHN-UHFFFAOYSA-N 2 0 295.427 1.398 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000876876867 710191182 /nfs/dbraw/zinc/19/11/82/710191182.db2.gz WFVRNNLSHJRUTJ-YPMHNXCESA-N 2 0 287.835 1.645 10 30 CDEERP CC[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)N[C@@H]1C[C@@H]1C ZINC000083901781 710314113 /nfs/dbraw/zinc/31/41/13/710314113.db2.gz QLBIVSQDQJJRHX-MELADBBJSA-N 2 0 266.433 1.682 10 30 CDEERP C=CC[C@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000878311685 710343312 /nfs/dbraw/zinc/34/33/12/710343312.db2.gz UROSWSFUDYQJID-AWEZNQCLSA-N 2 0 253.434 1.909 10 30 CDEERP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702570 710406148 /nfs/dbraw/zinc/40/61/48/710406148.db2.gz CPCDJTXTONODJA-IUODEOHRSA-N 2 0 267.417 1.374 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000876535716 710442694 /nfs/dbraw/zinc/44/26/94/710442694.db2.gz JMFYJYHMWWXVBG-ZYHUDNBSSA-N 2 0 261.797 1.336 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000876883160 710615480 /nfs/dbraw/zinc/61/54/80/710615480.db2.gz ARCHPQNMPVZLAH-RYUDHWBXSA-N 2 0 273.808 1.399 10 30 CDEERP C=C(C)[C@@H](CO)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260557 710835429 /nfs/dbraw/zinc/83/54/29/710835429.db2.gz QCRLJFQFMDXLQH-UKRRQHHQSA-N 2 0 261.369 1.529 10 30 CDEERP CCCC[N@H+](C)CCNC(=[NH2+])NC1CCCCC1 ZINC000304745184 711513749 /nfs/dbraw/zinc/51/37/49/711513749.db2.gz FCEZLUPPWGFACM-UHFFFAOYSA-N 2 0 254.422 1.955 10 30 CDEERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCNc2ccc(C#N)cn2)C1 ZINC000925893191 711612396 /nfs/dbraw/zinc/61/23/96/711612396.db2.gz MOSNOTZABSUYTA-ZIAGYGMSSA-N 2 0 287.411 1.861 10 30 CDEERP C#C[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000847023487 711635029 /nfs/dbraw/zinc/63/50/29/711635029.db2.gz CQVLFERVYNTUHF-HNNXBMFYSA-N 2 0 291.439 1.321 10 30 CDEERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(C#N)ccc1F ZINC000925815688 711638634 /nfs/dbraw/zinc/63/86/34/711638634.db2.gz YMRCNFYHWQUENK-ZDUSSCGKSA-N 2 0 265.332 1.541 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000876867810 711675746 /nfs/dbraw/zinc/67/57/46/711675746.db2.gz MQHFYUOTVFDGSR-WDEREUQCSA-N 2 0 259.781 1.105 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC001626750940 1165955489 /nfs/dbraw/zinc/95/54/89/1165955489.db2.gz NCFXRHLYHRRXKJ-INIZCTEOSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001568685409 1167539253 /nfs/dbraw/zinc/53/92/53/1167539253.db2.gz WZMFHTUTVKHOBV-GJZGRUSLSA-N 2 0 279.428 1.367 10 30 CDEERP CC#CC[NH2+]C[C@](C)(NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001568025763 1168084233 /nfs/dbraw/zinc/08/42/33/1168084233.db2.gz DKXOWFGCMIPCRV-INIZCTEOSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001566909693 1168462617 /nfs/dbraw/zinc/46/26/17/1168462617.db2.gz CWGRDEHBJBQDNU-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001266468245 894997037 /nfs/dbraw/zinc/99/70/37/894997037.db2.gz MRGWQHXOLFCBNO-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266546832 895303780 /nfs/dbraw/zinc/30/37/80/895303780.db2.gz XUXWQCBNXIRBSQ-HUUCEWRRSA-N 2 0 279.428 1.034 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266674043 895784356 /nfs/dbraw/zinc/78/43/56/895784356.db2.gz KOKYILMJYSTSHD-HZSPNIEDSA-N 2 0 265.401 1.284 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267046051 896630330 /nfs/dbraw/zinc/63/03/30/896630330.db2.gz WXJMQVITADGRCP-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001267062616 896665219 /nfs/dbraw/zinc/66/52/19/896665219.db2.gz YDCNLRAOAJWXOO-HNNXBMFYSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001267113060 896826097 /nfs/dbraw/zinc/82/60/97/896826097.db2.gz CMNKECXJNTVEID-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001267217418 897181120 /nfs/dbraw/zinc/18/11/20/897181120.db2.gz GOCHEMMPRVJWRN-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+]1CC[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001481461729 900770531 /nfs/dbraw/zinc/77/05/31/900770531.db2.gz HTDBTSDHNWLPQS-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001481630560 901523821 /nfs/dbraw/zinc/52/38/21/901523821.db2.gz LIPMRLQYGLCRRJ-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001268540013 902533268 /nfs/dbraw/zinc/53/32/68/902533268.db2.gz BDLVZINTKGZQOR-VBROQKIQSA-N 2 0 265.401 1.307 10 30 CDEERP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001284195362 902666665 /nfs/dbraw/zinc/66/66/65/902666665.db2.gz JZPDJIFACPIFQD-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001268693650 902978620 /nfs/dbraw/zinc/97/86/20/902978620.db2.gz KLDWEARNHMFABX-AWEZNQCLSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001268852457 903180392 /nfs/dbraw/zinc/18/03/92/903180392.db2.gz OCRSNPZHJJLVFR-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001269072099 903394453 /nfs/dbraw/zinc/39/44/53/903394453.db2.gz YAHZRTABCJSDPN-SOUVJXGZSA-N 2 0 279.428 1.387 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269293704 903668071 /nfs/dbraw/zinc/66/80/71/903668071.db2.gz ZVBLZKMCCAQDKA-GJZGRUSLSA-N 2 0 279.428 1.129 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH+](C)C)C2)CC1 ZINC001177526732 914747092 /nfs/dbraw/zinc/74/70/92/914747092.db2.gz NJUHLPUHSVANPM-OAHLLOKOSA-N 2 0 291.439 1.132 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001269456215 903826409 /nfs/dbraw/zinc/82/64/09/903826409.db2.gz ZAUAELSQYWCEKS-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001270194442 904435091 /nfs/dbraw/zinc/43/50/91/904435091.db2.gz SLTCFYZONSJMKY-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001270623660 904828064 /nfs/dbraw/zinc/82/80/64/904828064.db2.gz JFZGSGORQFTMMW-INIZCTEOSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001482369191 905219530 /nfs/dbraw/zinc/21/95/30/905219530.db2.gz LLMXLLSFFBUGDW-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001482454369 905627213 /nfs/dbraw/zinc/62/72/13/905627213.db2.gz WOBZGJRXUULXDU-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001482901132 908465253 /nfs/dbraw/zinc/46/52/53/908465253.db2.gz IPAMTZRWXFOFJV-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001483050436 909046550 /nfs/dbraw/zinc/04/65/50/909046550.db2.gz WJCYYAFHRBVQNY-MOEXGYKKSA-N 2 0 291.439 1.394 10 30 CDEERP C#CCC[NH2+]C[C@@](C)(NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001568025958 1169122800 /nfs/dbraw/zinc/12/28/00/1169122800.db2.gz HQVJTUQZLUXDEK-MRXNPFEDSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001568147638 1169148160 /nfs/dbraw/zinc/14/81/60/1169148160.db2.gz LCTDDJMLHLWXLK-CVEARBPZSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001483936757 915208690 /nfs/dbraw/zinc/20/86/90/915208690.db2.gz UMFXFKOKJSDKCW-OAHLLOKOSA-N 2 0 291.439 1.772 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001483936530 915211496 /nfs/dbraw/zinc/21/14/96/915211496.db2.gz OORFEMQQWFDZPC-CVEARBPZSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484056935 915376480 /nfs/dbraw/zinc/37/64/80/915376480.db2.gz DLARGWGJCAPSSY-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001485105366 916528880 /nfs/dbraw/zinc/52/88/80/916528880.db2.gz HJGLIDVCABPSQP-UHFFFAOYSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485739286 917235682 /nfs/dbraw/zinc/23/56/82/917235682.db2.gz PJZBOQAVLGRYPE-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001485894615 920556165 /nfs/dbraw/zinc/55/61/65/920556165.db2.gz OOKWUUZXSMNLKE-AWEZNQCLSA-N 2 0 293.455 1.709 10 30 CDEERP C#CC[NH2+]C1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001486483809 921060575 /nfs/dbraw/zinc/06/05/75/921060575.db2.gz REXXKQQMFIROPJ-UHFFFAOYSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001273744262 925149442 /nfs/dbraw/zinc/14/94/42/925149442.db2.gz VFTFLIOPOQFMKT-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001273771376 925502275 /nfs/dbraw/zinc/50/22/75/925502275.db2.gz FWUKJDQBQWKZCX-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001568415523 1169278497 /nfs/dbraw/zinc/27/84/97/1169278497.db2.gz XZMHTMPBNBRQKG-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001494987202 926608957 /nfs/dbraw/zinc/60/89/57/926608957.db2.gz HQKUKWCFLMJJSM-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001488870064 926725789 /nfs/dbraw/zinc/72/57/89/926725789.db2.gz PMEDBGNRDICJNX-SHTZXODSSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001488999717 926770864 /nfs/dbraw/zinc/77/08/64/926770864.db2.gz CKWBLRSGDOOBAQ-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[N@@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001490257228 927062029 /nfs/dbraw/zinc/06/20/29/927062029.db2.gz NAWJZDLIUTWCSY-CYBMUJFWSA-N 2 0 276.384 1.050 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001490324142 927120368 /nfs/dbraw/zinc/12/03/68/927120368.db2.gz CKEJXYAJQNCYFQ-HNNXBMFYSA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001490698568 927306275 /nfs/dbraw/zinc/30/62/75/927306275.db2.gz HQXHZNVGEVFHIS-CWRNSKLLSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001136669888 931253166 /nfs/dbraw/zinc/25/31/66/931253166.db2.gz UHPVFMORUVBICL-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001274654888 931531977 /nfs/dbraw/zinc/53/19/77/931531977.db2.gz POOUWOSFZFTBKC-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCOCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001275623701 931911983 /nfs/dbraw/zinc/91/19/83/931911983.db2.gz YMJANDULBKFIAI-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C#CCC[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001276001592 932221941 /nfs/dbraw/zinc/22/19/41/932221941.db2.gz GXZXRGSBSDZMES-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001276201019 932632526 /nfs/dbraw/zinc/63/25/26/932632526.db2.gz YZPFPIOWVKJDAL-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001276453116 939754656 /nfs/dbraw/zinc/75/46/56/939754656.db2.gz IQTLGRFYYUCJSK-UKRRQHHQSA-N 2 0 279.428 1.032 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001276649290 940599583 /nfs/dbraw/zinc/59/95/83/940599583.db2.gz YLQIHAVQGJDJFZ-OAHLLOKOSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001276983152 941773402 /nfs/dbraw/zinc/77/34/02/941773402.db2.gz FOBMTUATYUXZAX-YHUYYLMFSA-N 2 0 293.455 1.777 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CCC ZINC001283702923 942975353 /nfs/dbraw/zinc/97/53/53/942975353.db2.gz DFXSHMQYPQIOMN-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001284031666 943056649 /nfs/dbraw/zinc/05/66/49/943056649.db2.gz LBBSPCDPLVIZDV-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001277694120 943342856 /nfs/dbraw/zinc/34/28/56/943342856.db2.gz OXNGRKGOCZNMQD-HNNXBMFYSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001277864153 943887713 /nfs/dbraw/zinc/88/77/13/943887713.db2.gz UDOGFWGYDZLTPQ-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001277866617 943902318 /nfs/dbraw/zinc/90/23/18/943902318.db2.gz WCVVAPPHSTUEIU-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001265200140 944266958 /nfs/dbraw/zinc/26/69/58/944266958.db2.gz KMRPVGDMKMQMRG-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265453923 944394075 /nfs/dbraw/zinc/39/40/75/944394075.db2.gz AHIWIXBUVVHIQH-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265623865 944449874 /nfs/dbraw/zinc/44/98/74/944449874.db2.gz GADHUEOELYDIMD-JKSUJKDBSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001278310062 945730304 /nfs/dbraw/zinc/73/03/04/945730304.db2.gz YIZBVTKOIPYASI-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001278326402 946192326 /nfs/dbraw/zinc/19/23/26/946192326.db2.gz QEKQOWJUUAUWEU-KGLIPLIRSA-N 2 0 267.417 1.482 10 30 CDEERP C=CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001278422495 947874659 /nfs/dbraw/zinc/87/46/59/947874659.db2.gz DUJFANJUILAXRG-LSDHHAIUSA-N 2 0 297.443 1.108 10 30 CDEERP CCC[NH+]1CCC(N(C)C(=O)NCC#CC[NH+](C)C)CC1 ZINC001256578811 948353186 /nfs/dbraw/zinc/35/31/86/948353186.db2.gz DPNYGXNOAALLOS-UHFFFAOYSA-N 2 0 294.443 1.067 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001278488622 948669940 /nfs/dbraw/zinc/66/99/40/948669940.db2.gz WYRJIHKAIFGCSW-ARFHVFGLSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001569022466 1169601207 /nfs/dbraw/zinc/60/12/07/1169601207.db2.gz MHLUYCXTBVVUNE-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480224072 971636535 /nfs/dbraw/zinc/63/65/35/971636535.db2.gz NWLJIVUUCIDRAA-XQLPTFJDSA-N 2 0 281.444 1.918 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001278573120 950220685 /nfs/dbraw/zinc/22/06/85/950220685.db2.gz WEMLGCGUYBNXRC-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001480368115 971689328 /nfs/dbraw/zinc/68/93/28/971689328.db2.gz VLSCSKXQYMRZRP-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001480365901 971690152 /nfs/dbraw/zinc/69/01/52/971690152.db2.gz MXZIIVWRKSRUGW-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001480537859 971774123 /nfs/dbraw/zinc/77/41/23/971774123.db2.gz QWMXEVTYOIWTMM-CQSZACIVSA-N 2 0 289.423 1.685 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001480813466 971890680 /nfs/dbraw/zinc/89/06/80/971890680.db2.gz HFQXRMONQFOFGD-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001324817657 953589591 /nfs/dbraw/zinc/58/95/91/953589591.db2.gz KUDCOELBVRWXSH-INIZCTEOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001325561619 953947885 /nfs/dbraw/zinc/94/78/85/953947885.db2.gz LWSMMYXXBVRYGS-UONOGXRCSA-N 2 0 267.417 1.198 10 30 CDEERP C=CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001325552765 953957888 /nfs/dbraw/zinc/95/78/88/953957888.db2.gz FWQNJANQUXUERZ-UONOGXRCSA-N 2 0 267.417 1.198 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001326350800 954333013 /nfs/dbraw/zinc/33/30/13/954333013.db2.gz DBSTXHQCKXEACN-LSDHHAIUSA-N 2 0 281.444 1.587 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC001295081193 954601418 /nfs/dbraw/zinc/60/14/18/954601418.db2.gz ACUWBFJPNYVSSJ-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001327245742 954790865 /nfs/dbraw/zinc/79/08/65/954790865.db2.gz OZJPICKYZWAFHY-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001328344204 955270784 /nfs/dbraw/zinc/27/07/84/955270784.db2.gz XAQWYLXIPUFQLV-HOCLYGCPSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001491685041 955357844 /nfs/dbraw/zinc/35/78/44/955357844.db2.gz XAZHFYBBPRPWCJ-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C=CCCC[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001328915229 955551979 /nfs/dbraw/zinc/55/19/79/955551979.db2.gz INBOEJORJRJPAD-FHERZECASA-N 2 0 293.455 1.779 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001422002321 955692674 /nfs/dbraw/zinc/69/26/74/955692674.db2.gz YVKHKGUBHMVHBT-LBPRGKRZSA-N 2 0 285.819 1.271 10 30 CDEERP C#CCN(C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001492383517 955846374 /nfs/dbraw/zinc/84/63/74/955846374.db2.gz DBZCSHKYPZYVFT-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CC(=C)C)CC1 ZINC001317414772 956268836 /nfs/dbraw/zinc/26/88/36/956268836.db2.gz DDYMCCOLYUIXNM-HNNXBMFYSA-N 2 0 291.439 1.392 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001340165500 956702618 /nfs/dbraw/zinc/70/26/18/956702618.db2.gz VJGXNXJNWUIZKY-HIFRSBDPSA-N 2 0 265.401 1.272 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001329170589 956953993 /nfs/dbraw/zinc/95/39/93/956953993.db2.gz IPMRZKVJGOEVKO-STQMWFEESA-N 2 0 265.401 1.141 10 30 CDEERP CC#CC[N@@H+](CC)CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001316907322 957109921 /nfs/dbraw/zinc/10/99/21/957109921.db2.gz MFUPBKUMAUBPHU-CQSZACIVSA-N 2 0 267.417 1.178 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001316906442 957112610 /nfs/dbraw/zinc/11/26/10/957112610.db2.gz BKKMSKBQRJZGOT-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001331528968 957120268 /nfs/dbraw/zinc/12/02/68/957120268.db2.gz HTWGQLDTWPCPKY-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH+]1CCC(N(C)C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001316934470 957135470 /nfs/dbraw/zinc/13/54/70/957135470.db2.gz PPQZLWAXOAAYIQ-OAHLLOKOSA-N 2 0 297.418 1.222 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001317084678 957257688 /nfs/dbraw/zinc/25/76/88/957257688.db2.gz UUFLIEXBLLVVIK-JOCQHMNTSA-N 2 0 253.390 1.141 10 30 CDEERP C#CCC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317177003 957323553 /nfs/dbraw/zinc/32/35/53/957323553.db2.gz FRNNNAGMVBPEJJ-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001317294425 957407145 /nfs/dbraw/zinc/40/71/45/957407145.db2.gz LMPRMWDAGQUVOZ-ZDUSSCGKSA-N 2 0 275.396 1.642 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317336355 957427976 /nfs/dbraw/zinc/42/79/76/957427976.db2.gz INKUFCGWUYBKCW-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317360654 957436890 /nfs/dbraw/zinc/43/68/90/957436890.db2.gz QUBSXYLVMCDGRX-LSDHHAIUSA-N 2 0 289.423 1.123 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317366467 957439324 /nfs/dbraw/zinc/43/93/24/957439324.db2.gz QMZFRUQWDONRRY-KBPBESRZSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001318547021 958167087 /nfs/dbraw/zinc/16/70/87/958167087.db2.gz BWNHJWYMNHIQGH-CYBMUJFWSA-N 2 0 299.378 1.551 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001318854543 958283988 /nfs/dbraw/zinc/28/39/88/958283988.db2.gz JRRKBGYXSNXBAS-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494917470 972336631 /nfs/dbraw/zinc/33/66/31/972336631.db2.gz MBAIWIODLHCOKI-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H](C[NH3+])CC(C)C)CCC[NH2+]1 ZINC001333630440 958464708 /nfs/dbraw/zinc/46/47/08/958464708.db2.gz OOZRIVKIXMKSJB-JSGCOSHPSA-N 2 0 253.390 1.174 10 30 CDEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001494981853 972360861 /nfs/dbraw/zinc/36/08/61/972360861.db2.gz URKBGVLPDUMBNL-CVEARBPZSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001494981860 972362637 /nfs/dbraw/zinc/36/26/37/972362637.db2.gz URKBGVLPDUMBNL-HZPDHXFCSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001321418244 959774500 /nfs/dbraw/zinc/77/45/00/959774500.db2.gz YDDBBJAMQHEWID-JRIJJQDJSA-N 2 0 277.412 1.145 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001321543451 959845137 /nfs/dbraw/zinc/84/51/37/959845137.db2.gz RBJJFYMBOCPZAU-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1CC ZINC001569343109 1169773993 /nfs/dbraw/zinc/77/39/93/1169773993.db2.gz PCTTVYYXCWRYQO-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001322793347 960323449 /nfs/dbraw/zinc/32/34/49/960323449.db2.gz SFARSAUGBPDGJP-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1CC ZINC001323158863 960487312 /nfs/dbraw/zinc/48/73/12/960487312.db2.gz JVEZOTXRKHQHSF-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001323970009 961079398 /nfs/dbraw/zinc/07/93/98/961079398.db2.gz MGOPCDYAUSRCJC-CQSZACIVSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001324100239 961166148 /nfs/dbraw/zinc/16/61/48/961166148.db2.gz WVRUFBKABIJVDT-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#Cc1ccc(N[C@@H](C)CN(C)CCC[NH+](C)C)nc1 ZINC001338046266 961594260 /nfs/dbraw/zinc/59/42/60/961594260.db2.gz DOWMRMXOOIACKS-AWEZNQCLSA-N 2 0 274.412 1.747 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CCC[NH2+]1 ZINC001345140292 964596319 /nfs/dbraw/zinc/59/63/19/964596319.db2.gz XXXGXMZSVGZKED-CVEARBPZSA-N 2 0 277.412 1.429 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001441865411 964755066 /nfs/dbraw/zinc/75/50/66/964755066.db2.gz OGXIXHYFSIBWJQ-OLZOCXBDSA-N 2 0 287.835 1.708 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001447889750 966918776 /nfs/dbraw/zinc/91/87/76/966918776.db2.gz AZMVRIGMIXKILC-RYUDHWBXSA-N 2 0 275.824 1.564 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001569552568 1169914910 /nfs/dbraw/zinc/91/49/10/1169914910.db2.gz HDRHJPOHWRHIQE-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001357993669 969676724 /nfs/dbraw/zinc/67/67/24/969676724.db2.gz PZTFHAAVOHFKFP-MELADBBJSA-N 2 0 265.401 1.223 10 30 CDEERP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001569638813 1169949453 /nfs/dbraw/zinc/94/94/53/1169949453.db2.gz HUSOPYYDHHBOHT-HIFRSBDPSA-N 2 0 285.407 1.433 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001496238805 972852386 /nfs/dbraw/zinc/85/23/86/972852386.db2.gz NLKUVCXFKHNEAV-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001496569356 972973339 /nfs/dbraw/zinc/97/33/39/972973339.db2.gz IWBNQYZZFRLLLT-GJZGRUSLSA-N 2 0 281.444 1.326 10 30 CDEERP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001496768250 973089064 /nfs/dbraw/zinc/08/90/64/973089064.db2.gz XTAWFIFPBVWXAZ-INIZCTEOSA-N 2 0 293.455 1.522 10 30 CDEERP C[NH+](C)CCC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001418492001 973894298 /nfs/dbraw/zinc/89/42/98/973894298.db2.gz KIUDVWQCFRJFTG-UHFFFAOYSA-N 2 0 288.395 1.058 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001500271217 974414057 /nfs/dbraw/zinc/41/40/57/974414057.db2.gz CFPKDOSFYMEVLJ-QGZVFWFLSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001502135907 974705123 /nfs/dbraw/zinc/70/51/23/974705123.db2.gz UOYDKDVMSSFCAJ-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001502968101 974806057 /nfs/dbraw/zinc/80/60/57/974806057.db2.gz KXOBEIGRPNUEPJ-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001505434235 974877009 /nfs/dbraw/zinc/87/70/09/974877009.db2.gz NHOBAUUEKXTDNZ-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001505448291 974882710 /nfs/dbraw/zinc/88/27/10/974882710.db2.gz OIGAOFVPOPSTQT-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001505850084 975000067 /nfs/dbraw/zinc/00/00/67/975000067.db2.gz KNGQNNQZYSUYJM-UHFFFAOYSA-N 2 0 267.417 1.034 10 30 CDEERP C#CC[NH+](C)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001505969828 975065234 /nfs/dbraw/zinc/06/52/34/975065234.db2.gz PXQQCRXWMMEQKG-OAHLLOKOSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001378770357 975486210 /nfs/dbraw/zinc/48/62/10/975486210.db2.gz AYSHBKBXUPWTBZ-TZMCWYRMSA-N 2 0 299.846 1.517 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001398616889 976077656 /nfs/dbraw/zinc/07/76/56/976077656.db2.gz KUECZBVGZOCWST-TXEJJXNPSA-N 2 0 273.808 1.318 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390718810 976453936 /nfs/dbraw/zinc/45/39/36/976453936.db2.gz KYMAERBFIRRIDX-RYUDHWBXSA-N 2 0 273.808 1.175 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001569826538 1170007093 /nfs/dbraw/zinc/00/70/93/1170007093.db2.gz STYWMJQAPHWIGR-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001674681175 1173986895 /nfs/dbraw/zinc/98/68/95/1173986895.db2.gz PLNIAJLDDNPXOH-STQMWFEESA-N 2 0 267.417 1.530 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001676377245 1174216745 /nfs/dbraw/zinc/21/67/45/1174216745.db2.gz XKUSSORORJLPHB-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001677276700 1174343557 /nfs/dbraw/zinc/34/35/57/1174343557.db2.gz GCVVCNIUMPGNPS-ZDUSSCGKSA-N 2 0 279.428 1.082 10 30 CDEERP C=CCC[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001570055308 1170066876 /nfs/dbraw/zinc/06/68/76/1170066876.db2.gz VZGUIRGUAURZNU-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001570747025 1170265841 /nfs/dbraw/zinc/26/58/41/1170265841.db2.gz AXKBTYLJXPNGKG-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001570751896 1170272399 /nfs/dbraw/zinc/27/23/99/1170272399.db2.gz RKAOHTKHWMOULR-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+][C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001571351279 1170379024 /nfs/dbraw/zinc/37/90/24/1170379024.db2.gz NPWXVSCQZBFANV-JKSUJKDBSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[C@H](C)[NH2+]C1CC(N(C)C(=O)Cn2ccnc2)C1 ZINC001571666598 1170515615 /nfs/dbraw/zinc/51/56/15/1170515615.db2.gz OATRJJNPIOYOOE-NFOMZHRRSA-N 2 0 290.411 1.817 10 30 CDEERP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594435829 342899226 /nfs/dbraw/zinc/89/92/26/342899226.db2.gz ADBNUSXNMGNWAZ-UONOGXRCSA-N 2 0 280.416 1.388 10 30 CDEERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436678 342899458 /nfs/dbraw/zinc/89/94/58/342899458.db2.gz FJOXARVOSSRABU-QLFBSQMISA-N 2 0 294.443 1.777 10 30 CDEERP CCC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594440448 342907182 /nfs/dbraw/zinc/90/71/82/342907182.db2.gz CKNLSVRZFRSNQL-HNNXBMFYSA-N 2 0 294.443 1.636 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000594441689 342907796 /nfs/dbraw/zinc/90/77/96/342907796.db2.gz UUXXLUJJENTGOQ-HNNXBMFYSA-N 2 0 292.427 1.388 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000594444545 342908440 /nfs/dbraw/zinc/90/84/40/342908440.db2.gz SQBNDTJHSUQITA-OAHLLOKOSA-N 2 0 294.443 1.765 10 30 CDEERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594446864 342908945 /nfs/dbraw/zinc/90/89/45/342908945.db2.gz YKUJSVASYSUDKQ-LBPRGKRZSA-N 2 0 268.405 1.102 10 30 CDEERP CC(C)(C[NH2+]C[C@@H](O)CC1(C#N)CC1)C[NH+]1CCCC1 ZINC000600735807 342246243 /nfs/dbraw/zinc/24/62/43/342246243.db2.gz VTCBOFWKMVVIRX-AWEZNQCLSA-N 2 0 279.428 1.753 10 30 CDEERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594425059 342903937 /nfs/dbraw/zinc/90/39/37/342903937.db2.gz JMKUMOHMRKAISE-OLZOCXBDSA-N 2 0 268.405 1.229 10 30 CDEERP C[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594424437 342903940 /nfs/dbraw/zinc/90/39/40/342903940.db2.gz DOLOIFCELJWSAI-AWEZNQCLSA-N 2 0 274.368 1.756 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CC#N ZINC000597051983 343442232 /nfs/dbraw/zinc/44/22/32/343442232.db2.gz HSCNXQWZOIYJMI-HUUCEWRRSA-N 2 0 294.443 1.411 10 30 CDEERP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@@H+]1C ZINC000601852413 344271777 /nfs/dbraw/zinc/27/17/77/344271777.db2.gz YPBRBQQZYMFBHL-ZIAGYGMSSA-N 2 0 280.416 1.196 10 30 CDEERP C=CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001660150052 1172165666 /nfs/dbraw/zinc/16/56/66/1172165666.db2.gz LSVOQEQYNLZEMW-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C[NH+](C)CC1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCCC1 ZINC000600733020 358706517 /nfs/dbraw/zinc/70/65/17/358706517.db2.gz AJCOKICXTPPJRR-AWEZNQCLSA-N 2 0 279.428 1.753 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)c2ccccc2CC[NH3+])CC1 ZINC000572657409 371267291 /nfs/dbraw/zinc/26/72/91/371267291.db2.gz GXMSTIVWIDCNME-UHFFFAOYSA-N 2 0 287.407 1.568 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001661690865 1172427168 /nfs/dbraw/zinc/42/71/68/1172427168.db2.gz WJMDKVAWPAWRHJ-XHSDSOJGSA-N 2 0 287.407 1.712 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000417545930 377934017 /nfs/dbraw/zinc/93/40/17/377934017.db2.gz YQFFYXFWWIHHHH-RYUDHWBXSA-N 2 0 268.405 1.062 10 30 CDEERP CC#CC[N@H+](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001663309803 1172669198 /nfs/dbraw/zinc/66/91/98/1172669198.db2.gz XDGUQJYVOHCZPR-UHFFFAOYSA-N 2 0 279.428 1.178 10 30 CDEERP C[C@H]([NH3+])[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423461720 392961779 /nfs/dbraw/zinc/96/17/79/392961779.db2.gz KDTMOLUDASXQHI-STQMWFEESA-N 2 0 272.396 1.852 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001663638452 1172738073 /nfs/dbraw/zinc/73/80/73/1172738073.db2.gz GOBXXOFCTOYLKW-CQSZACIVSA-N 2 0 265.401 1.096 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000662682241 413306750 /nfs/dbraw/zinc/30/67/50/413306750.db2.gz OYUDYHLYTUNPEM-IIAWOOMASA-N 2 0 277.412 1.428 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000662691267 413324679 /nfs/dbraw/zinc/32/46/79/413324679.db2.gz IPTGKPWKVBQEGP-RDJZCZTQSA-N 2 0 291.439 1.772 10 30 CDEERP C/C(=N\O)[C@@H](C)NCC(C)(C)C[NH2+][C@H](C)/C(C)=N/O ZINC000038796245 174155326 /nfs/dbraw/zinc/15/53/26/174155326.db2.gz BPNZYADGDZPRTK-UDUYQYQQSA-N 2 0 272.393 1.669 10 30 in-man CDEERP C[N@@H+]1CCCN(Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043688853 175095209 /nfs/dbraw/zinc/09/52/09/175095209.db2.gz SURRYGXFEIIOJZ-UHFFFAOYSA-N 2 0 263.410 1.196 10 30 CDEERP CNC(=O)C1CC[NH+](Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043689003 175095282 /nfs/dbraw/zinc/09/52/82/175095282.db2.gz LXPMZUMEXPDBOQ-UHFFFAOYSA-N 2 0 291.420 1.016 10 30 CDEERP CCC[NH+]1CCN(Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000044471156 175177991 /nfs/dbraw/zinc/17/79/91/175177991.db2.gz BGBQPKBREPPFTP-UHFFFAOYSA-N 2 0 277.437 1.586 10 30 CDEERP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000071145420 176042268 /nfs/dbraw/zinc/04/22/68/176042268.db2.gz OLBGVCVQIGEXCV-ZDUSSCGKSA-N 2 0 286.379 1.428 10 30 CDEERP C=CC[C@]1(C(=O)Nc2cccc(C[NH3+])c2)CCC[NH2+]1 ZINC000662392825 424030687 /nfs/dbraw/zinc/03/06/87/424030687.db2.gz LPAMIAOQPIAAON-OAHLLOKOSA-N 2 0 259.353 1.782 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]21 ZINC001667701758 1173311336 /nfs/dbraw/zinc/31/13/36/1173311336.db2.gz PNIHBZAJFHVYKM-HZPDHXFCSA-N 2 0 293.455 1.826 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001667692811 1173312180 /nfs/dbraw/zinc/31/21/80/1173312180.db2.gz CZMMUVJEMCJAPK-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001668904726 1173478007 /nfs/dbraw/zinc/47/80/07/1173478007.db2.gz GCDLMUYPJNSLNH-YVACAVLKSA-N 2 0 279.428 1.555 10 30 CDEERP C=CCCC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001669021363 1173496106 /nfs/dbraw/zinc/49/61/06/1173496106.db2.gz WFVZELDVECIYHM-VOTSOKGWSA-N 2 0 279.428 1.556 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267280524 1159232612 /nfs/dbraw/zinc/23/26/12/1159232612.db2.gz UEDNBIGPAGKMCG-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732210388 1159750837 /nfs/dbraw/zinc/75/08/37/1159750837.db2.gz GLRGBEHCPGOOAH-XJKSGUPXSA-N 2 0 297.418 1.317 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482337222 1160158365 /nfs/dbraw/zinc/15/83/65/1160158365.db2.gz OLWPGUYORJTCEA-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001713720230 1178720882 /nfs/dbraw/zinc/72/08/82/1178720882.db2.gz QXWPIFNUXICYLF-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[N@@H+](CC)CCn1cc(C[NH2+]CCC)nn1 ZINC000052423416 518598529 /nfs/dbraw/zinc/59/85/29/518598529.db2.gz KFSSPWUCYZTLDF-UHFFFAOYSA-N 2 0 265.405 1.676 10 30 CDEERP CCN[C@@](C#N)(CN1CCC[C@@H]1C[NH+](C)C)C1CC1 ZINC000069082609 520125590 /nfs/dbraw/zinc/12/55/90/520125590.db2.gz MILPCTCRMBFYRJ-CABCVRRESA-N 2 0 264.417 1.294 10 30 CDEERP C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(C#CC[NH3+])s1 ZINC000061655675 521834200 /nfs/dbraw/zinc/83/42/00/521834200.db2.gz MGAQIQZEUMTVJF-LBPRGKRZSA-N 2 0 291.420 1.225 10 30 CDEERP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccccc1C#CC[NH3+] ZINC000049609829 523516387 /nfs/dbraw/zinc/51/63/87/523516387.db2.gz KQKQYESBRYZEJW-RHSMWYFYSA-N 2 0 272.392 1.996 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000764445372 575907992 /nfs/dbraw/zinc/90/79/92/575907992.db2.gz VHIXTUWBZHDBLP-ZDUSSCGKSA-N 2 0 255.406 1.197 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001690169276 1175392638 /nfs/dbraw/zinc/39/26/38/1175392638.db2.gz XGWMZQIAVHAHQB-CQSZACIVSA-N 2 0 279.428 1.082 10 30 CDEERP C#CC[C@H](COC)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000862548365 620736566 /nfs/dbraw/zinc/73/65/66/620736566.db2.gz DKLUUYFRCCPJDB-CQSZACIVSA-N 2 0 252.402 1.877 10 30 CDEERP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902816106 625471082 /nfs/dbraw/zinc/47/10/82/625471082.db2.gz ZFBQJUZSSSKNKI-GFCCVEGCSA-N 2 0 274.368 1.061 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000900832705 623548464 /nfs/dbraw/zinc/54/84/64/623548464.db2.gz UUOXCHOPCSLCJX-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CC(C)(C)[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000904473433 626304636 /nfs/dbraw/zinc/30/46/36/626304636.db2.gz RTJJYCLBDNCSOV-GFCCVEGCSA-N 2 0 250.390 1.400 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000876884214 630581442 /nfs/dbraw/zinc/58/14/42/630581442.db2.gz OHCUNWOMTHTSKS-ZMLRMANQSA-N 2 0 273.808 1.255 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001670489865 1158618494 /nfs/dbraw/zinc/61/84/94/1158618494.db2.gz CVKNVELBXPITTJ-HNNXBMFYSA-N 2 0 289.423 1.123 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001691345831 1159028878 /nfs/dbraw/zinc/02/88/78/1159028878.db2.gz KIUUIWZJMOWPQY-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001266994412 1159073255 /nfs/dbraw/zinc/07/32/55/1159073255.db2.gz NAEFLASJGXAWDB-CQSZACIVSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001671342369 1158636185 /nfs/dbraw/zinc/63/61/85/1158636185.db2.gz IKONWIAANYKXCM-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001270066336 1160087330 /nfs/dbraw/zinc/08/73/30/1160087330.db2.gz ISYSMFZOMLWXQB-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001484169684 1161256549 /nfs/dbraw/zinc/25/65/49/1161256549.db2.gz DCSWTRZLKFLXKD-MRXNPFEDSA-N 2 0 288.395 1.194 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001485173824 1161272160 /nfs/dbraw/zinc/27/21/60/1161272160.db2.gz HSDOBHLTTNESLC-HUUCEWRRSA-N 2 0 293.455 1.757 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001567742836 1168945167 /nfs/dbraw/zinc/94/51/67/1168945167.db2.gz VIYBOQJUCXGNOE-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001568455884 1169296849 /nfs/dbraw/zinc/29/68/49/1169296849.db2.gz GAZUTQBEXZQRRI-AWEZNQCLSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001569448681 1169882696 /nfs/dbraw/zinc/88/26/96/1169882696.db2.gz ZIYWOGDGIOPNKC-CVEARBPZSA-N 2 0 293.455 1.968 10 30 CDEERP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001569725907 1169976931 /nfs/dbraw/zinc/97/69/31/1169976931.db2.gz JJMBPNQGDIIWJB-DOTOQJQBSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001569826536 1170007207 /nfs/dbraw/zinc/00/72/07/1170007207.db2.gz STYWMJQAPHWIGR-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001569987199 1170054674 /nfs/dbraw/zinc/05/46/74/1170054674.db2.gz OFBSXAWBSFZOJM-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001570040150 1170062528 /nfs/dbraw/zinc/06/25/28/1170062528.db2.gz KREOUMBDYWBGJW-BZUAXINKSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001570363951 1170143040 /nfs/dbraw/zinc/14/30/40/1170143040.db2.gz KRHPZKXCNRJAQW-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001570634651 1170214816 /nfs/dbraw/zinc/21/48/16/1170214816.db2.gz XGJSCBLQMJTVAQ-STQMWFEESA-N 2 0 267.417 1.080 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001570644599 1170221750 /nfs/dbraw/zinc/22/17/50/1170221750.db2.gz PZVACAWCPFNELK-KBPBESRZSA-N 2 0 291.439 1.224 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001656175904 1171784547 /nfs/dbraw/zinc/78/45/47/1171784547.db2.gz KZUUFHMSQJCZFN-XHSDSOJGSA-N 2 0 293.455 1.777 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCCC)CC1 ZINC001669483195 1173555585 /nfs/dbraw/zinc/55/55/85/1173555585.db2.gz XIHOHONFYATSLT-CQSZACIVSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001671428669 1173682935 /nfs/dbraw/zinc/68/29/35/1173682935.db2.gz HFYPUSMZONVMMM-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001671518221 1173685299 /nfs/dbraw/zinc/68/52/99/1173685299.db2.gz DEGDOSVJRSCLOO-CVEARBPZSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001676766310 1174270253 /nfs/dbraw/zinc/27/02/53/1174270253.db2.gz BZFIRJOCMBXPAT-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001698594085 1175195075 /nfs/dbraw/zinc/19/50/75/1175195075.db2.gz FJZBWBLRBURAIQ-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001690633868 1175531553 /nfs/dbraw/zinc/53/15/53/1175531553.db2.gz MACJXAUBRLUDMO-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001690824546 1175581276 /nfs/dbraw/zinc/58/12/76/1175581276.db2.gz GTXQOABHFIEVBP-CQSZACIVSA-N 2 0 290.411 1.760 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001692279093 1175723110 /nfs/dbraw/zinc/72/31/10/1175723110.db2.gz AIGMSUFOMYWEFZ-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001698553842 1175837245 /nfs/dbraw/zinc/83/72/45/1175837245.db2.gz OVOWKDSOHMEWIT-CYBMUJFWSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CC2CC2)CC1 ZINC001698773589 1175926434 /nfs/dbraw/zinc/92/64/34/1175926434.db2.gz ADMAALWOJSBKOB-CQSZACIVSA-N 2 0 291.439 1.084 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001698893120 1175979394 /nfs/dbraw/zinc/97/93/94/1175979394.db2.gz QFYFTQVVFHFNHZ-UONOGXRCSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001699011914 1176039779 /nfs/dbraw/zinc/03/97/79/1176039779.db2.gz ARVXFFVFTIPEAY-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699134032 1176108094 /nfs/dbraw/zinc/10/80/94/1176108094.db2.gz HGXYSGCPSHGASS-CJNGLKHVSA-N 2 0 299.434 1.869 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699459236 1176423398 /nfs/dbraw/zinc/42/33/98/1176423398.db2.gz JINUPYOWWKFAEO-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699538993 1176467832 /nfs/dbraw/zinc/46/78/32/1176467832.db2.gz HESZQOAVUCKZED-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001699741503 1176601430 /nfs/dbraw/zinc/60/14/30/1176601430.db2.gz UZVGCHKQOWFJJB-LSDHHAIUSA-N 2 0 289.423 1.075 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001699827642 1176645841 /nfs/dbraw/zinc/64/58/41/1176645841.db2.gz QVCXKXIAFYWPEL-HOCLYGCPSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001700382681 1176885655 /nfs/dbraw/zinc/88/56/55/1176885655.db2.gz ZLTLMDASPWRSMW-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700391486 1176897881 /nfs/dbraw/zinc/89/78/81/1176897881.db2.gz ANAIGLCRHUTABA-HUUCEWRRSA-N 2 0 293.455 1.757 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)C1([NH+](C)C)CCC1 ZINC001700519320 1176993599 /nfs/dbraw/zinc/99/35/99/1176993599.db2.gz PZOOZWOOJLIGCT-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@H+]1CCC)C(C)C ZINC001700711436 1177086952 /nfs/dbraw/zinc/08/69/52/1177086952.db2.gz GFXYCVPRWPPEHB-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001700869558 1177171660 /nfs/dbraw/zinc/17/16/60/1177171660.db2.gz VIJUFRJCCAZFKX-HOCLYGCPSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001713002819 1178293930 /nfs/dbraw/zinc/29/39/30/1178293930.db2.gz OPAZJQVOTPKCJB-UONOGXRCSA-N 2 0 288.395 1.335 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001713208025 1178432905 /nfs/dbraw/zinc/43/29/05/1178432905.db2.gz YQZDDHMDUJIZAO-MELADBBJSA-N 2 0 265.401 1.141 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001713220422 1178438493 /nfs/dbraw/zinc/43/84/93/1178438493.db2.gz KVUDCCLRXVTUEK-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001713223609 1178441466 /nfs/dbraw/zinc/44/14/66/1178441466.db2.gz CJQWGKVKCNNCNF-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001713279753 1178463698 /nfs/dbraw/zinc/46/36/98/1178463698.db2.gz TYYQPFYELKPQJG-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001713360901 1178520812 /nfs/dbraw/zinc/52/08/12/1178520812.db2.gz QUCSGOILXCIHIH-AWEZNQCLSA-N 2 0 277.412 1.096 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713683940 1178707533 /nfs/dbraw/zinc/70/75/33/1178707533.db2.gz GDIOESDOVSFEBP-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CC[NH+]1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001713850061 1178792013 /nfs/dbraw/zinc/79/20/13/1178792013.db2.gz LCIXMDNPRXWCEC-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001713892230 1178823394 /nfs/dbraw/zinc/82/33/94/1178823394.db2.gz SKJPFVHGXMPRGE-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001713910458 1178834598 /nfs/dbraw/zinc/83/45/98/1178834598.db2.gz FCJPDERKZKXTAY-IYBDPMFKSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713949622 1178880704 /nfs/dbraw/zinc/88/07/04/1178880704.db2.gz XZQBWABBWWOXBO-SHTZXODSSA-N 2 0 291.439 1.511 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001714050641 1178947341 /nfs/dbraw/zinc/94/73/41/1178947341.db2.gz ZWSQYXDAWHUQPO-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001714088192 1178967343 /nfs/dbraw/zinc/96/73/43/1178967343.db2.gz GPWVCBJNMCWHSJ-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714148894 1178991100 /nfs/dbraw/zinc/99/11/00/1178991100.db2.gz BHOQUEQJDKMANS-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001714367813 1179107086 /nfs/dbraw/zinc/10/70/86/1179107086.db2.gz TYHOJVZWVASAGK-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001714844460 1179418566 /nfs/dbraw/zinc/41/85/66/1179418566.db2.gz ZOGCTHJQSYGAAK-QGZVFWFLSA-N 2 0 299.418 1.553 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCc1c[nH]cn1 ZINC001715186085 1179572276 /nfs/dbraw/zinc/57/22/76/1179572276.db2.gz JRUGIZBEJBFSGP-HNNXBMFYSA-N 2 0 288.395 1.336 10 30 CDEERP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001715313961 1179619384 /nfs/dbraw/zinc/61/93/84/1179619384.db2.gz BUBZYWPNEZXREP-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715652798 1179753105 /nfs/dbraw/zinc/75/31/05/1179753105.db2.gz KQTKZRMFVZAUHF-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001715883900 1179896267 /nfs/dbraw/zinc/89/62/67/1179896267.db2.gz FCQYXBWRZMDDLD-PLNGDYQASA-N 2 0 293.455 1.947 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716140376 1180068419 /nfs/dbraw/zinc/06/84/19/1180068419.db2.gz TWYAUCBMHSYOFR-GXTWGEPZSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001716628083 1180313851 /nfs/dbraw/zinc/31/38/51/1180313851.db2.gz XUHAGIYPRMWYIB-KBPBESRZSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001716824509 1180425739 /nfs/dbraw/zinc/42/57/39/1180425739.db2.gz FAERSLYVVZGQRA-HOTGVXAUSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001717442965 1180675155 /nfs/dbraw/zinc/67/51/55/1180675155.db2.gz VYZPWCNUNHXVJG-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001717442966 1180675220 /nfs/dbraw/zinc/67/52/20/1180675220.db2.gz VYZPWCNUNHXVJG-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001717478004 1180696312 /nfs/dbraw/zinc/69/63/12/1180696312.db2.gz JKMPPQBNMIIQSO-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001717497229 1180710193 /nfs/dbraw/zinc/71/01/93/1180710193.db2.gz AIFZJGHGESXKBG-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001717532515 1180725283 /nfs/dbraw/zinc/72/52/83/1180725283.db2.gz IVBALHRYOFEUKN-RDJZCZTQSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001717888181 1180914399 /nfs/dbraw/zinc/91/43/99/1180914399.db2.gz ZKXLAEBHVBUQMV-HUUCEWRRSA-N 2 0 290.411 1.724 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001723859466 1181613126 /nfs/dbraw/zinc/61/31/26/1181613126.db2.gz JXPOBLAVRPRJRE-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001724364909 1181667805 /nfs/dbraw/zinc/66/78/05/1181667805.db2.gz XIVLDLJKALKTSK-UHFFFAOYSA-N 2 0 297.443 1.159 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001724556739 1181695190 /nfs/dbraw/zinc/69/51/90/1181695190.db2.gz YZMBJZSYGONCPQ-UONOGXRCSA-N 2 0 277.412 1.095 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001724724051 1181733936 /nfs/dbraw/zinc/73/39/36/1181733936.db2.gz DIUIWRBKGNZVFV-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001724859799 1181780749 /nfs/dbraw/zinc/78/07/49/1181780749.db2.gz JMQBDPXCEHKDAQ-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001725093326 1181855984 /nfs/dbraw/zinc/85/59/84/1181855984.db2.gz FDIFTIQMGOPHCB-KGLIPLIRSA-N 2 0 277.412 1.121 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001725215957 1181925540 /nfs/dbraw/zinc/92/55/40/1181925540.db2.gz YYLDOGUPHXJMKC-HNNXBMFYSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001725259267 1181942424 /nfs/dbraw/zinc/94/24/24/1181942424.db2.gz ZXKCIEBHRCQZEN-HOCLYGCPSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001732025969 1182728009 /nfs/dbraw/zinc/72/80/09/1182728009.db2.gz FSWFUVGCDZFVGL-HZPDHXFCSA-N 2 0 287.407 1.571 10 30 CDEERP C=CCC[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001732169678 1182828959 /nfs/dbraw/zinc/82/89/59/1182828959.db2.gz IDQHHNVSIGNITL-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001732174185 1182832578 /nfs/dbraw/zinc/83/25/78/1182832578.db2.gz VORSZYYERYYDGW-HUUCEWRRSA-N 2 0 279.428 1.273 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732344208 1182917160 /nfs/dbraw/zinc/91/71/60/1182917160.db2.gz ULQLRGNGCWBDIQ-OAHLLOKOSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CCC)C1CCCCC1 ZINC001732478930 1182983401 /nfs/dbraw/zinc/98/34/01/1182983401.db2.gz XBYKLQIIISEHHX-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001732497101 1182989611 /nfs/dbraw/zinc/98/96/11/1182989611.db2.gz XNIGEECHCPZFIR-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732775429 1183121456 /nfs/dbraw/zinc/12/14/56/1183121456.db2.gz SEZVRFBAKFUYOT-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001732894136 1183175423 /nfs/dbraw/zinc/17/54/23/1183175423.db2.gz JMYCZENHSDSTGM-WAYWQWQTSA-N 2 0 265.401 1.166 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001733013259 1183237325 /nfs/dbraw/zinc/23/73/25/1183237325.db2.gz MHLUYCXTBVVUNE-LSDHHAIUSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001733015735 1183239119 /nfs/dbraw/zinc/23/91/19/1183239119.db2.gz ZTUPQPCTJABPSR-ZDUSSCGKSA-N 2 0 273.380 1.089 10 30 CDEERP C#CC[N@@H+](CCNC(=O)CC[NH+](C)C)C1CCCCCC1 ZINC001733277933 1183378106 /nfs/dbraw/zinc/37/81/06/1183378106.db2.gz JGVPMHUPFUEWRD-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001733452070 1183435956 /nfs/dbraw/zinc/43/59/56/1183435956.db2.gz MKKSJOCZULFQJZ-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001733770102 1183526833 /nfs/dbraw/zinc/52/68/33/1183526833.db2.gz GOUMCHOVMUCCLC-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001733938347 1183574844 /nfs/dbraw/zinc/57/48/44/1183574844.db2.gz OTJVMZISUUTJSC-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001734345780 1183741983 /nfs/dbraw/zinc/74/19/83/1183741983.db2.gz WQMRZANYSKWZPJ-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001734462833 1183787387 /nfs/dbraw/zinc/78/73/87/1183787387.db2.gz UYEUEJPTWSOXGO-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001734638280 1183855502 /nfs/dbraw/zinc/85/55/02/1183855502.db2.gz KFVRHUASMDLUEX-UHFFFAOYSA-N 2 0 263.385 1.017 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1OC ZINC000876506069 711958412 /nfs/dbraw/zinc/95/84/12/711958412.db2.gz DITHHEUYOOTJOR-RYUDHWBXSA-N 2 0 297.786 1.281 10 30 CDEERP C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925635920 712128657 /nfs/dbraw/zinc/12/86/57/712128657.db2.gz VADYBWKITLCEBI-VXGBXAGGSA-N 2 0 274.430 1.083 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)CCC[NH2+]1 ZINC000877206122 712294717 /nfs/dbraw/zinc/29/47/17/712294717.db2.gz DBNSCBHWNLILAC-MRXNPFEDSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001570642023 1167580361 /nfs/dbraw/zinc/58/03/61/1167580361.db2.gz QRTZBIVHQIOANC-ZIAGYGMSSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001565839588 1168055136 /nfs/dbraw/zinc/05/51/36/1168055136.db2.gz JLUZRWNSLNYDGG-ZNMIVQPWSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001567421319 1168055604 /nfs/dbraw/zinc/05/56/04/1168055604.db2.gz QYUZFPRYGMDMOS-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C#CCC[NH+](CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001566601067 1168351086 /nfs/dbraw/zinc/35/10/86/1168351086.db2.gz VUHOCFUJZFQCEJ-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001566739713 1168405364 /nfs/dbraw/zinc/40/53/64/1168405364.db2.gz HTVFRWOWFAYIHV-BZUAXINKSA-N 2 0 293.455 1.683 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CNC(=O)Cc1[nH]cnc1C ZINC001483696471 912872775 /nfs/dbraw/zinc/87/27/75/912872775.db2.gz KGHGQWGHSFDMKB-ZDUSSCGKSA-N 2 0 276.384 1.417 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001282486946 894457167 /nfs/dbraw/zinc/45/71/67/894457167.db2.gz RUKAPZOEYZNPNJ-STQMWFEESA-N 2 0 255.406 1.195 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266342996 894460301 /nfs/dbraw/zinc/46/03/01/894460301.db2.gz VWGLLCJKSOGBPH-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001266725706 895924059 /nfs/dbraw/zinc/92/40/59/895924059.db2.gz QMWXDMWWBRPYIA-OKILXGFUSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001266852659 896192702 /nfs/dbraw/zinc/19/27/02/896192702.db2.gz UVSSCAKIHWGREJ-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266880868 896269520 /nfs/dbraw/zinc/26/95/20/896269520.db2.gz QABBCNXOYMYAHH-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001267201368 897133637 /nfs/dbraw/zinc/13/36/37/897133637.db2.gz MWTSGPDETOEABG-ZBFHGGJFSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267306690 897548921 /nfs/dbraw/zinc/54/89/21/897548921.db2.gz KITQHNMBLQTHRV-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001567591162 1168876854 /nfs/dbraw/zinc/87/68/54/1168876854.db2.gz ZIZGXHUOAOTSSR-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267567912 898389621 /nfs/dbraw/zinc/38/96/21/898389621.db2.gz GPWRCCXBVDOTAF-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481111212 898878252 /nfs/dbraw/zinc/87/82/52/898878252.db2.gz GHAPDVSZXNBTKM-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001481148451 898980279 /nfs/dbraw/zinc/98/02/79/898980279.db2.gz JQWYUARZTGYMTI-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001481169443 899038668 /nfs/dbraw/zinc/03/86/68/899038668.db2.gz OPAACEWNDNIYCM-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267956069 900062688 /nfs/dbraw/zinc/06/26/88/900062688.db2.gz UBPJWDPSWVUBGF-BZUAXINKSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001481353203 900481061 /nfs/dbraw/zinc/48/10/61/900481061.db2.gz BUSAFSFODXKWCQ-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481495476 900922221 /nfs/dbraw/zinc/92/22/21/900922221.db2.gz AGCUVZIRUFHRNA-OAHLLOKOSA-N 2 0 293.455 1.685 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268087053 901167257 /nfs/dbraw/zinc/16/72/57/901167257.db2.gz OHUJVPYGXIQIQX-HZPDHXFCSA-N 2 0 293.455 1.709 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001481669480 901765304 /nfs/dbraw/zinc/76/53/04/901765304.db2.gz NYQUVGAJPMHMDA-UHFFFAOYSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001482021753 902477541 /nfs/dbraw/zinc/47/75/41/902477541.db2.gz BBPULOYYONYNEX-BZUAXINKSA-N 2 0 293.455 1.613 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268640653 902872110 /nfs/dbraw/zinc/87/21/10/902872110.db2.gz WVYJQLCTOUJSCN-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001268731967 903049233 /nfs/dbraw/zinc/04/92/33/903049233.db2.gz DSKDSYHSNHVMGF-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001269292102 903663664 /nfs/dbraw/zinc/66/36/64/903663664.db2.gz OVIAXGJXZDCODN-ZIAGYGMSSA-N 2 0 267.417 1.339 10 30 CDEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001269489086 903854996 /nfs/dbraw/zinc/85/49/96/903854996.db2.gz GSSVGAGZLTUPKG-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[N@H+]1CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001270983582 905520972 /nfs/dbraw/zinc/52/09/72/905520972.db2.gz RHHQJEPGEGRIQW-MRXNPFEDSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C(C)C ZINC001271846423 906890787 /nfs/dbraw/zinc/89/07/87/906890787.db2.gz PXTCJRVFJDKAHJ-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCF)C(C)C)CC1 ZINC001482572866 907299485 /nfs/dbraw/zinc/29/94/85/907299485.db2.gz QVVRQMDSWVKRPD-OAHLLOKOSA-N 2 0 297.418 1.032 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001496758520 908072542 /nfs/dbraw/zinc/07/25/42/908072542.db2.gz PGFBWMXQBMQKHD-LSDHHAIUSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001482649756 908113756 /nfs/dbraw/zinc/11/37/56/908113756.db2.gz JOUZPXMQRFYVCL-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001568106380 1169136996 /nfs/dbraw/zinc/13/69/96/1169136996.db2.gz UPFONKGWQSECRF-KKUMJFAQSA-N 2 0 299.434 1.869 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001484094367 915428106 /nfs/dbraw/zinc/42/81/06/915428106.db2.gz OPJUFOGXACQZHF-DOTOQJQBSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001484511991 915834668 /nfs/dbraw/zinc/83/46/68/915834668.db2.gz NMEKKJSRJXBKSQ-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001485515955 917053900 /nfs/dbraw/zinc/05/39/00/917053900.db2.gz HCYHDXBMVAEOBL-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001486424983 921000276 /nfs/dbraw/zinc/00/02/76/921000276.db2.gz YYARJRDRXXLTLO-CQSZACIVSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH+]1CC=C(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001486518658 921095367 /nfs/dbraw/zinc/09/53/67/921095367.db2.gz DHAZTDSRDAMWAC-UHFFFAOYSA-N 2 0 277.412 1.100 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001490941970 936833640 /nfs/dbraw/zinc/83/36/40/936833640.db2.gz VRJVGKFDPNWSNV-JOCQHMNTSA-N 2 0 253.390 1.141 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001491024842 936843909 /nfs/dbraw/zinc/84/39/09/936843909.db2.gz PBQNORLSCLSBIJ-ZNMIVQPWSA-N 2 0 277.412 1.121 10 30 CDEERP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000923329795 923740394 /nfs/dbraw/zinc/74/03/94/923740394.db2.gz OYCOFEUHNBORRN-SOUVJXGZSA-N 2 0 252.402 1.778 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001568367648 1169262221 /nfs/dbraw/zinc/26/22/21/1169262221.db2.gz IDRRZYCAMNULOQ-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001568450941 1169294720 /nfs/dbraw/zinc/29/47/20/1169294720.db2.gz FTIOPVAJRGVMED-CVEARBPZSA-N 2 0 291.439 1.082 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001568466503 1169302398 /nfs/dbraw/zinc/30/23/98/1169302398.db2.gz AEQNWMFOTUXJTI-ZIAGYGMSSA-N 2 0 267.417 1.080 10 30 CDEERP [NH3+]C1(CNC(=O)C#CC2CC[NH2+]CC2)CCCCCC1 ZINC000852792879 927872537 /nfs/dbraw/zinc/87/25/37/927872537.db2.gz HAIDTJBQOKFGKI-UHFFFAOYSA-N 2 0 277.412 1.157 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCC[NH2+]1 ZINC000852877054 927905944 /nfs/dbraw/zinc/90/59/44/927905944.db2.gz AOZYJECPPCZKND-HOTGVXAUSA-N 2 0 277.412 1.287 10 30 CDEERP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001568484893 1169318911 /nfs/dbraw/zinc/31/89/11/1169318911.db2.gz AUKFUDKZJCIJDF-AWEZNQCLSA-N 2 0 285.407 1.080 10 30 CDEERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000817914998 930629319 /nfs/dbraw/zinc/62/93/19/930629319.db2.gz FTUVEBAWNYPEGU-CQSZACIVSA-N 2 0 277.368 1.410 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001274104252 931171541 /nfs/dbraw/zinc/17/15/41/931171541.db2.gz AVZXKTJKSGEOCM-LLYBFZRZSA-N 2 0 277.412 1.146 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001274413776 931498280 /nfs/dbraw/zinc/49/82/80/931498280.db2.gz OISBIRVSJGKXEY-PLNGDYQASA-N 2 0 265.401 1.166 10 30 CDEERP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001276262442 932697020 /nfs/dbraw/zinc/69/70/20/932697020.db2.gz WULKRPDCDGRJQD-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001276712220 940826660 /nfs/dbraw/zinc/82/66/60/940826660.db2.gz RPSAAHFSSMUBSH-QGZVFWFLSA-N 2 0 299.418 1.479 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001277193462 942157402 /nfs/dbraw/zinc/15/74/02/942157402.db2.gz HDQASBSIHISISC-HRCADAONSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001277195016 942161893 /nfs/dbraw/zinc/16/18/93/942161893.db2.gz JXGHCJUDRYMQKM-HUUCEWRRSA-N 2 0 289.423 1.265 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCC1 ZINC001280544785 942459585 /nfs/dbraw/zinc/45/95/85/942459585.db2.gz FPYWUZPZYOXOBF-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001281714262 942612768 /nfs/dbraw/zinc/61/27/68/942612768.db2.gz QSQGDYLXFWOZAO-MELADBBJSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001282058178 942651336 /nfs/dbraw/zinc/65/13/36/942651336.db2.gz PABUXPIMRDUVIS-WLYUNCDWSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001282230270 942680914 /nfs/dbraw/zinc/68/09/14/942680914.db2.gz OYMOAIRXCYYFTE-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)CCCn2ccnc2)C1 ZINC001282739305 942747486 /nfs/dbraw/zinc/74/74/86/942747486.db2.gz KIRIAVGWCPDNRS-AWEZNQCLSA-N 2 0 290.411 1.676 10 30 CDEERP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001282888615 942766482 /nfs/dbraw/zinc/76/64/82/942766482.db2.gz MINXRPKOQTXOPW-PHZGNYQRSA-N 2 0 291.439 1.198 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001283552143 942930644 /nfs/dbraw/zinc/93/06/44/942930644.db2.gz BPHFDTPWZGHGBD-ZIAGYGMSSA-N 2 0 267.417 1.339 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001284639528 943230647 /nfs/dbraw/zinc/23/06/47/943230647.db2.gz AQFZSCBYWWDHDU-STQMWFEESA-N 2 0 267.417 1.080 10 30 CDEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001284765160 943256661 /nfs/dbraw/zinc/25/66/61/943256661.db2.gz QCNVQXWNQAVPOZ-PRLABOORSA-N 2 0 293.455 1.872 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001277843614 943791121 /nfs/dbraw/zinc/79/11/21/943791121.db2.gz FRLAZZBCIGMRAY-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001264376832 944118996 /nfs/dbraw/zinc/11/89/96/944118996.db2.gz PIHLOEKDSYRYGG-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001264431036 944135228 /nfs/dbraw/zinc/13/52/28/944135228.db2.gz SFRQFOZRCNZUMF-KOMQPUFPSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001265964045 944603099 /nfs/dbraw/zinc/60/30/99/944603099.db2.gz PTGVDYNYYMFFMX-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH2+]C1CC(N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001279329471 944793946 /nfs/dbraw/zinc/79/39/46/944793946.db2.gz XELBQCSWLGCHSL-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001479295637 971292264 /nfs/dbraw/zinc/29/22/64/971292264.db2.gz RLTXTODIPPKHKT-OWCLPIDISA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001479733556 971386545 /nfs/dbraw/zinc/38/65/45/971386545.db2.gz XABWDANPZYNXHZ-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001279016940 948606904 /nfs/dbraw/zinc/60/69/04/948606904.db2.gz FTLLPHOFGYAYRJ-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001278521363 949706229 /nfs/dbraw/zinc/70/62/29/949706229.db2.gz NGRBBOKVAASGQZ-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001278532438 949768190 /nfs/dbraw/zinc/76/81/90/949768190.db2.gz DGBNSMAZAKTRKK-KGLIPLIRSA-N 2 0 267.417 1.482 10 30 CDEERP C#CC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001480265821 971652748 /nfs/dbraw/zinc/65/27/48/971652748.db2.gz SAEBMGQEEPKPHY-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001480267621 971653987 /nfs/dbraw/zinc/65/39/87/971653987.db2.gz PHZXYBTXUVIFDU-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001480410506 971706750 /nfs/dbraw/zinc/70/67/50/971706750.db2.gz LVHSETSVFKHLTQ-FHERZECASA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001569100167 1169644273 /nfs/dbraw/zinc/64/42/73/1169644273.db2.gz QQGBXMAMJMGZSS-ZDUSSCGKSA-N 2 0 291.395 1.463 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480794209 971882544 /nfs/dbraw/zinc/88/25/44/971882544.db2.gz WQNFDTUOURCWFT-CVEARBPZSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001326928854 954621816 /nfs/dbraw/zinc/62/18/16/954621816.db2.gz QMISHNSVEFNXFB-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001316663702 955088548 /nfs/dbraw/zinc/08/85/48/955088548.db2.gz GLLGMLDYWWIBBD-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCCC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001316824299 956989509 /nfs/dbraw/zinc/98/95/09/956989509.db2.gz QIFYGYXLKOCAHU-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001316890058 957102334 /nfs/dbraw/zinc/10/23/34/957102334.db2.gz KSGBFTFOCFYUOZ-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001316906440 957111067 /nfs/dbraw/zinc/11/10/67/957111067.db2.gz BKKMSKBQRJZGOT-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317067647 957241062 /nfs/dbraw/zinc/24/10/62/957241062.db2.gz WFJPCRYYFQQBGL-INIZCTEOSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001317343817 957432253 /nfs/dbraw/zinc/43/22/53/957432253.db2.gz NJGVSCUJUFTUMB-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH2+]C1CC(N(C)C(=O)CCc2c[nH]cn2)C1 ZINC001333074914 958058173 /nfs/dbraw/zinc/05/81/73/958058173.db2.gz AVDOONSVKVJDMX-UHFFFAOYSA-N 2 0 276.384 1.497 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001318564143 958173787 /nfs/dbraw/zinc/17/37/87/958173787.db2.gz YELPTPNRVGLNKR-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001318956360 958321331 /nfs/dbraw/zinc/32/13/31/958321331.db2.gz LUFJLMIMTYBZGB-SHTZXODSSA-N 2 0 291.439 1.511 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001319251370 958456037 /nfs/dbraw/zinc/45/60/37/958456037.db2.gz RSEOXIZRKKEBPX-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001368481951 958891718 /nfs/dbraw/zinc/89/17/18/958891718.db2.gz BKBNUZDBPILSJU-UHFFFAOYSA-N 2 0 297.830 1.463 10 30 CDEERP C=CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]21 ZINC001320113823 958945910 /nfs/dbraw/zinc/94/59/10/958945910.db2.gz ZXSZELGFRRCRIA-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321065799 959569784 /nfs/dbraw/zinc/56/97/84/959569784.db2.gz WLKAULMWTBQWER-RGDDUWESSA-N 2 0 277.412 1.166 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001322244875 960150496 /nfs/dbraw/zinc/15/04/96/960150496.db2.gz QFFPZBFAVBEXEY-XJKSGUPXSA-N 2 0 297.418 1.269 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001322274655 960162635 /nfs/dbraw/zinc/16/26/35/960162635.db2.gz PIDINBLVGDBEJA-AWEZNQCLSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001322783783 960320906 /nfs/dbraw/zinc/32/09/06/960320906.db2.gz KIJYRANHZJNEMR-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH+]1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001323945409 961058974 /nfs/dbraw/zinc/05/89/74/961058974.db2.gz DSLUSCHRUJFTQO-AWEZNQCLSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001444108096 965739389 /nfs/dbraw/zinc/73/93/89/965739389.db2.gz OEMFIRSSFRUHOK-DZGCQCFKSA-N 2 0 299.846 1.708 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001569612293 1169936334 /nfs/dbraw/zinc/93/63/34/1169936334.db2.gz ADYPMLPOWRNCFI-GOEBONIOSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([NH3+])(CC)CC1 ZINC001522444993 970437924 /nfs/dbraw/zinc/43/79/24/970437924.db2.gz JIEMKHUUSIUUJD-GFCCVEGCSA-N 2 0 253.390 1.400 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001495808937 972643188 /nfs/dbraw/zinc/64/31/88/972643188.db2.gz XZTRXCFXLPKRFC-HNNXBMFYSA-N 2 0 279.428 1.228 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001496158803 972823159 /nfs/dbraw/zinc/82/31/59/972823159.db2.gz TYVZZUIVPFMMRY-UONOGXRCSA-N 2 0 267.417 1.177 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001496370963 972901468 /nfs/dbraw/zinc/90/14/68/972901468.db2.gz XEMAPZPNLGMOBR-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001496532418 972957366 /nfs/dbraw/zinc/95/73/66/972957366.db2.gz AGGYYCVRXXUCFA-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497894739 973569305 /nfs/dbraw/zinc/56/93/05/973569305.db2.gz FUBBHUXVGFCTRT-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001498325542 973832282 /nfs/dbraw/zinc/83/22/82/973832282.db2.gz QIZDZSKBFPBEDW-CQSZACIVSA-N 2 0 293.455 1.709 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001498376267 973868748 /nfs/dbraw/zinc/86/87/48/973868748.db2.gz PNXCWQVTQJKSKN-CHWSQXEVSA-N 2 0 255.406 1.195 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001499248397 974222243 /nfs/dbraw/zinc/22/22/43/974222243.db2.gz HBGWTLBMEFPOIV-OAHLLOKOSA-N 2 0 289.423 1.265 10 30 CDEERP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001500225552 974406458 /nfs/dbraw/zinc/40/64/58/974406458.db2.gz LYZDUSOIQWVLAW-ZBFHGGJFSA-N 2 0 299.434 1.823 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001500393810 974430786 /nfs/dbraw/zinc/43/07/86/974430786.db2.gz QEGZTOOETPSKLV-MRXNPFEDSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001501886695 974651995 /nfs/dbraw/zinc/65/19/95/974651995.db2.gz MGMKLXMWTUCUAA-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001502738397 974773775 /nfs/dbraw/zinc/77/37/75/974773775.db2.gz NREHXCNADOKGCR-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001505445497 974880826 /nfs/dbraw/zinc/88/08/26/974880826.db2.gz WTSLMGAISQNDEY-HUUCEWRRSA-N 2 0 279.428 1.129 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001505536041 974902220 /nfs/dbraw/zinc/90/22/20/974902220.db2.gz JNCFFDLPGXYJGX-SHARSMKWSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001505643796 974948803 /nfs/dbraw/zinc/94/88/03/974948803.db2.gz BZRUFBUPEJFCEM-OLZOCXBDSA-N 2 0 299.846 1.850 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001507454359 975474518 /nfs/dbraw/zinc/47/45/18/975474518.db2.gz VMWQXAKSYFUQIM-AWEZNQCLSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH+]1CC=C(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001508230874 975646937 /nfs/dbraw/zinc/64/69/37/975646937.db2.gz ZMYNLBCLEMWTMY-UHFFFAOYSA-N 2 0 279.428 1.651 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001398665475 976097934 /nfs/dbraw/zinc/09/79/34/976097934.db2.gz MJAPTHPXJKKAGJ-OKILXGFUSA-N 2 0 299.846 1.852 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001674224453 1173926394 /nfs/dbraw/zinc/92/63/94/1173926394.db2.gz RJPHCKBTPOGAPK-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001674694169 1173989933 /nfs/dbraw/zinc/98/99/33/1173989933.db2.gz QSYAWZVICDJELQ-QWHCGFSZSA-N 2 0 265.401 1.284 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001674694167 1173990025 /nfs/dbraw/zinc/99/00/25/1173990025.db2.gz QSYAWZVICDJELQ-CHWSQXEVSA-N 2 0 265.401 1.284 10 30 CDEERP C#CCC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001676814944 1174277967 /nfs/dbraw/zinc/27/79/67/1174277967.db2.gz KEDHWYZDJYHWSU-RDJZCZTQSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001569994193 1170055294 /nfs/dbraw/zinc/05/52/94/1170055294.db2.gz GCWFDFBCPIMYCZ-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001570379098 1170148110 /nfs/dbraw/zinc/14/81/10/1170148110.db2.gz DKKVTKACSVPZKD-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001571257621 1170355761 /nfs/dbraw/zinc/35/57/61/1170355761.db2.gz QFDSZTGSGNTAIM-GDBMZVCRSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001571325331 1170366129 /nfs/dbraw/zinc/36/61/29/1170366129.db2.gz YLPXHUPYUPGURZ-ZDUSSCGKSA-N 2 0 253.390 1.143 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001571408324 1170416803 /nfs/dbraw/zinc/41/68/03/1170416803.db2.gz PGKJZFMIKBQIEV-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)C(C)C ZINC001571612213 1170494203 /nfs/dbraw/zinc/49/42/03/1170494203.db2.gz BLZIEMYQJBHEJZ-INIZCTEOSA-N 2 0 293.455 1.663 10 30 CDEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001571646192 1170508139 /nfs/dbraw/zinc/50/81/39/1170508139.db2.gz KXWQZLPPZKNTBB-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001571644625 1170508357 /nfs/dbraw/zinc/50/83/57/1170508357.db2.gz YQVHTBBOWORVLJ-CQSZACIVSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001656957484 1171906399 /nfs/dbraw/zinc/90/63/99/1171906399.db2.gz RDLMKDOYWAPADA-KFWWJZLASA-N 2 0 297.418 1.269 10 30 CDEERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594441303 342907484 /nfs/dbraw/zinc/90/74/84/342907484.db2.gz QPNGPHKHUIYCNY-ZIAGYGMSSA-N 2 0 280.416 1.244 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000594456553 342911580 /nfs/dbraw/zinc/91/15/80/342911580.db2.gz QJAMVKVYFCYYNF-STQMWFEESA-N 2 0 266.389 1.031 10 30 CDEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595058376 343000593 /nfs/dbraw/zinc/00/05/93/343000593.db2.gz AORKPQLKWFFVKK-SOUVJXGZSA-N 2 0 266.433 1.540 10 30 CDEERP C[NH+](C)CCCN(CCC[NH+](C)C)c1cnc(C#N)cn1 ZINC000126247892 187227135 /nfs/dbraw/zinc/22/71/35/187227135.db2.gz WHBZBZAQUBMDST-UHFFFAOYSA-N 2 0 290.415 1.058 10 30 CDEERP Cc1ccc(CN2CCN(c3ncc[nH]3)CC2)cc1C#N ZINC000599386775 344037302 /nfs/dbraw/zinc/03/73/02/344037302.db2.gz XIHRIPGZHFQUJA-UHFFFAOYSA-N 2 0 281.363 1.912 10 30 CDEERP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000601976117 344305180 /nfs/dbraw/zinc/30/51/80/344305180.db2.gz ROFUUCRHXMKXGQ-STQMWFEESA-N 2 0 280.416 1.292 10 30 CDEERP CC[C@H](CNC(NCCCOC)=[NH+]C)[NH+]1CCCC1 ZINC000065503440 363295026 /nfs/dbraw/zinc/29/50/26/363295026.db2.gz BNINJIPJIZIVIH-CYBMUJFWSA-N 2 0 270.421 1.062 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)CCC[NH+]1CCCC1 ZINC001660408829 1172209189 /nfs/dbraw/zinc/20/91/89/1172209189.db2.gz OVIXXWUSJLTKJT-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP CC#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001660409334 1172212895 /nfs/dbraw/zinc/21/28/95/1172212895.db2.gz YOOILKHDRQBPQP-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001661177890 1172347920 /nfs/dbraw/zinc/34/79/20/1172347920.db2.gz PHQGTUJQFSPATA-INIZCTEOSA-N 2 0 291.439 1.226 10 30 CDEERP N#Cc1csc(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000177685903 372109998 /nfs/dbraw/zinc/10/99/98/372109998.db2.gz GQPAERZCFYNRBO-UHFFFAOYSA-N 2 0 279.409 1.822 10 30 CDEERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193655638 375888940 /nfs/dbraw/zinc/88/89/40/375888940.db2.gz DUWYXHLYXDMPKE-GASCZTMLSA-N 2 0 298.390 1.380 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001663014245 1172628000 /nfs/dbraw/zinc/62/80/00/1172628000.db2.gz PTTWQRGGOJUMLT-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[C@@]1(C(=O)NC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662666407 413277543 /nfs/dbraw/zinc/27/75/43/413277543.db2.gz RWDRQSWNTWYFIL-HNNXBMFYSA-N 2 0 265.401 1.285 10 30 CDEERP C=CC[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC[NH2+]1 ZINC000662873499 413634905 /nfs/dbraw/zinc/63/49/05/413634905.db2.gz YRHLVPQJMMOLTK-HUORLRHWSA-N 2 0 277.412 1.426 10 30 CDEERP CC[N@H+](Cc1ccc(C#CC[NH3+])s1)[C@@H](C)COC ZINC000043684255 175093066 /nfs/dbraw/zinc/09/30/66/175093066.db2.gz KNYKWDVOXMEKNU-LBPRGKRZSA-N 2 0 266.410 1.915 10 30 CDEERP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1sccc1C#CC[NH3+] ZINC000043684119 175093203 /nfs/dbraw/zinc/09/32/03/175093203.db2.gz XYCDUAUTKOWBNX-YPMHNXCESA-N 2 0 291.420 1.144 10 30 CDEERP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071190476 176066416 /nfs/dbraw/zinc/06/64/16/176066416.db2.gz IJYMKCIINBNMNV-QGZVFWFLSA-N 3 0 271.408 1.380 10 30 CDEERP C[N@@H+](Cc1cccc(C#CCCO)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071190516 176066476 /nfs/dbraw/zinc/06/64/76/176066476.db2.gz ISFVSUPJZCRPIE-GOSISDBHSA-N 2 0 286.419 1.804 10 30 CDEERP C#CCC[NH2+]C[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001666021448 1173101399 /nfs/dbraw/zinc/10/13/99/1173101399.db2.gz DYEOBTNJOWFPLY-HOCLYGCPSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]C[C@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001666031617 1173103069 /nfs/dbraw/zinc/10/30/69/1173103069.db2.gz DYEOBTNJOWFPLY-ZBFHGGJFSA-N 2 0 279.428 1.224 10 30 CDEERP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000160819632 264262188 /nfs/dbraw/zinc/26/21/88/264262188.db2.gz ZTQOEGGIXHRBBG-CQSZACIVSA-N 2 0 268.449 1.976 10 30 CDEERP CC(C)C[N@@H+]1CCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000130840474 264369960 /nfs/dbraw/zinc/36/99/60/264369960.db2.gz MJSZWJCMUVGUBD-CYBMUJFWSA-N 2 0 254.422 1.586 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001668117397 1173371104 /nfs/dbraw/zinc/37/11/04/1173371104.db2.gz HVUVFHZSZBQMPO-UONOGXRCSA-N 2 0 290.411 1.506 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1C[C@@H](C)O[C@H](C)C1 ZINC000262240347 330002467 /nfs/dbraw/zinc/00/24/67/330002467.db2.gz XXSNFDMLNJEDTP-UMVBOHGHSA-N 2 0 296.459 1.579 10 30 CDEERP [NH2+]=C(Nc1ccccn1)NC1CC([NH+]2CCCCC2)C1 ZINC000262426088 330009716 /nfs/dbraw/zinc/00/97/16/330009716.db2.gz COSRWYDWIQXMSI-UHFFFAOYSA-N 2 0 273.384 1.825 10 30 CDEERP CC[NH+]=C(NC1CCC1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262759484 330029656 /nfs/dbraw/zinc/02/96/56/330029656.db2.gz CUOITYZYHIPEFV-DGCLKSJQSA-N 2 0 264.417 1.719 10 30 CDEERP C=CC[C@H](CO)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423030638 330166138 /nfs/dbraw/zinc/16/61/38/330166138.db2.gz CBRVLOQOEATTMO-FRFSOERESA-N 2 0 288.391 1.769 10 30 CDEERP C[N@H+](CCOCCC#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000339194666 335142498 /nfs/dbraw/zinc/14/24/98/335142498.db2.gz VKXRJXQQVIIWJD-PBWFPOADSA-N 2 0 251.374 1.474 10 30 CDEERP CC#CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001267282194 1159235177 /nfs/dbraw/zinc/23/51/77/1159235177.db2.gz UJHYGFVKJJQNDQ-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001691481764 1159376007 /nfs/dbraw/zinc/37/60/07/1159376007.db2.gz TWABETSMENIQDW-OWCLPIDISA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267667240 1159562071 /nfs/dbraw/zinc/56/20/71/1159562071.db2.gz QJOHHYMIXVWKPF-UONOGXRCSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001732206067 1159750376 /nfs/dbraw/zinc/75/03/76/1159750376.db2.gz LZRVLGKJKSRAGR-CQSZACIVSA-N 2 0 297.443 1.015 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001691516729 1160202779 /nfs/dbraw/zinc/20/27/79/1160202779.db2.gz OAJCVPKZZCZSAQ-UHFFFAOYSA-N 2 0 275.396 1.596 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C(C)C ZINC001271844152 1160365915 /nfs/dbraw/zinc/36/59/15/1160365915.db2.gz FBRPQUFACGVWDV-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)CC[N@@H+](C)CC ZINC001691542567 1160664338 /nfs/dbraw/zinc/66/43/38/1160664338.db2.gz LLXUKEXDRBCEPF-UHFFFAOYSA-N 2 0 261.797 1.129 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001733336174 1161238301 /nfs/dbraw/zinc/23/83/01/1161238301.db2.gz RIFILJVAFQNXMO-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001716479117 1180243446 /nfs/dbraw/zinc/24/34/46/1180243446.db2.gz ZCUBTXXURPNHAH-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001725186088 1181913809 /nfs/dbraw/zinc/91/38/09/1181913809.db2.gz MRICDGLMGOZRMP-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C[N@@H+](Cc1cccc(C#CC[NH3+])c1)C[C@@H]1CCCCO1 ZINC000049609528 523290368 /nfs/dbraw/zinc/29/03/68/523290368.db2.gz IYTDARQAOFOXGF-KRWDZBQOSA-N 2 0 272.392 1.998 10 30 CDEERP C[N@@H+]1CCCN(CCOc2cccc(C#CC[NH3+])c2)CC1 ZINC000049608760 523806473 /nfs/dbraw/zinc/80/64/73/523806473.db2.gz OAQLRIOFDNSOLT-UHFFFAOYSA-N 2 0 287.407 1.013 10 30 CDEERP [NH3+]CC#Cc1ccc(OCC[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000049609775 527151865 /nfs/dbraw/zinc/15/18/65/527151865.db2.gz PVBUSBOUNDGQQH-MRXNPFEDSA-N 2 0 288.391 1.222 10 30 CDEERP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001689056016 1175089196 /nfs/dbraw/zinc/08/91/96/1175089196.db2.gz ORGDXWGQWSUDRJ-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690188648 1175400153 /nfs/dbraw/zinc/40/01/53/1175400153.db2.gz LIXDNPGABPWFFX-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940624280 613027617 /nfs/dbraw/zinc/02/76/17/613027617.db2.gz CJBJUVMPMZNVHU-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C#C[C@](C)(CC)[NH2+]CC(=O)NC[C@@H](C)[NH2+][C@](C)(C#C)CC ZINC000930601776 617464504 /nfs/dbraw/zinc/46/45/04/617464504.db2.gz WNUBXDOTBANTAA-DJIMGWMZSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000934473516 617598708 /nfs/dbraw/zinc/59/87/08/617598708.db2.gz YUXCVHSHVICTDE-KGLIPLIRSA-N 2 0 265.401 1.189 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000900518549 623181445 /nfs/dbraw/zinc/18/14/45/623181445.db2.gz GBKBDYABPXPOFX-UHFFFAOYSA-N 2 0 285.351 1.714 10 30 CDEERP C=CC[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903505617 626009672 /nfs/dbraw/zinc/00/96/72/626009672.db2.gz FGCJDDAOUCBKNF-CWRNSKLLSA-N 2 0 263.429 1.852 10 30 CDEERP C=CC[N@@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903913165 626145445 /nfs/dbraw/zinc/14/54/45/626145445.db2.gz AGGZJCHPEFFULU-ZDUSSCGKSA-N 2 0 262.401 1.496 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CCC)CC[NH+]1CCCC1 ZINC000908145903 628030646 /nfs/dbraw/zinc/03/06/46/628030646.db2.gz QQXLXDFUZWKGCA-UHFFFAOYSA-N 2 0 281.444 1.829 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000908150375 628032557 /nfs/dbraw/zinc/03/25/57/628032557.db2.gz YTEXCGCEBBBOTL-LSDHHAIUSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000908188862 628060381 /nfs/dbraw/zinc/06/03/81/628060381.db2.gz FNRCJMIJCWNEDS-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000908412570 628187522 /nfs/dbraw/zinc/18/75/22/628187522.db2.gz FPYPTZDVHIDANJ-CHWSQXEVSA-N 2 0 253.390 1.045 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000912296819 629899010 /nfs/dbraw/zinc/89/90/10/629899010.db2.gz LBPQKAKYARGIOF-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913391223 630460963 /nfs/dbraw/zinc/46/09/63/630460963.db2.gz DXKYSENAGMJXSR-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001700366890 1158972084 /nfs/dbraw/zinc/97/20/84/1158972084.db2.gz ZNFOZMFNFGJVRA-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001698767333 1159034165 /nfs/dbraw/zinc/03/41/65/1159034165.db2.gz FJCTVBQDRFBFPE-ZDUSSCGKSA-N 2 0 269.433 1.492 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267129450 1159131168 /nfs/dbraw/zinc/13/11/68/1159131168.db2.gz PMQYSVHLHSXMBM-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001691654511 1161417851 /nfs/dbraw/zinc/41/78/51/1161417851.db2.gz RUGRNLGJVOWMDB-ILXRZTDVSA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)CC[N@H+]2CC[C@H](F)C2)CC1 ZINC001616329935 1165565342 /nfs/dbraw/zinc/56/53/42/1165565342.db2.gz BLBADWIVKXMDJX-ZDUSSCGKSA-N 2 0 283.391 1.187 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC001618046474 1165618047 /nfs/dbraw/zinc/61/80/47/1165618047.db2.gz YXUVNIHANUUOLL-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC001624310123 1165834590 /nfs/dbraw/zinc/83/45/90/1165834590.db2.gz BLKGNZRHXOBOFJ-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000876717511 1165899338 /nfs/dbraw/zinc/89/93/38/1165899338.db2.gz CKQYKGXCRIXWRN-NEPJUHHUSA-N 2 0 273.808 1.399 10 30 CDEERP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001566693181 1168389694 /nfs/dbraw/zinc/38/96/94/1168389694.db2.gz PPZSTNMLVPTJGQ-LSDHHAIUSA-N 2 0 291.439 1.177 10 30 CDEERP C=CC[N@@H+](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001567309364 1168670794 /nfs/dbraw/zinc/67/07/94/1168670794.db2.gz YOWXPPLSLAQXDN-UHFFFAOYSA-N 2 0 275.396 1.596 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001569257968 1169738319 /nfs/dbraw/zinc/73/83/19/1169738319.db2.gz OHZLGPMWOMFQNU-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001569320804 1169764561 /nfs/dbraw/zinc/76/45/61/1169764561.db2.gz BKDUVVTXCKKFAU-INIZCTEOSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001570183677 1170104857 /nfs/dbraw/zinc/10/48/57/1170104857.db2.gz OZRYCTMDADUAPY-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC=C(C)C)CC1 ZINC001662426326 1172547952 /nfs/dbraw/zinc/54/79/52/1172547952.db2.gz XBEYJDWYSUPIBJ-OAHLLOKOSA-N 2 0 291.439 1.392 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001663415902 1172693016 /nfs/dbraw/zinc/69/30/16/1172693016.db2.gz VEJJZKZFVGGQSE-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccn2c(C)cnc2c1 ZINC001666902451 1173205110 /nfs/dbraw/zinc/20/51/10/1173205110.db2.gz IIHPUWCVINUWEN-GFCCVEGCSA-N 2 0 286.379 1.879 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001673898393 1173895067 /nfs/dbraw/zinc/89/50/67/1173895067.db2.gz POVTUOCQZJAONB-UONOGXRCSA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001675317470 1174102038 /nfs/dbraw/zinc/10/20/38/1174102038.db2.gz HEGZOAJJYCOFLI-LBPRGKRZSA-N 2 0 265.401 1.093 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001690278231 1175421781 /nfs/dbraw/zinc/42/17/81/1175421781.db2.gz BASAHRUIQCLXMV-KKUMJFAQSA-N 2 0 277.412 1.121 10 30 CDEERP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001690383275 1175457236 /nfs/dbraw/zinc/45/72/36/1175457236.db2.gz LLRWOCDOVLJKCI-CABCVRRESA-N 2 0 297.418 1.128 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001690788596 1175572037 /nfs/dbraw/zinc/57/20/37/1175572037.db2.gz STSWAEDDPTZBIR-CABCVRRESA-N 2 0 277.412 1.123 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001690849505 1175591185 /nfs/dbraw/zinc/59/11/85/1175591185.db2.gz DLMIHKIKZBDLLI-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001690849579 1175591465 /nfs/dbraw/zinc/59/14/65/1175591465.db2.gz GCTFQTMGMKZVRO-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001692131752 1175681280 /nfs/dbraw/zinc/68/12/80/1175681280.db2.gz IYKSWUNAKNGRGU-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001692380438 1175756214 /nfs/dbraw/zinc/75/62/14/1175756214.db2.gz TWEALNHJCHHMRJ-JYJNAYRXSA-N 2 0 291.439 1.580 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001698618585 1175874687 /nfs/dbraw/zinc/87/46/87/1175874687.db2.gz LIUSEGRVIWVZFM-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001698941400 1175990886 /nfs/dbraw/zinc/99/08/86/1175990886.db2.gz WTWSLHAUZQBMLX-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001699107819 1176096476 /nfs/dbraw/zinc/09/64/76/1176096476.db2.gz ONXHOJSVYGKUMV-GFCCVEGCSA-N 2 0 293.436 1.541 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001699662229 1176556419 /nfs/dbraw/zinc/55/64/19/1176556419.db2.gz KOBDINQFICKSHO-UHFFFAOYSA-N 2 0 299.418 1.276 10 30 CDEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001699869934 1176662318 /nfs/dbraw/zinc/66/23/18/1176662318.db2.gz WAZHOJLJANDBAP-DOTOQJQBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001699972761 1176704110 /nfs/dbraw/zinc/70/41/10/1176704110.db2.gz WTWWPYWSAJTORC-ZBFHGGJFSA-N 2 0 291.439 1.036 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001700273235 1176826267 /nfs/dbraw/zinc/82/62/67/1176826267.db2.gz GEFQJUGKZAMICD-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001700382941 1176889004 /nfs/dbraw/zinc/88/90/04/1176889004.db2.gz KWXHBOXJQWXQKI-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001700758666 1177116704 /nfs/dbraw/zinc/11/67/04/1177116704.db2.gz CIIRHVFMPZLFFN-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001700885479 1177177162 /nfs/dbraw/zinc/17/71/62/1177177162.db2.gz POWQNHNDXISFMJ-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001701007924 1177237507 /nfs/dbraw/zinc/23/75/07/1177237507.db2.gz RDCMZPXSMSLZMG-GDBMZVCRSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001707056265 1177931662 /nfs/dbraw/zinc/93/16/62/1177931662.db2.gz WNAKUBYJMSBNLT-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001713512843 1178617769 /nfs/dbraw/zinc/61/77/69/1178617769.db2.gz UBVDEDAHCSSGQS-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001713785041 1178752396 /nfs/dbraw/zinc/75/23/96/1178752396.db2.gz FGOSMFHXCQWCAC-UHFFFAOYSA-N 2 0 267.417 1.435 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)CC[NH+](C)C)C1 ZINC001713835767 1178784722 /nfs/dbraw/zinc/78/47/22/1178784722.db2.gz JPGXASNFNVYVKB-LBPRGKRZSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001714018798 1178930193 /nfs/dbraw/zinc/93/01/93/1178930193.db2.gz PECRWOIBFBRWEB-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001714114908 1178977557 /nfs/dbraw/zinc/97/75/57/1178977557.db2.gz KAQZEOQVHONHIU-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001714406599 1179126387 /nfs/dbraw/zinc/12/63/87/1179126387.db2.gz GTASXYUUSFYLDV-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001714412336 1179129037 /nfs/dbraw/zinc/12/90/37/1179129037.db2.gz MIEMGRLOGOTJPR-HOTGVXAUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001714703409 1179346523 /nfs/dbraw/zinc/34/65/23/1179346523.db2.gz DOFQOEVWNDTZQF-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001714867257 1179428520 /nfs/dbraw/zinc/42/85/20/1179428520.db2.gz NMCCZHCESKUSQU-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715362351 1179642566 /nfs/dbraw/zinc/64/25/66/1179642566.db2.gz LLLXGTWNNKCJCG-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001715432681 1179666926 /nfs/dbraw/zinc/66/69/26/1179666926.db2.gz APYXCDVCQBLYAA-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001715448533 1179669880 /nfs/dbraw/zinc/66/98/80/1179669880.db2.gz KSGBUSCSIQZHSV-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001715673039 1179758593 /nfs/dbraw/zinc/75/85/93/1179758593.db2.gz NUZAHKRJJVZMKQ-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001715916322 1179912030 /nfs/dbraw/zinc/91/20/30/1179912030.db2.gz WHJPQMMUDLLXRK-MVGZEHJDSA-N 2 0 277.412 1.146 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001716050828 1180022265 /nfs/dbraw/zinc/02/22/65/1180022265.db2.gz KAOZGVYALJLUTI-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001716062255 1180027955 /nfs/dbraw/zinc/02/79/55/1180027955.db2.gz DSJGAAKTPNYQQL-ZBFHGGJFSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001716549963 1180280657 /nfs/dbraw/zinc/28/06/57/1180280657.db2.gz NONJRLUZQTUXEX-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001716993117 1180495390 /nfs/dbraw/zinc/49/53/90/1180495390.db2.gz FTKHVLDKJAKMRS-LSDHHAIUSA-N 2 0 279.428 1.036 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001717151534 1180550399 /nfs/dbraw/zinc/55/03/99/1180550399.db2.gz SHSUAAFHABQMTN-ZIAGYGMSSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001717293533 1180608310 /nfs/dbraw/zinc/60/83/10/1180608310.db2.gz NFNRBPYTACNXLD-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001717373722 1180635195 /nfs/dbraw/zinc/63/51/95/1180635195.db2.gz ORDKYEQISYECPQ-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001717601531 1180754720 /nfs/dbraw/zinc/75/47/20/1180754720.db2.gz XHUFJIJYFROJGU-FPCVCCKLSA-N 2 0 291.439 1.198 10 30 CDEERP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001717623846 1180763311 /nfs/dbraw/zinc/76/33/11/1180763311.db2.gz NUTNQDPYMHVMDV-RRFJBIMHSA-N 2 0 279.428 1.341 10 30 CDEERP 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 1180776122 /nfs/dbraw/zinc/77/61/22/1180776122.db2.gz HHNBKVCQLIRNQB-LDKKBFSKSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001717804534 1180864315 /nfs/dbraw/zinc/86/43/15/1180864315.db2.gz FXJOHSUTENWIQI-ZIAGYGMSSA-N 2 0 267.417 1.482 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001724175247 1181648009 /nfs/dbraw/zinc/64/80/09/1181648009.db2.gz WLCJNKYEWGEDBR-OAHLLOKOSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001724335442 1181665674 /nfs/dbraw/zinc/66/56/74/1181665674.db2.gz ZROQCSYEDCVBQT-MRXNPFEDSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+](C)C ZINC001725033352 1181826618 /nfs/dbraw/zinc/82/66/18/1181826618.db2.gz VUYONDOBZRGCSW-SJLPKXTDSA-N 2 0 299.418 1.333 10 30 CDEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001725427847 1181997945 /nfs/dbraw/zinc/99/79/45/1181997945.db2.gz VNWQQPRGYRAVSC-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725470228 1182011458 /nfs/dbraw/zinc/01/14/58/1182011458.db2.gz LIGHMQBSBVTTMU-HIFRSBDPSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001725492474 1182023160 /nfs/dbraw/zinc/02/31/60/1182023160.db2.gz AEUDKUFEADNWPE-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001725496530 1182024895 /nfs/dbraw/zinc/02/48/95/1182024895.db2.gz DQBXSZLZZBBOOJ-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001731386612 1182349611 /nfs/dbraw/zinc/34/96/11/1182349611.db2.gz VYRDMHFPHCFGAQ-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CCN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732582384 1183027510 /nfs/dbraw/zinc/02/75/10/1183027510.db2.gz ZVAZRAIMKSFSII-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732907586 1183179895 /nfs/dbraw/zinc/17/98/95/1183179895.db2.gz BLWWHNIKKVGWCE-LFAOLKIESA-N 2 0 277.412 1.146 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001733052568 1183265946 /nfs/dbraw/zinc/26/59/46/1183265946.db2.gz DPIJLVBGHAGJFT-HUUCEWRRSA-N 2 0 279.428 1.319 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001733083652 1183282393 /nfs/dbraw/zinc/28/23/93/1183282393.db2.gz NLIKLRFHBKQTLX-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001733106315 1183292918 /nfs/dbraw/zinc/29/29/18/1183292918.db2.gz DRHBBFHMQFVKTJ-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001733221513 1183349737 /nfs/dbraw/zinc/34/97/37/1183349737.db2.gz CZMJXRQQVLQGQZ-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001733414259 1183425797 /nfs/dbraw/zinc/42/57/97/1183425797.db2.gz VWVRLLXGEAPNGL-WBVHZDCISA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001733960725 1183585915 /nfs/dbraw/zinc/58/59/15/1183585915.db2.gz YRGHBUBXKDTYQX-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001734474519 1183793319 /nfs/dbraw/zinc/79/33/19/1183793319.db2.gz HSFDGOZVYWUFBZ-CABCVRRESA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001734596507 1183840279 /nfs/dbraw/zinc/84/02/79/1183840279.db2.gz VQWSTTMRCUUKOA-YMAMQOFZSA-N 2 0 277.412 1.073 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001622172110 1165717972 /nfs/dbraw/zinc/71/79/72/1165717972.db2.gz PXXWBKOLKHIYQP-KBPBESRZSA-N 2 0 265.401 1.047 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000876708507 1165896997 /nfs/dbraw/zinc/89/69/97/1165896997.db2.gz SDBQSZNLLLLHJD-KBPBESRZSA-N 2 0 295.814 1.875 10 30 CDEERP C=CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000878198599 1166159279 /nfs/dbraw/zinc/15/92/79/1166159279.db2.gz NMRQRLQMFCLCNL-ZIAGYGMSSA-N 2 0 265.401 1.189 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001565856647 1168187907 /nfs/dbraw/zinc/18/79/07/1168187907.db2.gz PTTVKQRSVBOGRH-HRCADAONSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001567324504 1168679381 /nfs/dbraw/zinc/67/93/81/1168679381.db2.gz QPGGJIMJOQAXHC-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001567374071 1168716200 /nfs/dbraw/zinc/71/62/00/1168716200.db2.gz QFRPIYCPMBHHRX-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001266252355 893921463 /nfs/dbraw/zinc/92/14/63/893921463.db2.gz SBSFFOFAVSPLDM-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266285416 894125733 /nfs/dbraw/zinc/12/57/33/894125733.db2.gz XVFGRIRQQRYANT-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266399120 894699006 /nfs/dbraw/zinc/69/90/06/894699006.db2.gz LMMVUCYBCSVEFY-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001266411162 894750719 /nfs/dbraw/zinc/75/07/19/894750719.db2.gz OXJWTURBYPWEQB-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001266533591 895256359 /nfs/dbraw/zinc/25/63/59/895256359.db2.gz MTGXIRYONLXTQP-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267152507 896933128 /nfs/dbraw/zinc/93/31/28/896933128.db2.gz OCDMKTWIFIHCRZ-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001267211509 897161707 /nfs/dbraw/zinc/16/17/07/897161707.db2.gz WDULWLGESWHJTC-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001267217061 897180841 /nfs/dbraw/zinc/18/08/41/897180841.db2.gz WWFBLSRGHYGNCP-HOCLYGCPSA-N 2 0 295.471 1.975 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267580412 898515272 /nfs/dbraw/zinc/51/52/72/898515272.db2.gz WMORZCVUJWAMFP-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)Cn2ccnc2)C1 ZINC001267793891 899744554 /nfs/dbraw/zinc/74/45/54/899744554.db2.gz KNDUSRMSPNITSS-CQSZACIVSA-N 2 0 276.384 1.382 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001496366388 899928082 /nfs/dbraw/zinc/92/80/82/899928082.db2.gz BVNJBSQQMHHZRC-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP CC[NH+]=C(NC[C@H]1CCC[N@@H+]1CCOC)NC(C)(C)C ZINC000103895662 900036898 /nfs/dbraw/zinc/03/68/98/900036898.db2.gz LWEFOYCOLKDFFL-CYBMUJFWSA-N 2 0 284.448 1.451 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001481539134 901114141 /nfs/dbraw/zinc/11/41/41/901114141.db2.gz XUTPFPRPYVNPHU-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268079415 901121147 /nfs/dbraw/zinc/12/11/47/901121147.db2.gz BNLSJLREAFGTAV-ZNMIVQPWSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001268252811 901671438 /nfs/dbraw/zinc/67/14/38/901671438.db2.gz GQEVBJDLMGOHIF-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001268286403 901748671 /nfs/dbraw/zinc/74/86/71/901748671.db2.gz KFPNXMSZRIGYDV-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268471857 902249197 /nfs/dbraw/zinc/24/91/97/902249197.db2.gz UKBNOYSAGADTKW-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001481946042 902389177 /nfs/dbraw/zinc/38/91/77/902389177.db2.gz HKXRHRHUCSVZRT-PBHICJAKSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268648977 902890812 /nfs/dbraw/zinc/89/08/12/902890812.db2.gz AQPFNKSGTXIMNI-GDBMZVCRSA-N 2 0 291.439 1.511 10 30 CDEERP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001268731968 903051856 /nfs/dbraw/zinc/05/18/56/903051856.db2.gz DSKDSYHSNHVMGF-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C ZINC001284642562 904134441 /nfs/dbraw/zinc/13/44/41/904134441.db2.gz GIFOKNQPFHNTGM-ZDUSSCGKSA-N 2 0 267.417 1.082 10 30 CDEERP C=CCCC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001270624296 904832778 /nfs/dbraw/zinc/83/27/78/904832778.db2.gz OSNUQHUZWYRPFO-KRWDZBQOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001270650592 904884212 /nfs/dbraw/zinc/88/42/12/904884212.db2.gz WUJYCUHOAMEZQB-HOCLYGCPSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482392896 905290329 /nfs/dbraw/zinc/29/03/29/905290329.db2.gz JXPGFXFBKVGMAB-JKSUJKDBSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482628315 908077501 /nfs/dbraw/zinc/07/75/01/908077501.db2.gz NARFLLXKMBRAFH-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482899488 908466907 /nfs/dbraw/zinc/46/69/07/908466907.db2.gz QICORTMCZZKVDI-NEPJUHHUSA-N 2 0 273.808 1.175 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483037821 908766157 /nfs/dbraw/zinc/76/61/57/908766157.db2.gz QUYSZTNTSUCILX-HJWRWDBZSA-N 2 0 293.455 1.947 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001483198041 909958358 /nfs/dbraw/zinc/95/83/58/909958358.db2.gz VKLKMXXNAPUHOL-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001483502078 911201481 /nfs/dbraw/zinc/20/14/81/911201481.db2.gz AZNIAVPZGBKPHA-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484126472 915448298 /nfs/dbraw/zinc/44/82/98/915448298.db2.gz WPPCWKOFUUIMCD-DZGCQCFKSA-N 2 0 299.846 1.519 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001485320707 916808012 /nfs/dbraw/zinc/80/80/12/916808012.db2.gz RHWIXQAYKRGHTL-ZIAGYGMSSA-N 2 0 290.411 1.458 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001491171562 936868785 /nfs/dbraw/zinc/86/87/85/936868785.db2.gz ZIZZGWQFKOEGIT-JKSUJKDBSA-N 2 0 293.455 1.424 10 30 CDEERP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001490599247 927249284 /nfs/dbraw/zinc/24/92/84/927249284.db2.gz QHHGFTMFHJVSCC-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001490665763 927276562 /nfs/dbraw/zinc/27/65/62/927276562.db2.gz TXNGOPDOKGALGJ-HRCADAONSA-N 2 0 291.439 1.224 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC3(C2)CC[NH2+]CC3)CCC[NH2+]1 ZINC000852875507 927905383 /nfs/dbraw/zinc/90/53/83/927905383.db2.gz YKAFVZNCSSMADG-INIZCTEOSA-N 2 0 277.412 1.287 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000852898527 927911988 /nfs/dbraw/zinc/91/19/88/927911988.db2.gz RXQZTEYLNZGVNU-CVEARBPZSA-N 2 0 289.423 1.123 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001274393878 931496612 /nfs/dbraw/zinc/49/66/12/931496612.db2.gz SNZXAOPAHQDTRY-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001322194320 931679966 /nfs/dbraw/zinc/67/99/66/931679966.db2.gz RBIQUUONOHBXNV-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCOCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925633435 932918995 /nfs/dbraw/zinc/91/89/95/932918995.db2.gz WJCMGCOCVXLJFD-HUUCEWRRSA-N 2 0 252.402 1.947 10 30 CDEERP N#Cc1ccc(NCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)nc1 ZINC000925894073 932950347 /nfs/dbraw/zinc/95/03/47/932950347.db2.gz UCJMDAQFAJJAPA-STQMWFEESA-N 2 0 271.368 1.225 10 30 CDEERP C[NH+](C)CC1(O)CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000931479635 933569588 /nfs/dbraw/zinc/56/95/88/933569588.db2.gz WDQVDGHVEKXVOR-UHFFFAOYSA-N 2 0 279.428 1.705 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC)CC1 ZINC001037120393 934869494 /nfs/dbraw/zinc/86/94/94/934869494.db2.gz ILXSBXAKOSOOBU-JKSUJKDBSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001278258955 945219199 /nfs/dbraw/zinc/21/91/99/945219199.db2.gz IVQGVXMJNIDQIT-LSDHHAIUSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001568678586 1169427086 /nfs/dbraw/zinc/42/70/86/1169427086.db2.gz VJLQSCPKFJHGEU-AWEZNQCLSA-N 2 0 281.444 1.472 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001277225556 942197236 /nfs/dbraw/zinc/19/72/36/942197236.db2.gz WAKWNZVKLRWOIG-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001281404530 942571784 /nfs/dbraw/zinc/57/17/84/942571784.db2.gz BIESVOZQPGVBHO-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001282230268 942680343 /nfs/dbraw/zinc/68/03/43/942680343.db2.gz OYMOAIRXCYYFTE-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001282652958 942735500 /nfs/dbraw/zinc/73/55/00/942735500.db2.gz CQRWKKSUZGVGOO-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001282834515 942757003 /nfs/dbraw/zinc/75/70/03/942757003.db2.gz WVQWWFFOFKKIPD-ZIAGYGMSSA-N 2 0 281.444 1.585 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001277678549 943319384 /nfs/dbraw/zinc/31/93/84/943319384.db2.gz VZKUPPDVUQXAIR-HNNXBMFYSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[N@@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001265051026 944215409 /nfs/dbraw/zinc/21/54/09/944215409.db2.gz VKHBOHMZJPVKCS-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001265092798 944226891 /nfs/dbraw/zinc/22/68/91/944226891.db2.gz VCLIPHZPTAHJHO-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001265093281 944228175 /nfs/dbraw/zinc/22/81/75/944228175.db2.gz YIERNQDVTVGJLH-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265312095 944337654 /nfs/dbraw/zinc/33/76/54/944337654.db2.gz HFXVYEYGVCWBGQ-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001265378159 944365651 /nfs/dbraw/zinc/36/56/51/944365651.db2.gz HTRIZYNDEPJVNY-KGLIPLIRSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001265390494 944370979 /nfs/dbraw/zinc/37/09/79/944370979.db2.gz GPKKIEQMXYSNGW-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001265390495 944371590 /nfs/dbraw/zinc/37/15/90/944371590.db2.gz GPKKIEQMXYSNGW-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001265596987 944442726 /nfs/dbraw/zinc/44/27/26/944442726.db2.gz OAFZZMXJSOVWOU-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265655993 944458558 /nfs/dbraw/zinc/45/85/58/944458558.db2.gz UDKJUMMIKFIKTQ-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001265814979 944519847 /nfs/dbraw/zinc/51/98/47/944519847.db2.gz KXDWZQBJMGLVHX-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265907065 944568564 /nfs/dbraw/zinc/56/85/64/944568564.db2.gz YWZPGTQAUFREGI-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266153182 944718580 /nfs/dbraw/zinc/71/85/80/944718580.db2.gz ZTWVNFAZHOIRQQ-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001279387888 944798920 /nfs/dbraw/zinc/79/89/20/944798920.db2.gz DXEAPRMPTBVOIK-GASCZTMLSA-N 2 0 291.439 1.295 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001496064263 971194172 /nfs/dbraw/zinc/19/41/72/971194172.db2.gz PRVVNTGMTNLFLC-SOUVJXGZSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001479401224 971319536 /nfs/dbraw/zinc/31/95/36/971319536.db2.gz YTOFKRQUTJGRPC-SHTZXODSSA-N 2 0 293.455 1.472 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001479831277 971439350 /nfs/dbraw/zinc/43/93/50/971439350.db2.gz DKWBQORDFKYYQG-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001331601254 947982350 /nfs/dbraw/zinc/98/23/50/947982350.db2.gz SEORRVFOAQWVGN-CQSZACIVSA-N 2 0 297.443 1.110 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001480020314 971540385 /nfs/dbraw/zinc/54/03/85/971540385.db2.gz RICKBTZTLCKAMM-CABCVRRESA-N 2 0 279.428 1.530 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001480090340 971572559 /nfs/dbraw/zinc/57/25/59/971572559.db2.gz YVTJFCGOCHBLIN-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001480227134 971637650 /nfs/dbraw/zinc/63/76/50/971637650.db2.gz ACRYELJGPKIXGM-RWMBFGLXSA-N 2 0 276.384 1.401 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001493028423 971926816 /nfs/dbraw/zinc/92/68/16/971926816.db2.gz BMHVFXGRRKSJOJ-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001324753990 953561488 /nfs/dbraw/zinc/56/14/88/953561488.db2.gz ZRSKGJLCFBXASW-INIZCTEOSA-N 2 0 289.423 1.076 10 30 CDEERP C#CC[NH+]1CCC[C@](C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001324971799 953663554 /nfs/dbraw/zinc/66/35/54/953663554.db2.gz LDJLYAIGPPWYEA-DOTOQJQBSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001325920221 954142368 /nfs/dbraw/zinc/14/23/68/954142368.db2.gz XQCRTGYBUFVOEB-HOTGVXAUSA-N 2 0 291.439 1.415 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001569174446 1169702550 /nfs/dbraw/zinc/70/25/50/1169702550.db2.gz KCVHNYWTJJLIAE-LSDHHAIUSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCC1 ZINC001326873644 954596021 /nfs/dbraw/zinc/59/60/21/954596021.db2.gz CYICHRXINJIQRF-UHFFFAOYSA-N 2 0 267.417 1.533 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001329575481 955995677 /nfs/dbraw/zinc/99/56/77/955995677.db2.gz TYIHLOIFQKQHHU-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCN1CC[C@H](N(CCC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001493971685 972146479 /nfs/dbraw/zinc/14/64/79/972146479.db2.gz PIHAPZYLPQXYTQ-LSDHHAIUSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001330598419 956505345 /nfs/dbraw/zinc/50/53/45/956505345.db2.gz CNIIEBTVHUQDJY-RBSFLKMASA-N 2 0 279.428 1.530 10 30 CDEERP C=CCC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317536379 956825189 /nfs/dbraw/zinc/82/51/89/956825189.db2.gz YRYPCRMVWBRDKS-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(Cl)C[N@H+](CC)CCCNC(=O)C[NH+]1CCCC1 ZINC001316909952 957115769 /nfs/dbraw/zinc/11/57/69/957115769.db2.gz XIIUNNNIQRBCOF-UHFFFAOYSA-N 2 0 287.835 1.663 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001317046103 957225398 /nfs/dbraw/zinc/22/53/98/957225398.db2.gz VGKCJXGOLQMAKW-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317206058 957341071 /nfs/dbraw/zinc/34/10/71/957341071.db2.gz RANQLDRWCNGLAO-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001331929401 957343689 /nfs/dbraw/zinc/34/36/89/957343689.db2.gz QYEFVGMIQCKVRI-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317435279 957468930 /nfs/dbraw/zinc/46/89/30/957468930.db2.gz QVOIDFVAOLIRFF-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001317544844 957541294 /nfs/dbraw/zinc/54/12/94/957541294.db2.gz SXPLEIGFHVDTMT-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001317561037 957555772 /nfs/dbraw/zinc/55/57/72/957555772.db2.gz FHKSQJCQRXDMOB-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001317598052 957590087 /nfs/dbraw/zinc/59/00/87/957590087.db2.gz FXQKJQNOXMQCCQ-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001317678532 957636785 /nfs/dbraw/zinc/63/67/85/957636785.db2.gz FOZIJZYHAXYJFJ-HOCLYGCPSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317761245 957655289 /nfs/dbraw/zinc/65/52/89/957655289.db2.gz IDGSFSHODYUYGR-HZPDHXFCSA-N 2 0 293.455 1.663 10 30 CDEERP C#CCN(C)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001332732908 957694514 /nfs/dbraw/zinc/69/45/14/957694514.db2.gz UIQPMGCWMYGHNG-OAHLLOKOSA-N 2 0 279.428 1.130 10 30 CDEERP C#CCN(C)CCN(C(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001332736084 957699547 /nfs/dbraw/zinc/69/95/47/957699547.db2.gz VWNADRUFJREHET-UHFFFAOYSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001320058256 958907025 /nfs/dbraw/zinc/90/70/25/958907025.db2.gz JZMILBOQJLXSNV-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001321334526 959728832 /nfs/dbraw/zinc/72/88/32/959728832.db2.gz AWJBHBONZQWOEI-ZWOPJXCPSA-N 2 0 291.439 1.392 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001321533235 959839552 /nfs/dbraw/zinc/83/95/52/959839552.db2.gz SWAIZMIBIICTLP-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001322003885 960050486 /nfs/dbraw/zinc/05/04/86/960050486.db2.gz GCQRRMNXBMUXDO-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001322306146 960176558 /nfs/dbraw/zinc/17/65/58/960176558.db2.gz IHXVMIIFWVCKLY-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001322793366 960323690 /nfs/dbraw/zinc/32/36/90/960323690.db2.gz SFARSAUGBPDGJP-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC001323479652 960762844 /nfs/dbraw/zinc/76/28/44/960762844.db2.gz KKEVAMMYAJESNT-CYBMUJFWSA-N 2 0 288.395 1.260 10 30 CDEERP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001437973222 963261890 /nfs/dbraw/zinc/26/18/90/963261890.db2.gz FOJYKOKHMPNUMI-KBPBESRZSA-N 2 0 299.846 1.613 10 30 CDEERP C=CC[C@]1(C(=O)N(C)CC2CC[NH2+]CC2)CCC[NH2+]1 ZINC001342783209 963823683 /nfs/dbraw/zinc/82/36/83/963823683.db2.gz GASRUXDNJIFSMG-OAHLLOKOSA-N 2 0 265.401 1.143 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)C1CC[NH2+]CC1 ZINC001342851685 963841259 /nfs/dbraw/zinc/84/12/59/963841259.db2.gz GLKKAGTWNFNMQW-NSHDSACASA-N 2 0 259.781 1.057 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001347814383 965710678 /nfs/dbraw/zinc/71/06/78/965710678.db2.gz VAIVPKKZGTXWLQ-HNNXBMFYSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001479962483 966346959 /nfs/dbraw/zinc/34/69/59/966346959.db2.gz VVXDYQNQDIHDMN-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001350585816 966701091 /nfs/dbraw/zinc/70/10/91/966701091.db2.gz PTYKXGOJHLJVIZ-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001496097967 972792233 /nfs/dbraw/zinc/79/22/33/972792233.db2.gz JSSRKLNKNDZXRJ-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001496249247 972859347 /nfs/dbraw/zinc/85/93/47/972859347.db2.gz OKDPKWDSYAOHKW-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497586692 973422121 /nfs/dbraw/zinc/42/21/21/973422121.db2.gz XTSQAJWRIKUGKX-HLMASZERSA-N 2 0 265.401 1.165 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001497842493 973547047 /nfs/dbraw/zinc/54/70/47/973547047.db2.gz KLDWEARNHMFABX-CQSZACIVSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374271883 973869850 /nfs/dbraw/zinc/86/98/50/973869850.db2.gz QUEXZYIERJYMOH-OLZOCXBDSA-N 2 0 287.835 1.660 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001498901074 974100485 /nfs/dbraw/zinc/10/04/85/974100485.db2.gz CDEFXCIBBQSHFM-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001499248395 974222127 /nfs/dbraw/zinc/22/21/27/974222127.db2.gz HBGWTLBMEFPOIV-HNNXBMFYSA-N 2 0 289.423 1.265 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001499858413 974315152 /nfs/dbraw/zinc/31/51/52/974315152.db2.gz VVSTYDABEUAHNQ-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001499909535 974332047 /nfs/dbraw/zinc/33/20/47/974332047.db2.gz WSWRYDZGVZFRLZ-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001377008759 974850507 /nfs/dbraw/zinc/85/05/07/974850507.db2.gz CUFIFKKWISDADE-NEPJUHHUSA-N 2 0 273.808 1.318 10 30 CDEERP C#CC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001505400175 974859573 /nfs/dbraw/zinc/85/95/73/974859573.db2.gz FSCOISQIGGGUBE-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001505450003 974883884 /nfs/dbraw/zinc/88/38/84/974883884.db2.gz SXXJIKDOHKAIID-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001505526500 974901363 /nfs/dbraw/zinc/90/13/63/974901363.db2.gz UKLGADNABRCYHU-UHFFFAOYSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCC(=C)C ZINC001505938193 975050584 /nfs/dbraw/zinc/05/05/84/975050584.db2.gz UTYSZVBIKRGORQ-CVEARBPZSA-N 2 0 291.439 1.487 10 30 CDEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001506652626 975197640 /nfs/dbraw/zinc/19/76/40/975197640.db2.gz GIJFHHHKFMQLSJ-HIFRSBDPSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001508142396 975622522 /nfs/dbraw/zinc/62/25/22/975622522.db2.gz XCTCGDPGPUHUIH-JXQTWKCFSA-N 2 0 267.417 1.482 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001508153984 975623093 /nfs/dbraw/zinc/62/30/93/975623093.db2.gz DCHWKWTVNFUBPZ-GPANFISMSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001402776528 976478568 /nfs/dbraw/zinc/47/85/68/976478568.db2.gz XVIOPKPGKPYKOB-CYBMUJFWSA-N 2 0 299.846 1.804 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001381432455 976823585 /nfs/dbraw/zinc/82/35/85/976823585.db2.gz GKQVOXFWNTUPDZ-RYUDHWBXSA-N 2 0 275.824 1.564 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001393905377 977953519 /nfs/dbraw/zinc/95/35/19/977953519.db2.gz LLPRUKSNSVETDJ-OTTFEQOBSA-N 2 0 285.819 1.175 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001676754598 1174266834 /nfs/dbraw/zinc/26/68/34/1174266834.db2.gz GHNHGQNRAAMYEH-KBPBESRZSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001677033319 1174309480 /nfs/dbraw/zinc/30/94/80/1174309480.db2.gz XETRJAYOIKICFJ-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001677281472 1174344511 /nfs/dbraw/zinc/34/45/11/1174344511.db2.gz JLRZNOZABKKSCV-ZIAGYGMSSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001570197793 1170102469 /nfs/dbraw/zinc/10/24/69/1170102469.db2.gz UKWNLFNRALUFHF-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570747643 1170266776 /nfs/dbraw/zinc/26/67/76/1170266776.db2.gz KFIALMNJLAFDQM-QWHCGFSZSA-N 2 0 255.406 1.339 10 30 CDEERP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001570905506 1170315180 /nfs/dbraw/zinc/31/51/80/1170315180.db2.gz UVQFYLWMDAMQIM-LSDHHAIUSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001571326148 1170366268 /nfs/dbraw/zinc/36/62/68/1170366268.db2.gz OPWZPSRTPWVYRW-INIZCTEOSA-N 2 0 293.455 1.760 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001571565595 1170478752 /nfs/dbraw/zinc/47/87/52/1170478752.db2.gz CFGCHTMBHVAQJF-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001656452173 1171827319 /nfs/dbraw/zinc/82/73/19/1171827319.db2.gz DMGWKAQVQVNNEG-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000594438733 342906377 /nfs/dbraw/zinc/90/63/77/342906377.db2.gz KUJGYVHNQBQMRN-LSDHHAIUSA-N 2 0 292.427 1.388 10 30 CDEERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440058 342907121 /nfs/dbraw/zinc/90/71/21/342907121.db2.gz YWXMLKQMEHWNOG-CABCVRRESA-N 2 0 294.443 1.730 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000594443236 342907995 /nfs/dbraw/zinc/90/79/95/342907995.db2.gz BDBHPZAMWSTJLE-CHWSQXEVSA-N 2 0 266.389 1.128 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000594443626 342908198 /nfs/dbraw/zinc/90/81/98/342908198.db2.gz GDUXMGOHELVYGD-HUUCEWRRSA-N 2 0 292.427 1.246 10 30 CDEERP CC(C)C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)NCC[NH+](C)C ZINC000442849032 362095950 /nfs/dbraw/zinc/09/59/50/362095950.db2.gz ZWNBIAHQLGCBEJ-KKUMJFAQSA-N 2 0 294.443 1.361 10 30 CDEERP C=CC[NH+](CC=C)[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)C(C)C ZINC000638068071 367969865 /nfs/dbraw/zinc/96/98/65/367969865.db2.gz GISVPSZMGYVICB-HZPDHXFCSA-N 2 0 291.439 1.849 10 30 CDEERP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001661555063 1172405381 /nfs/dbraw/zinc/40/53/81/1172405381.db2.gz IMDNHXSGSZBPNA-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001661817820 1172450869 /nfs/dbraw/zinc/45/08/69/1172450869.db2.gz CBAJEPFEJHVMBU-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001662350854 1172534452 /nfs/dbraw/zinc/53/44/52/1172534452.db2.gz NYDGPPRGGSKXDX-ZIAGYGMSSA-N 2 0 267.417 1.530 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001662993857 1172625390 /nfs/dbraw/zinc/62/53/90/1172625390.db2.gz FJDQBWMRZFFUKL-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CCC[NH2+]1 ZINC000662412435 412979952 /nfs/dbraw/zinc/97/99/52/412979952.db2.gz FMSXOJXSZIHIQE-GDBMZVCRSA-N 2 0 273.380 1.501 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCC[NH2+]1 ZINC000662419011 412993620 /nfs/dbraw/zinc/99/36/20/412993620.db2.gz ZHAULOKTATUFDM-GOEBONIOSA-N 2 0 279.428 1.709 10 30 CDEERP C=CC[C@@]1(C(=O)N(C)CC(C)(C)C[NH3+])CCC[NH2+]1 ZINC000662426850 413003141 /nfs/dbraw/zinc/00/31/41/413003141.db2.gz FUDALGDILPWBNK-AWEZNQCLSA-N 2 0 253.390 1.128 10 30 CDEERP C=C(C)CC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001663184951 1172652154 /nfs/dbraw/zinc/65/21/54/1172652154.db2.gz HKXBMPILCYFKDH-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP CC(C)[NH+]1CCC([N@H+](C)CCOCCC#N)CC1 ZINC000338953280 391233637 /nfs/dbraw/zinc/23/36/37/391233637.db2.gz KGVDHWIZZQXRLE-UHFFFAOYSA-N 2 0 253.390 1.721 10 30 CDEERP C=CC[C@]1(C(=O)NCC[N@@H+](C)CCCC)CCC[NH2+]1 ZINC000662701812 413348076 /nfs/dbraw/zinc/34/80/76/413348076.db2.gz SLLNQALCZWDPMP-OAHLLOKOSA-N 2 0 267.417 1.533 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)CCC[NH2+]1 ZINC000662776069 413480373 /nfs/dbraw/zinc/48/03/73/413480373.db2.gz UGSHGLWSONGVBR-VNHYZAJKSA-N 2 0 265.401 1.271 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCC[NH2+]1 ZINC000662804024 413522431 /nfs/dbraw/zinc/52/24/31/413522431.db2.gz NVZNMOFNDCAYCQ-BFYDXBDKSA-N 2 0 291.439 1.627 10 30 CDEERP C=CC[C@@]1(C(=O)Nc2ccn(CC[NH+](C)C)n2)CCC[NH2+]1 ZINC000662704904 424347616 /nfs/dbraw/zinc/34/76/16/424347616.db2.gz LQXXJOLJIOBOIL-HNNXBMFYSA-N 2 0 291.399 1.082 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662855264 424528666 /nfs/dbraw/zinc/52/86/66/424528666.db2.gz WCKAWTUAKUYEIC-CJNGLKHVSA-N 2 0 279.428 1.674 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001668326707 1173397537 /nfs/dbraw/zinc/39/75/37/1173397537.db2.gz UQNWBRIFLCBWTH-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001672897563 1173807484 /nfs/dbraw/zinc/80/74/84/1173807484.db2.gz SJJQQKPHLSWJRE-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267032709 1159094283 /nfs/dbraw/zinc/09/42/83/1159094283.db2.gz LGTICAIGIPUOMZ-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001691473749 1159333697 /nfs/dbraw/zinc/33/36/97/1159333697.db2.gz UYOXXTYQUUWYSZ-OKILXGFUSA-N 2 0 277.412 1.143 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001698858960 1175966563 /nfs/dbraw/zinc/96/65/63/1175966563.db2.gz XGKSXXGLVJZSTP-KBPBESRZSA-N 2 0 267.417 1.032 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001700753495 1177115724 /nfs/dbraw/zinc/11/57/24/1177115724.db2.gz WIQQLBPXINCETD-LBPRGKRZSA-N 2 0 253.390 1.093 10 30 CDEERP CC(C)C[N@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049608988 519708883 /nfs/dbraw/zinc/70/88/83/519708883.db2.gz GHLZGIVIMWFIAP-UHFFFAOYSA-N 2 0 260.381 1.963 10 30 CDEERP CCCN(CC[NH+](C)C)Cc1ccc(C#CC[NH3+])cc1F ZINC000045707165 521657718 /nfs/dbraw/zinc/65/77/18/521657718.db2.gz LMVYFJDNZUOJNF-UHFFFAOYSA-N 2 0 291.414 1.910 10 30 CDEERP CCC[N@H+](CCO)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609664 521667441 /nfs/dbraw/zinc/66/74/41/521667441.db2.gz ZBSOAHMXWPCIDN-UHFFFAOYSA-N 2 0 264.344 1.340 10 30 CDEERP CC[NH+]1CCN(Cc2ccc(F)c(C#CC[NH3+])c2)CC1 ZINC000049608716 521687768 /nfs/dbraw/zinc/68/77/68/521687768.db2.gz CAVMJZYLIQBWOV-UHFFFAOYSA-N 2 0 275.371 1.273 10 30 CDEERP COC[C@@H](C)[N@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609569 522215120 /nfs/dbraw/zinc/21/51/20/522215120.db2.gz CLNQJILKAAAKDB-CQSZACIVSA-N 2 0 276.380 1.342 10 30 CDEERP CN[C@H](C#N)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062439512 522435529 /nfs/dbraw/zinc/43/55/29/522435529.db2.gz ANBJKIPVBFYCKJ-HNNXBMFYSA-N 2 0 264.417 1.296 10 30 CDEERP O=C(C[N@H+]1CC[C@H](CCO)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329619162 538595081 /nfs/dbraw/zinc/59/50/81/538595081.db2.gz QTGWDRMKMZGPQA-CYBMUJFWSA-N 2 0 295.427 1.274 10 30 CDEERP C#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941158741 613259551 /nfs/dbraw/zinc/25/95/51/613259551.db2.gz UZLNINXMTNSIKC-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940843110 613785182 /nfs/dbraw/zinc/78/51/82/613785182.db2.gz XGVYHMRFFSENNV-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP Cc1cccc(NC(=[NH2+])NCCN2CCC[N@@H+](C)CC2)c1 ZINC000104175046 617483739 /nfs/dbraw/zinc/48/37/39/617483739.db2.gz QQGFUCDIVDCDTR-UHFFFAOYSA-N 2 0 289.427 1.359 10 30 CDEERP N#Cc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925714885 617827069 /nfs/dbraw/zinc/82/70/69/617827069.db2.gz YHVWKUNKHOAOTM-GJZGRUSLSA-N 2 0 255.365 1.960 10 30 CDEERP C#CC[N@@H+](C)CCCNCc1ccc(OCC)o1 ZINC000894638474 619000285 /nfs/dbraw/zinc/00/02/85/619000285.db2.gz BQDXDEYJOGUFTG-UHFFFAOYSA-N 2 0 250.342 1.723 10 30 CDEERP C=C(C)C[C@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000895714116 619810952 /nfs/dbraw/zinc/81/09/52/619810952.db2.gz ZAGSGBGCUCCNBV-OAHLLOKOSA-N 2 0 275.396 1.967 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000900054894 622671158 /nfs/dbraw/zinc/67/11/58/622671158.db2.gz ZIMMTOJIUYIBLS-UHFFFAOYSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000900695927 623353879 /nfs/dbraw/zinc/35/38/79/623353879.db2.gz TYVACOQJTOXWSC-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000912764518 630195445 /nfs/dbraw/zinc/19/54/45/630195445.db2.gz AEVKJFQRJQPPOD-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000913655771 630729116 /nfs/dbraw/zinc/72/91/16/630729116.db2.gz ZUGVNBNUEHBQER-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001670507713 1158624266 /nfs/dbraw/zinc/62/42/66/1158624266.db2.gz SCCNQGYMGJOTKT-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP C[C@H]([NH2+]CC#CC[NH2+][C@@H](C)c1cn[nH]c1)c1cn[nH]c1 ZINC000792878649 1162374593 /nfs/dbraw/zinc/37/45/93/1162374593.db2.gz YDSMOUQVWVDXSL-RYUDHWBXSA-N 2 0 272.356 1.138 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001269083903 1160029495 /nfs/dbraw/zinc/02/94/95/1160029495.db2.gz HQJJBYSETBDMQD-HZPDHXFCSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001700651741 1160709171 /nfs/dbraw/zinc/70/91/71/1160709171.db2.gz OPYFICHLANEIHS-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001670903702 1161347529 /nfs/dbraw/zinc/34/75/29/1161347529.db2.gz PLVQMNZWCWCAST-UHFFFAOYSA-N 2 0 299.418 1.624 10 30 CDEERP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)[C@H]([NH3+])CCCC#N ZINC000867988097 1164894240 /nfs/dbraw/zinc/89/42/40/1164894240.db2.gz UDGACUQJJIDBEG-TZMCWYRMSA-N 2 0 286.379 1.833 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973486 1165244939 /nfs/dbraw/zinc/24/49/39/1165244939.db2.gz XUQIZPRZSTZTHI-XJFOESAGSA-N 2 0 278.400 1.044 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC001618195583 1165623374 /nfs/dbraw/zinc/62/33/74/1165623374.db2.gz PWEAHKIGDVXFLT-CQSZACIVSA-N 2 0 291.395 1.651 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000876726310 1165900703 /nfs/dbraw/zinc/90/07/03/1165900703.db2.gz CZZLIDRLUHXPSX-PWSUYJOCSA-N 2 0 291.848 1.010 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000876883591 1165932494 /nfs/dbraw/zinc/93/24/94/1165932494.db2.gz KMLCAGPETVAWLJ-HZSPNIEDSA-N 2 0 299.846 1.930 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000876946666 1165946114 /nfs/dbraw/zinc/94/61/14/1165946114.db2.gz NZGAMSOTVKJLGA-LOWVWBTDSA-N 2 0 271.792 1.044 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000876956986 1165949077 /nfs/dbraw/zinc/94/90/77/1165949077.db2.gz PWIJKLJODXKTRO-UONOGXRCSA-N 2 0 299.846 1.695 10 30 CDEERP C#CC[N@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001566928132 1166844019 /nfs/dbraw/zinc/84/40/19/1166844019.db2.gz ABXUKZKUSHOIJY-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001566497928 1168311614 /nfs/dbraw/zinc/31/16/14/1168311614.db2.gz MMYPAKRULXEHQY-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001566755652 1168408777 /nfs/dbraw/zinc/40/87/77/1168408777.db2.gz OCWDRLCYVRYTHQ-OKILXGFUSA-N 2 0 265.401 1.189 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001569303106 1169755859 /nfs/dbraw/zinc/75/58/59/1169755859.db2.gz JHYIHNLAMZJMSZ-JKSUJKDBSA-N 2 0 291.439 1.389 10 30 CDEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001569712790 1169974861 /nfs/dbraw/zinc/97/48/61/1169974861.db2.gz ZRHMRDYUBNNSGB-HOCLYGCPSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001571126466 1170339489 /nfs/dbraw/zinc/33/94/89/1170339489.db2.gz XHQLLZQFHOZIGR-JOCQHMNTSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001571638648 1170504747 /nfs/dbraw/zinc/50/47/47/1170504747.db2.gz VUEYJKJLTZPXKP-ZIAGYGMSSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001662641588 1172574043 /nfs/dbraw/zinc/57/40/43/1172574043.db2.gz SNIQBEMWMBDYQU-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001662797238 1172596184 /nfs/dbraw/zinc/59/61/84/1172596184.db2.gz PDUZAHXOCLUJBI-GJZGRUSLSA-N 2 0 281.444 1.920 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001662797237 1172596222 /nfs/dbraw/zinc/59/62/22/1172596222.db2.gz PDUZAHXOCLUJBI-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001665350036 1172983869 /nfs/dbraw/zinc/98/38/69/1172983869.db2.gz FONLQUDIAIMVGR-ZFWWWQNUSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001665731946 1173048672 /nfs/dbraw/zinc/04/86/72/1173048672.db2.gz PEWVKTROKSLHPV-JKSUJKDBSA-N 2 0 293.455 1.663 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001689960443 1175324465 /nfs/dbraw/zinc/32/44/65/1175324465.db2.gz MGNVTIKYFYJWBJ-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001690029104 1175350025 /nfs/dbraw/zinc/35/00/25/1175350025.db2.gz TWQHYCKXEOGODI-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001690197958 1175401688 /nfs/dbraw/zinc/40/16/88/1175401688.db2.gz YUVCWHOCTMMKES-INIZCTEOSA-N 2 0 293.455 1.522 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001690340725 1175443672 /nfs/dbraw/zinc/44/36/72/1175443672.db2.gz BASAHRUIQCLXMV-QLFBSQMISA-N 2 0 277.412 1.121 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001690755488 1175566022 /nfs/dbraw/zinc/56/60/22/1175566022.db2.gz HKPPJHPXGNYTLO-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001692384724 1175757082 /nfs/dbraw/zinc/75/70/82/1175757082.db2.gz YGDOREKVLOILNN-KKUMJFAQSA-N 2 0 277.412 1.189 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001698573481 1175851262 /nfs/dbraw/zinc/85/12/62/1175851262.db2.gz DLEGNKUIJCTMDX-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001698604286 1175868560 /nfs/dbraw/zinc/86/85/60/1175868560.db2.gz IRHRLYKMWZJUAL-CHWSQXEVSA-N 2 0 255.406 1.387 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)CCC)cc1 ZINC001698719170 1175902456 /nfs/dbraw/zinc/90/24/56/1175902456.db2.gz IBFBWPLOHSLAPK-UHFFFAOYSA-N 2 0 287.407 1.367 10 30 CDEERP CC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001699001046 1176030651 /nfs/dbraw/zinc/03/06/51/1176030651.db2.gz LFPMXLXGFIMJEE-HOTGVXAUSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001699323455 1176222262 /nfs/dbraw/zinc/22/22/62/1176222262.db2.gz DLOYQWFQYUOEHX-SNAWJCMRSA-N 2 0 265.401 1.166 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001699335847 1176257752 /nfs/dbraw/zinc/25/77/52/1176257752.db2.gz MADMQEJDTAEAJT-XEVLESSRSA-N 2 0 279.428 1.555 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001699411263 1176375905 /nfs/dbraw/zinc/37/59/05/1176375905.db2.gz KCGIQHISYSSTEX-NSHDSACASA-N 2 0 272.352 1.537 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699422016 1176386203 /nfs/dbraw/zinc/38/62/03/1176386203.db2.gz VSHPQPLIPCHOBL-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001699467287 1176430019 /nfs/dbraw/zinc/43/00/19/1176430019.db2.gz ILNBULNSFWCDSZ-AWEZNQCLSA-N 2 0 267.417 1.178 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001699836468 1176650595 /nfs/dbraw/zinc/65/05/95/1176650595.db2.gz IWQZVRWYHDEELQ-ZMSDIMECSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001699969906 1176701416 /nfs/dbraw/zinc/70/14/16/1176701416.db2.gz QGQACAGWRLNHMH-CABCVRRESA-N 2 0 293.455 1.282 10 30 CDEERP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001699989486 1176709577 /nfs/dbraw/zinc/70/95/77/1176709577.db2.gz IORGCMALHJLVCJ-IYBDPMFKSA-N 2 0 293.455 1.685 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001700081744 1176741171 /nfs/dbraw/zinc/74/11/71/1176741171.db2.gz SYJLJBVUACBOKY-XHSDSOJGSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001700284990 1176830608 /nfs/dbraw/zinc/83/06/08/1176830608.db2.gz BXYJAKRYWOVQCF-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001700545404 1177008111 /nfs/dbraw/zinc/00/81/11/1177008111.db2.gz IEYNXJZCRGVALS-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001700824688 1177150288 /nfs/dbraw/zinc/15/02/88/1177150288.db2.gz WGTXIAWSCRJSGV-GOEBONIOSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001700882824 1177177043 /nfs/dbraw/zinc/17/70/43/1177177043.db2.gz PBEHDBLQZFYKBT-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001700923141 1177195989 /nfs/dbraw/zinc/19/59/89/1177195989.db2.gz YJLFRHVQLLDJKV-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001707064375 1177935758 /nfs/dbraw/zinc/93/57/58/1177935758.db2.gz XGNQFYBMKIXCOW-INIZCTEOSA-N 2 0 291.439 1.418 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001713003748 1178294569 /nfs/dbraw/zinc/29/45/69/1178294569.db2.gz LHJXHQUMAACANQ-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001713143898 1178392210 /nfs/dbraw/zinc/39/22/10/1178392210.db2.gz GKFGINRLTODCNJ-IYBDPMFKSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001713318260 1178494622 /nfs/dbraw/zinc/49/46/22/1178494622.db2.gz FXLQVFQPDVMTFD-AWEZNQCLSA-N 2 0 297.443 1.015 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001713339181 1178507962 /nfs/dbraw/zinc/50/79/62/1178507962.db2.gz CRINAPIGAGIYEU-HNNXBMFYSA-N 2 0 279.428 1.370 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001713415942 1178548442 /nfs/dbraw/zinc/54/84/42/1178548442.db2.gz LYVGCGIZZRMIKS-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCC)C2CC2)CC1 ZINC001713886996 1178818529 /nfs/dbraw/zinc/81/85/29/1178818529.db2.gz YPJWTSSQOUAKPK-INIZCTEOSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001714153084 1178992648 /nfs/dbraw/zinc/99/26/48/1178992648.db2.gz YKWFXKAWCSVKLQ-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001714333846 1179087839 /nfs/dbraw/zinc/08/78/39/1179087839.db2.gz GEPHGMOBYNMBNU-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001714866307 1179428146 /nfs/dbraw/zinc/42/81/46/1179428146.db2.gz LZLNLKWUNIRUEG-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001714905910 1179446851 /nfs/dbraw/zinc/44/68/51/1179446851.db2.gz BCFBYRDZARICRJ-CABCVRRESA-N 2 0 279.428 1.295 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715328054 1179625480 /nfs/dbraw/zinc/62/54/80/1179625480.db2.gz HXNNXBIHPLIWHS-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715328050 1179626052 /nfs/dbraw/zinc/62/60/52/1179626052.db2.gz HXNNXBIHPLIWHS-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001715376697 1179649039 /nfs/dbraw/zinc/64/90/39/1179649039.db2.gz ODJCHXROSCVROU-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715695911 1179767607 /nfs/dbraw/zinc/76/76/07/1179767607.db2.gz JOAQTHJRRLDKLR-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001715871934 1179887344 /nfs/dbraw/zinc/88/73/44/1179887344.db2.gz KUACGMYASQFPLX-CQSZACIVSA-N 2 0 290.411 1.412 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716139766 1180067967 /nfs/dbraw/zinc/06/79/67/1180067967.db2.gz HJQYWQILFFWDIZ-UKRRQHHQSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716330532 1180156247 /nfs/dbraw/zinc/15/62/47/1180156247.db2.gz WOAPOKPAVMYEIL-AATRIKPKSA-N 2 0 265.401 1.309 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716395196 1180183373 /nfs/dbraw/zinc/18/33/73/1180183373.db2.gz PODKRANLQMXVDM-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCCC[NH+]1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001716668121 1180350973 /nfs/dbraw/zinc/35/09/73/1180350973.db2.gz OAYGPPRWPROOKJ-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001716678183 1180363496 /nfs/dbraw/zinc/36/34/96/1180363496.db2.gz YIUBQIDHCNOGRN-ZIAGYGMSSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001716901771 1180459091 /nfs/dbraw/zinc/45/90/91/1180459091.db2.gz PIPFXWUCPVEXDR-KRWDZBQOSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCC[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001717214988 1180579592 /nfs/dbraw/zinc/57/95/92/1180579592.db2.gz SWRKWYTVNQKBDO-UHFFFAOYSA-N 2 0 267.417 1.439 10 30 CDEERP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001717336058 1180620609 /nfs/dbraw/zinc/62/06/09/1180620609.db2.gz NCRUZCZXQUPFPT-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001717478072 1180695289 /nfs/dbraw/zinc/69/52/89/1180695289.db2.gz KXUALUREBHAOBX-ZDUSSCGKSA-N 2 0 298.390 1.716 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001717642459 1180770551 /nfs/dbraw/zinc/77/05/51/1180770551.db2.gz VIRZBGOUKGOETL-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[N@@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001717703046 1180795931 /nfs/dbraw/zinc/79/59/31/1180795931.db2.gz LRLKMMKDIWMSCL-UHFFFAOYSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001717748786 1180827055 /nfs/dbraw/zinc/82/70/55/1180827055.db2.gz PJCFZSWORMGDCG-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001717871852 1180906832 /nfs/dbraw/zinc/90/68/32/1180906832.db2.gz DFRRDVSJKXRPGS-KGLIPLIRSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001723485407 1181575569 /nfs/dbraw/zinc/57/55/69/1181575569.db2.gz XBLMGVAZKLABES-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001724604919 1181703233 /nfs/dbraw/zinc/70/32/33/1181703233.db2.gz NCFYJNHYCFMBOL-CVEARBPZSA-N 2 0 293.455 1.588 10 30 CDEERP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001725240422 1181933323 /nfs/dbraw/zinc/93/33/23/1181933323.db2.gz LRLFEZCERZPIBT-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001725337309 1181965555 /nfs/dbraw/zinc/96/55/55/1181965555.db2.gz PDIMEBWBWITVGP-XHSDSOJGSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725390841 1181985388 /nfs/dbraw/zinc/98/53/88/1181985388.db2.gz XMQGHOTZAXUQPC-HOCLYGCPSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001725568644 1182053020 /nfs/dbraw/zinc/05/30/20/1182053020.db2.gz RAINZDHDXYYJRF-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001725630475 1182078379 /nfs/dbraw/zinc/07/83/79/1182078379.db2.gz FXHKQMBXRABCDN-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001725637119 1182081022 /nfs/dbraw/zinc/08/10/22/1182081022.db2.gz QVXGDLPOLDHZCU-LSDHHAIUSA-N 2 0 289.423 1.123 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001731324246 1182320282 /nfs/dbraw/zinc/32/02/82/1182320282.db2.gz VVXZHMIXRDJRSU-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001731405465 1182367460 /nfs/dbraw/zinc/36/74/60/1182367460.db2.gz KQONRAUGZCANBT-HOCLYGCPSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001731660672 1182506814 /nfs/dbraw/zinc/50/68/14/1182506814.db2.gz UIYSMIZTDJPNIL-HOCLYGCPSA-N 2 0 291.439 1.342 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001732003032 1182719375 /nfs/dbraw/zinc/71/93/75/1182719375.db2.gz UOPVVLWKSJXQCY-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001732307631 1182901823 /nfs/dbraw/zinc/90/18/23/1182901823.db2.gz IGJAHLGEYDCVDY-KLHDSHLOSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001732399095 1182945568 /nfs/dbraw/zinc/94/55/68/1182945568.db2.gz TZSRXLUOWBIKJV-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001732572170 1183016498 /nfs/dbraw/zinc/01/64/98/1183016498.db2.gz QZPOLVZEIFRPMS-AWEZNQCLSA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001732740447 1183105449 /nfs/dbraw/zinc/10/54/49/1183105449.db2.gz IOCTUTLZFCPJNL-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001732914051 1183182152 /nfs/dbraw/zinc/18/21/52/1183182152.db2.gz OEGXCLOIPQRPMH-ARJAWSKDSA-N 2 0 299.846 1.733 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001733550835 1183463703 /nfs/dbraw/zinc/46/37/03/1183463703.db2.gz FYYXGUMOJUPHMR-GOEBONIOSA-N 2 0 293.455 1.588 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001733938584 1183574767 /nfs/dbraw/zinc/57/47/67/1183574767.db2.gz IVDXJMGNKHSYLA-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001734218041 1183695314 /nfs/dbraw/zinc/69/53/14/1183695314.db2.gz UKLGADNABRCYHU-WKILWMFISA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001734241338 1183702310 /nfs/dbraw/zinc/70/23/10/1183702310.db2.gz ULCASHBHYSOYDP-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001734577836 1183831305 /nfs/dbraw/zinc/83/13/05/1183831305.db2.gz NIPURGRQXYTSMY-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001750930937 1184783289 /nfs/dbraw/zinc/78/32/89/1184783289.db2.gz PHVHFQWSRKLOLJ-HNNXBMFYSA-N 2 0 290.411 1.772 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001637612117 1166773013 /nfs/dbraw/zinc/77/30/13/1166773013.db2.gz IVFYEHSXQQTTLW-QWHCGFSZSA-N 2 0 253.390 1.045 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001566738971 1168405329 /nfs/dbraw/zinc/40/53/29/1168405329.db2.gz RDOVJMMRHYWMIG-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001272566621 913456657 /nfs/dbraw/zinc/45/66/57/913456657.db2.gz ZZJOICJFLXIUFS-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001496560554 895435158 /nfs/dbraw/zinc/43/51/58/895435158.db2.gz FAAUOMXJEAFTMG-JKSUJKDBSA-N 2 0 291.439 1.082 10 30 CDEERP C=CC[NH2+]C1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001266916488 896335127 /nfs/dbraw/zinc/33/51/27/896335127.db2.gz ZLLGZNIRTVMDQM-UHFFFAOYSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001267201062 897130539 /nfs/dbraw/zinc/13/05/39/897130539.db2.gz JSEMTMHFJTZUMB-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001279235450 897320241 /nfs/dbraw/zinc/32/02/41/897320241.db2.gz FFQXNNONACANDG-JXQTWKCFSA-N 2 0 285.407 1.431 10 30 CDEERP C=CCC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267589580 898596155 /nfs/dbraw/zinc/59/61/55/898596155.db2.gz KTZCOUFZHLWSCO-HZPDHXFCSA-N 2 0 293.455 1.685 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001279242358 899513353 /nfs/dbraw/zinc/51/33/53/899513353.db2.gz QSOXEGYJPMDDTP-UHFFFAOYSA-N 2 0 265.401 1.236 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001481256525 899683038 /nfs/dbraw/zinc/68/30/38/899683038.db2.gz KJXWFGGKLXASGB-UHFFFAOYSA-N 2 0 285.351 1.115 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001267815640 899800220 /nfs/dbraw/zinc/80/02/20/899800220.db2.gz QBCOGLDBTAWGEA-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001267961128 900084274 /nfs/dbraw/zinc/08/42/74/900084274.db2.gz WNUNZACHIRYEJX-ZIAGYGMSSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268000782 900237272 /nfs/dbraw/zinc/23/72/72/900237272.db2.gz PFKSTEHQCJDFNH-ILXRZTDVSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001481452203 900713053 /nfs/dbraw/zinc/71/30/53/900713053.db2.gz KMLGHPQMRICVAK-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481490759 900912327 /nfs/dbraw/zinc/91/23/27/900912327.db2.gz JLMQYUZXCIQBFS-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001481495758 900925555 /nfs/dbraw/zinc/92/55/55/900925555.db2.gz DZCMTZBCYBNKEB-HNNXBMFYSA-N 2 0 291.439 1.132 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001268093598 901229297 /nfs/dbraw/zinc/22/92/97/901229297.db2.gz KCWRFJZXGKWUPA-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481812691 902165713 /nfs/dbraw/zinc/16/57/13/902165713.db2.gz RQYIHHUHYVYHES-GJZGRUSLSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001269057693 903377065 /nfs/dbraw/zinc/37/70/65/903377065.db2.gz ZZDFPYAIUPMYSO-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001269413444 903791724 /nfs/dbraw/zinc/79/17/24/903791724.db2.gz VAAUVQCRBGCTNY-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001269432327 903802545 /nfs/dbraw/zinc/80/25/45/903802545.db2.gz CEVIMPJITWHYBE-ZDUSSCGKSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001269714057 904061849 /nfs/dbraw/zinc/06/18/49/904061849.db2.gz LUDNDNCCRPMAKJ-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269790717 904116912 /nfs/dbraw/zinc/11/69/12/904116912.db2.gz KBPIZBSOFHBKIO-HZPDHXFCSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001269963403 904238515 /nfs/dbraw/zinc/23/85/15/904238515.db2.gz ZDEUFDYLOGCAGH-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001270118119 904375200 /nfs/dbraw/zinc/37/52/00/904375200.db2.gz IDZVUCNKLIOTKZ-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482395526 905294881 /nfs/dbraw/zinc/29/48/81/905294881.db2.gz AECBQMIVHRXARI-HNNXBMFYSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001271425635 906332221 /nfs/dbraw/zinc/33/22/21/906332221.db2.gz ISBLZMCTZHKYIY-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001271532136 906502393 /nfs/dbraw/zinc/50/23/93/906502393.db2.gz VAODRTPQOCIABC-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001482603645 907860802 /nfs/dbraw/zinc/86/08/02/907860802.db2.gz MPTZZZYCXKUKEB-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483059989 909197143 /nfs/dbraw/zinc/19/71/43/909197143.db2.gz AWCORJRRGWNMEY-GXMNPTEKSA-N 2 0 265.401 1.166 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001483782413 915079342 /nfs/dbraw/zinc/07/93/42/915079342.db2.gz BXBKIJJYRAMXPY-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484358135 915670826 /nfs/dbraw/zinc/67/08/26/915670826.db2.gz UOZRDRVRQCUZIN-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001484526084 915853822 /nfs/dbraw/zinc/85/38/22/915853822.db2.gz WEAZUWJCTHKCLD-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001485073749 916471868 /nfs/dbraw/zinc/47/18/68/916471868.db2.gz OSJKDDFHMBDDQR-INIZCTEOSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001485433106 916966275 /nfs/dbraw/zinc/96/62/75/916966275.db2.gz KHKQMQWMRZHDGQ-OAGGEKHMSA-N 2 0 293.455 1.423 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001485685667 917180488 /nfs/dbraw/zinc/18/04/88/917180488.db2.gz ZQJDMTJKGQCZJT-KLHDSHLOSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCC[NH+](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001485766197 917268328 /nfs/dbraw/zinc/26/83/28/917268328.db2.gz BXPFADNRZDCNFF-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568273417 1169216230 /nfs/dbraw/zinc/21/62/30/1169216230.db2.gz LAILGTIGCLOHLL-BFHYXJOUSA-N 2 0 267.417 1.339 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001486133327 920737391 /nfs/dbraw/zinc/73/73/91/920737391.db2.gz AVVXANWOYVYNMA-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[N@H+](C)CC1CCN(C(=O)Cn2ccnc2)CC1 ZINC001494214459 923334080 /nfs/dbraw/zinc/33/40/80/923334080.db2.gz JMHLDQXVWQMIHQ-UHFFFAOYSA-N 2 0 288.395 1.077 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001649448964 1169258730 /nfs/dbraw/zinc/25/87/30/1169258730.db2.gz HHLRYTMQDYJQTL-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP C#CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001491235127 936881245 /nfs/dbraw/zinc/88/12/45/936881245.db2.gz BGLRTWMEXGEUFS-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001568430977 1169285105 /nfs/dbraw/zinc/28/51/05/1169285105.db2.gz CKWKJOYYHYZRPP-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[N@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001490216358 927033650 /nfs/dbraw/zinc/03/36/50/927033650.db2.gz ONDAVHBHVLDEEN-UHFFFAOYSA-N 2 0 284.363 1.328 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319281966 931168571 /nfs/dbraw/zinc/16/85/71/931168571.db2.gz MCOUOKUMBBAGGB-UONOGXRCSA-N 2 0 267.417 1.246 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001274331622 931491219 /nfs/dbraw/zinc/49/12/19/931491219.db2.gz LUQUNPHKJJHWGU-ARJAWSKDSA-N 2 0 285.819 1.343 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001274392815 931496810 /nfs/dbraw/zinc/49/68/10/931496810.db2.gz AHIUAQURPMGPHZ-HNNXBMFYSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001274887790 931599156 /nfs/dbraw/zinc/59/91/56/931599156.db2.gz AHLGZVSFVOJBLZ-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001274986390 931625019 /nfs/dbraw/zinc/62/50/19/931625019.db2.gz QAPACZFIPUHMEC-ZIAGYGMSSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001275927933 932145825 /nfs/dbraw/zinc/14/58/25/932145825.db2.gz BLIKILBJIJPBCD-AWEZNQCLSA-N 2 0 283.460 1.977 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CCC=C)CC1 ZINC001568713736 1169442375 /nfs/dbraw/zinc/44/23/75/1169442375.db2.gz JAICOPSGOFKKFS-HNNXBMFYSA-N 2 0 291.439 1.392 10 30 CDEERP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001276587231 940389205 /nfs/dbraw/zinc/38/92/05/940389205.db2.gz YZPMLNXSGFVKIQ-HNNXBMFYSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC=C)C1CC1 ZINC001276602550 940410229 /nfs/dbraw/zinc/41/02/29/940410229.db2.gz AMONQYCBNHXELZ-CVEARBPZSA-N 2 0 289.423 1.145 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001568753572 1169463294 /nfs/dbraw/zinc/46/32/94/1169463294.db2.gz GXEDWCGPURXQKQ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001277329611 942377541 /nfs/dbraw/zinc/37/75/41/942377541.db2.gz UQGIZRDXIQPAOM-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001280533531 942458970 /nfs/dbraw/zinc/45/89/70/942458970.db2.gz ARMQHEIKCAEDHF-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001280777643 942484642 /nfs/dbraw/zinc/48/46/42/942484642.db2.gz UJCYYSJPIHINRH-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001281721886 942613442 /nfs/dbraw/zinc/61/34/42/942613442.db2.gz ILUYKFXGEOBYFQ-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001277473808 942741766 /nfs/dbraw/zinc/74/17/66/942741766.db2.gz JPUSQUCEMCFQFZ-KRWDZBQOSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001284771184 943257537 /nfs/dbraw/zinc/25/75/37/943257537.db2.gz MIQIBEQPUFVSKW-YMAMQOFZSA-N 2 0 299.434 1.821 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001265978903 944610940 /nfs/dbraw/zinc/61/09/40/944610940.db2.gz BDPCXWOCRMMSGB-HRCADAONSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001266053992 944657257 /nfs/dbraw/zinc/65/72/57/944657257.db2.gz DSJXMYBZYIWNRJ-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001279026904 948614829 /nfs/dbraw/zinc/61/48/29/948614829.db2.gz YLWRDVJALQLJSI-ZFWWWQNUSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001480143744 971600188 /nfs/dbraw/zinc/60/01/88/971600188.db2.gz KBPDJUGEYRVLOE-KKUMJFAQSA-N 2 0 277.412 1.121 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001480158274 971606674 /nfs/dbraw/zinc/60/66/74/971606674.db2.gz WZHPPQIXQZRPSK-QKPAOTATSA-N 2 0 293.455 1.920 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001325525326 953946040 /nfs/dbraw/zinc/94/60/40/953946040.db2.gz IKTJZPLQKNZQRE-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001325915989 954138982 /nfs/dbraw/zinc/13/89/82/954138982.db2.gz HFLZMYBYLRQKQB-GJZGRUSLSA-N 2 0 279.428 1.578 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001493255070 971994967 /nfs/dbraw/zinc/99/49/67/971994967.db2.gz NWKZLVHKTZPTCG-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001327224776 954782051 /nfs/dbraw/zinc/78/20/51/954782051.db2.gz GKFOVQYCPUWCGD-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCC[NH+](C)C ZINC001328693735 955419582 /nfs/dbraw/zinc/41/95/82/955419582.db2.gz MMBXWWHFSGKPHE-SJLPKXTDSA-N 2 0 299.418 1.333 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001491829711 955457841 /nfs/dbraw/zinc/45/78/41/955457841.db2.gz QBISVOMYJOVAFO-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001491886821 955493019 /nfs/dbraw/zinc/49/30/19/955493019.db2.gz QFQKJMKMSZTKRP-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001328861799 955519415 /nfs/dbraw/zinc/51/94/15/955519415.db2.gz WNZDNMWGYXSRLT-GPANFISMSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001492128657 955641155 /nfs/dbraw/zinc/64/11/55/955641155.db2.gz AEJZBEWXZHKQBQ-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001493803298 972115315 /nfs/dbraw/zinc/11/53/15/972115315.db2.gz LDICMHGFOQWPJL-OKILXGFUSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001493884805 972133632 /nfs/dbraw/zinc/13/36/32/972133632.db2.gz CBMLJYYKODMTIT-HZPDHXFCSA-N 2 0 287.407 1.714 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001493884803 972133925 /nfs/dbraw/zinc/13/39/25/972133925.db2.gz CBMLJYYKODMTIT-HOTGVXAUSA-N 2 0 287.407 1.714 10 30 CDEERP C=C(C)CC[NH+](C)CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001316850217 956284775 /nfs/dbraw/zinc/28/47/75/956284775.db2.gz AYHPBNWZDKXMAJ-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(Cl)C[N@H+](CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001316907825 957115816 /nfs/dbraw/zinc/11/58/16/957115816.db2.gz SUMOSBGZZIPJGK-UHFFFAOYSA-N 2 0 299.846 1.663 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001316987766 957182648 /nfs/dbraw/zinc/18/26/48/957182648.db2.gz NKLYSBISVWUNEW-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001317023810 957209319 /nfs/dbraw/zinc/20/93/19/957209319.db2.gz FQTIVEMKZWTXQL-HOTGVXAUSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317079003 957253218 /nfs/dbraw/zinc/25/32/18/957253218.db2.gz URVWWYLURBIDTD-JYJNAYRXSA-N 2 0 291.439 1.531 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001331930326 957343781 /nfs/dbraw/zinc/34/37/81/957343781.db2.gz WHNPDTBCOXYTED-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317320948 957422951 /nfs/dbraw/zinc/42/29/51/957422951.db2.gz CSWZGDQKRGQLID-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001318412205 958094090 /nfs/dbraw/zinc/09/40/90/958094090.db2.gz HIGUBFJHPJXJKY-LSDHHAIUSA-N 2 0 281.444 1.826 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001319512979 958604101 /nfs/dbraw/zinc/60/41/01/958604101.db2.gz XZEJNLMWWHVYTR-CQSZACIVSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001320008765 958860257 /nfs/dbraw/zinc/86/02/57/958860257.db2.gz LOQRQDOIWVHLMA-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001321304172 959707711 /nfs/dbraw/zinc/70/77/11/959707711.db2.gz MUIWZZWZFOTQPB-WAYWQWQTSA-N 2 0 277.412 1.004 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001321340038 959730384 /nfs/dbraw/zinc/73/03/84/959730384.db2.gz WZHWUTFDWVRFJT-GEXIGZQTSA-N 2 0 265.401 1.166 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001321418246 959774667 /nfs/dbraw/zinc/77/46/67/959774667.db2.gz YDDBBJAMQHEWID-SRLDXXQCSA-N 2 0 277.412 1.145 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001322258817 960156544 /nfs/dbraw/zinc/15/65/44/960156544.db2.gz RGPWONFAOGOUSH-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C[N@H+](C)C(C)C ZINC001444026086 965713815 /nfs/dbraw/zinc/71/38/15/965713815.db2.gz CMDAURANSFJLFK-LBPRGKRZSA-N 2 0 275.824 1.564 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480120955 967117310 /nfs/dbraw/zinc/11/73/10/967117310.db2.gz YFHIEEAFGKJJID-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001544454096 967361417 /nfs/dbraw/zinc/36/14/17/967361417.db2.gz ASPVZKIBDMAKBA-KGLIPLIRSA-N 2 0 267.417 1.435 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001496239595 972852209 /nfs/dbraw/zinc/85/22/09/972852209.db2.gz UBVLDTGZKXUMHG-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001496299364 972879329 /nfs/dbraw/zinc/87/93/29/972879329.db2.gz IFAMNADUNWFRDO-HNNXBMFYSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001496496752 972939926 /nfs/dbraw/zinc/93/99/26/972939926.db2.gz YCJRBTKAUCQGMJ-INIZCTEOSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001500293655 974415900 /nfs/dbraw/zinc/41/59/00/974415900.db2.gz YFCCXINWEMXMCO-OAHLLOKOSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001501638154 974615412 /nfs/dbraw/zinc/61/54/12/974615412.db2.gz SVEWUFLCZREMGF-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001376337992 974634164 /nfs/dbraw/zinc/63/41/64/974634164.db2.gz CSFNXDXNHIZXTF-ZIAGYGMSSA-N 2 0 299.846 1.661 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001502513630 974746218 /nfs/dbraw/zinc/74/62/18/974746218.db2.gz SWJFVAZWZAYRDT-CQSZACIVSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001502513446 974746593 /nfs/dbraw/zinc/74/65/93/974746593.db2.gz MPQMPGYKWOCVFS-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502968105 974805189 /nfs/dbraw/zinc/80/51/89/974805189.db2.gz KXOBEIGRPNUEPJ-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001505518615 974899055 /nfs/dbraw/zinc/89/90/55/974899055.db2.gz PSFZAIDYVMRRBD-UHFFFAOYSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001507291102 975384917 /nfs/dbraw/zinc/38/49/17/975384917.db2.gz SIDAKKSETAQOQZ-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001507408658 975458385 /nfs/dbraw/zinc/45/83/85/975458385.db2.gz DYIOGAQJLLZNGM-GOEBONIOSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001380293382 976333276 /nfs/dbraw/zinc/33/32/76/976333276.db2.gz XUUOBHNBCBRJMP-ZDUSSCGKSA-N 2 0 285.819 1.415 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001407535347 976690500 /nfs/dbraw/zinc/69/05/00/976690500.db2.gz MBFBOBUBDXTFNV-GXTWGEPZSA-N 2 0 299.846 1.519 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001382118873 977175066 /nfs/dbraw/zinc/17/50/66/977175066.db2.gz JEZBLONBRSEWGE-WCQYABFASA-N 2 0 287.835 1.517 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)Cc2cncn2C)CC1 ZINC001676079081 1174180203 /nfs/dbraw/zinc/18/02/03/1174180203.db2.gz IWQIPCPXONVTAP-UHFFFAOYSA-N 2 0 290.411 1.462 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001570216107 1170113677 /nfs/dbraw/zinc/11/36/77/1170113677.db2.gz USAZBLHTGBUERN-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)CC)CC1 ZINC001570218640 1170114756 /nfs/dbraw/zinc/11/47/56/1170114756.db2.gz YLDIPYBQYPVAFS-UHFFFAOYSA-N 2 0 279.428 1.132 10 30 CDEERP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001570740079 1170264777 /nfs/dbraw/zinc/26/47/77/1170264777.db2.gz LDOZWOACSZZRBM-HZPDHXFCSA-N 2 0 293.455 1.709 10 30 CDEERP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001571063417 1170331691 /nfs/dbraw/zinc/33/16/91/1170331691.db2.gz ASTCJKNQHFLOHY-CALCHBBNSA-N 2 0 291.439 1.132 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001571401676 1170413725 /nfs/dbraw/zinc/41/37/25/1170413725.db2.gz IOVCYWJSCAGCFN-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCN(C)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001571614079 1170496727 /nfs/dbraw/zinc/49/67/27/1170496727.db2.gz UXNBVANTVIFRHO-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP C#CCC[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001571645078 1170508084 /nfs/dbraw/zinc/50/80/84/1170508084.db2.gz PQUHRORQVTXUFL-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438040 342906041 /nfs/dbraw/zinc/90/60/41/342906041.db2.gz MIUAZXVGXQONOM-GJZGRUSLSA-N 2 0 294.443 1.778 10 30 CDEERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440059 342907125 /nfs/dbraw/zinc/90/71/25/342907125.db2.gz YWXMLKQMEHWNOG-GJZGRUSLSA-N 2 0 294.443 1.730 10 30 CDEERP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])CCCCC#N)CCCC1 ZINC000594445469 342908729 /nfs/dbraw/zinc/90/87/29/342908729.db2.gz GHWKHEJVCPUHOZ-ZDUSSCGKSA-N 2 0 280.416 1.388 10 30 CDEERP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CCC[NH3+] ZINC000595258978 343013717 /nfs/dbraw/zinc/01/37/17/343013717.db2.gz YFNGEAZPWFTCJQ-QLFBSQMISA-N 2 0 294.443 1.764 10 30 CDEERP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000600708470 349876020 /nfs/dbraw/zinc/87/60/20/349876020.db2.gz CWTMUXDZXXRIPF-MRXNPFEDSA-N 2 0 273.380 1.761 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001660476560 1172219168 /nfs/dbraw/zinc/21/91/68/1172219168.db2.gz WBPHUFCRDJTBGH-CVEARBPZSA-N 2 0 293.455 1.709 10 30 CDEERP CN1CC[NH+](CCCC[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000581853431 364047679 /nfs/dbraw/zinc/04/76/79/364047679.db2.gz CTLWGEGQWJTQKS-UHFFFAOYSA-N 2 0 293.440 1.132 10 30 CDEERP C=C(C[NH2+]C)C[NH2+]CCCCCCC[NH2+]CC(=C)C[NH2+]C ZINC000026491217 364807955 /nfs/dbraw/zinc/80/79/55/364807955.db2.gz MPSFJEICZIZJEL-UHFFFAOYSA-N 4 0 296.503 1.667 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626970284 367107765 /nfs/dbraw/zinc/10/77/65/367107765.db2.gz JKMHFTAHJNLMQO-GXTWGEPZSA-N 2 0 280.416 1.077 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001661678423 1172426218 /nfs/dbraw/zinc/42/62/18/1172426218.db2.gz LVEGCODSGRHCFS-BETUJISGSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001661809346 1172449084 /nfs/dbraw/zinc/44/90/84/1172449084.db2.gz VMCDCMWUUQSYEU-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1C#N ZINC000414945247 374221723 /nfs/dbraw/zinc/22/17/23/374221723.db2.gz RIANNNJXCMDOBT-SMDDNHRTSA-N 2 0 259.353 1.654 10 30 CDEERP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000161505737 375651153 /nfs/dbraw/zinc/65/11/53/375651153.db2.gz DDBMWWNWCPSALE-RDBSUJKOSA-N 2 0 282.432 1.190 10 30 CDEERP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001662872517 1172605715 /nfs/dbraw/zinc/60/57/15/1172605715.db2.gz NYVARLGLSRBONS-LSDHHAIUSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CCC[NH2+]1 ZINC000662412438 412979798 /nfs/dbraw/zinc/97/97/98/412979798.db2.gz FMSXOJXSZIHIQE-ZBFHGGJFSA-N 2 0 273.380 1.501 10 30 CDEERP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423184649 397602308 /nfs/dbraw/zinc/60/23/08/397602308.db2.gz MMBMRLUPFOSITN-CYBMUJFWSA-N 2 0 290.386 1.643 10 30 CDEERP C=CC[C@]1(C(=O)NCC[N@@H+](CC)C2CC2)CCC[NH2+]1 ZINC000662713843 413368889 /nfs/dbraw/zinc/36/88/89/413368889.db2.gz ZLJRVZCNHZWWTJ-OAHLLOKOSA-N 2 0 265.401 1.285 10 30 CDEERP C=CC[C@@]1(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCC[NH2+]1 ZINC000662723446 413387315 /nfs/dbraw/zinc/38/73/15/413387315.db2.gz YEGFAXOVBHRAND-INIZCTEOSA-N 2 0 297.362 1.904 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CCC[NH2+]1 ZINC000662783902 413492622 /nfs/dbraw/zinc/49/26/22/413492622.db2.gz PGBROXXJXWXDHU-MWLCHTKSSA-N 2 0 279.306 1.081 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662845553 413598303 /nfs/dbraw/zinc/59/83/03/413598303.db2.gz JKNFAPMMFPPJOU-WMLDXEAASA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[C@]1(C(=O)NCC[C@@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000662860661 413621547 /nfs/dbraw/zinc/62/15/47/413621547.db2.gz SWKLGJCAXABVLM-TZMCWYRMSA-N 2 0 253.390 1.141 10 30 CDEERP COCC1CC[NH+](Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000070081664 175871987 /nfs/dbraw/zinc/87/19/87/175871987.db2.gz VBKJJRIYQSGIAS-UHFFFAOYSA-N 2 0 278.421 1.917 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)CC[NH+]1CCCCC1 ZINC001665887440 1173079663 /nfs/dbraw/zinc/07/96/63/1173079663.db2.gz AFRSWGSPAGDIET-OAHLLOKOSA-N 2 0 281.444 1.923 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001665996925 1173100248 /nfs/dbraw/zinc/10/02/48/1173100248.db2.gz ZPHCSSJTERREFQ-RDJZCZTQSA-N 2 0 293.455 1.920 10 30 CDEERP C[C@@H]1CCC[C@](CNC(=[NH2+])NC2CC2)([NH+](C)C)C1 ZINC000120486444 263283148 /nfs/dbraw/zinc/28/31/48/263283148.db2.gz WZEMKBQIVAWERO-RISCZKNCSA-N 2 0 252.406 1.564 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H](C)C[N@@H+](C)CCCC)CCC[NH2+]1 ZINC000662791305 424478846 /nfs/dbraw/zinc/47/88/46/424478846.db2.gz JIYTYJSXBXMQBP-GOEBONIOSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668164005 1173375313 /nfs/dbraw/zinc/37/53/13/1173375313.db2.gz ZTQOIHQJPCDIAK-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001672306212 1173764799 /nfs/dbraw/zinc/76/47/99/1173764799.db2.gz UPMJBYQQTPWATO-GOEBONIOSA-N 2 0 291.439 1.036 10 30 CDEERP CC[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)N[C@@H]1C[C@H]1C ZINC000262825759 330034547 /nfs/dbraw/zinc/03/45/47/330034547.db2.gz QLBIVSQDQJJRHX-BFHYXJOUSA-N 2 0 266.433 1.682 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001267251031 1159210887 /nfs/dbraw/zinc/21/08/87/1159210887.db2.gz SBBBUQPGUQRIAW-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000247444515 334281490 /nfs/dbraw/zinc/28/14/90/334281490.db2.gz SGNRBOMHJDHAGO-GOEBONIOSA-N 2 0 291.439 1.177 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001267439581 1159377474 /nfs/dbraw/zinc/37/74/74/1159377474.db2.gz NQGMKLUIZIOJIZ-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271206504 1160312687 /nfs/dbraw/zinc/31/26/87/1160312687.db2.gz GKJBDIHDAIJSSV-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001482664187 1160585779 /nfs/dbraw/zinc/58/57/79/1160585779.db2.gz SRKBTJJFLGRCDL-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001691629578 1160772905 /nfs/dbraw/zinc/77/29/05/1160772905.db2.gz QZPJBVHUDQYXDI-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001483272104 1160889081 /nfs/dbraw/zinc/88/90/81/1160889081.db2.gz KDPOERVNBZKWKN-LSDHHAIUSA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001716006778 1179978266 /nfs/dbraw/zinc/97/82/66/1179978266.db2.gz AYRWHEYMHXTRMN-HNNXBMFYSA-N 2 0 281.444 1.923 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940618163 613328333 /nfs/dbraw/zinc/32/83/33/613328333.db2.gz PHUBXVZYZROFDG-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939547834 613386918 /nfs/dbraw/zinc/38/69/18/613386918.db2.gz ZXBOPYOPONUMHB-YPMHNXCESA-N 2 0 297.830 1.271 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941031512 613742920 /nfs/dbraw/zinc/74/29/20/613742920.db2.gz AFBZPIWXCVVVMP-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000900198810 622813758 /nfs/dbraw/zinc/81/37/58/622813758.db2.gz JUDHARIZVDOJFY-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000900631650 623317398 /nfs/dbraw/zinc/31/73/98/623317398.db2.gz BNMRJYMYTXEUSX-UHFFFAOYSA-N 2 0 253.390 1.049 10 30 CDEERP N#CC1CCC(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000903422908 625994051 /nfs/dbraw/zinc/99/40/51/625994051.db2.gz MPTGGTZXIKRLPS-YMAMQOFZSA-N 2 0 292.427 1.103 10 30 CDEERP N#Cc1ccc(N2CC[NH+](C[C@H]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000903475924 626004813 /nfs/dbraw/zinc/00/48/13/626004813.db2.gz HYOHNOIQCVHQKB-JKSUJKDBSA-N 2 0 284.407 1.808 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000908357759 628175416 /nfs/dbraw/zinc/17/54/16/628175416.db2.gz JBHGSCHZQUINHL-AWEZNQCLSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CCC)C1CC[NH2+]CC1 ZINC000876707143 630560145 /nfs/dbraw/zinc/56/01/45/630560145.db2.gz UQBMFQLZYAKSOR-LBPRGKRZSA-N 2 0 273.808 1.447 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001690977946 1158511567 /nfs/dbraw/zinc/51/15/67/1158511567.db2.gz MQQBQFFJEWWRFT-INIZCTEOSA-N 2 0 299.434 1.823 10 30 CDEERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852855810 677861493 /nfs/dbraw/zinc/86/14/93/677861493.db2.gz ORIMSGZDYSMDKE-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000876507877 678281423 /nfs/dbraw/zinc/28/14/23/678281423.db2.gz POGLYRWVUAEKPW-CYBMUJFWSA-N 2 0 296.802 1.147 10 30 CDEERP C[NH+](C)[C@H](CNC(=[NH2+])NCCc1cccs1)C1CC1 ZINC000303905229 678728444 /nfs/dbraw/zinc/72/84/44/678728444.db2.gz ZGLMINNBTOUUFJ-CYBMUJFWSA-N 2 0 280.441 1.535 10 30 CDEERP C#CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000829775234 679092367 /nfs/dbraw/zinc/09/23/67/679092367.db2.gz ZQBAOSFMBROWCY-LSDHHAIUSA-N 2 0 250.386 1.178 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000876711498 679375007 /nfs/dbraw/zinc/37/50/07/679375007.db2.gz ZDLKCHWQZFACKA-NSHDSACASA-N 2 0 273.808 1.447 10 30 CDEERP C[NH+](C)CCN(C(=O)C#CC1CC[NH2+]CC1)C1CCCC1 ZINC000852882274 679653272 /nfs/dbraw/zinc/65/32/72/679653272.db2.gz BIWRQEWZQNSHRG-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001691990122 1158676360 /nfs/dbraw/zinc/67/63/60/1158676360.db2.gz VMPABQIBRVYLFU-OAHLLOKOSA-N 2 0 279.428 1.132 10 30 CDEERP C#CCC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001691219506 1158962954 /nfs/dbraw/zinc/96/29/54/1158962954.db2.gz HPRKZHVEYQLSIX-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691409398 1159057085 /nfs/dbraw/zinc/05/70/85/1159057085.db2.gz DGPQBWNXJSCQKO-KBPBESRZSA-N 2 0 265.401 1.047 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001700325738 1158965025 /nfs/dbraw/zinc/96/50/25/1158965025.db2.gz VDFRZRSWQMBZGU-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001691789902 1159419787 /nfs/dbraw/zinc/41/97/87/1159419787.db2.gz IELYVBHDMZRLQA-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001482889476 1160641190 /nfs/dbraw/zinc/64/11/90/1160641190.db2.gz QVAGEVUUTXQZAM-KGLIPLIRSA-N 2 0 267.417 1.080 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001618195582 1165623418 /nfs/dbraw/zinc/62/34/18/1165623418.db2.gz PWEAHKIGDVXFLT-AWEZNQCLSA-N 2 0 291.395 1.651 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC001633922838 1166459431 /nfs/dbraw/zinc/45/94/31/1166459431.db2.gz BQGIOFPJBBJLGP-LBPRGKRZSA-N 2 0 255.406 1.197 10 30 CDEERP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001566027164 1168216463 /nfs/dbraw/zinc/21/64/63/1168216463.db2.gz XIWUDMOQDFDPMB-ARFHVFGLSA-N 2 0 293.455 1.565 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001569268278 1169741985 /nfs/dbraw/zinc/74/19/85/1169741985.db2.gz YJSOJCBVNXPHLM-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001569405183 1169859220 /nfs/dbraw/zinc/85/92/20/1169859220.db2.gz KQEHNFVJRYSJEY-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001569854708 1170019446 /nfs/dbraw/zinc/01/94/46/1170019446.db2.gz FCKXJIAMKPYMMY-CABCVRRESA-N 2 0 279.428 1.034 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001571494123 1170453562 /nfs/dbraw/zinc/45/35/62/1170453562.db2.gz ZVBAWAYBQPYIJL-OLZOCXBDSA-N 2 0 253.390 1.092 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001662899203 1172612246 /nfs/dbraw/zinc/61/22/46/1172612246.db2.gz SGBHJXCSFVASHQ-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001663461940 1172699060 /nfs/dbraw/zinc/69/90/60/1172699060.db2.gz TZMLDDOFSURCIF-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001667459891 1173270643 /nfs/dbraw/zinc/27/06/43/1173270643.db2.gz WSUKQBBYRSTRNS-HOTGVXAUSA-N 2 0 293.455 1.635 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001673129091 1173827378 /nfs/dbraw/zinc/82/73/78/1173827378.db2.gz FOEWNSDCYJAIPS-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001690609838 1175521131 /nfs/dbraw/zinc/52/11/31/1175521131.db2.gz AZAKYHUGVJBXLU-LBPRGKRZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001691854417 1175637574 /nfs/dbraw/zinc/63/75/74/1175637574.db2.gz FRWXBOUZLSBJDQ-CABCVRRESA-N 2 0 291.439 1.485 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001692189116 1175696277 /nfs/dbraw/zinc/69/62/77/1175696277.db2.gz QIEKDRIPIBBGQE-ZNMIVQPWSA-N 2 0 279.428 1.175 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1CC ZINC001692218060 1175704514 /nfs/dbraw/zinc/70/45/14/1175704514.db2.gz VJQYEHFZCAUYJO-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001698890483 1175978957 /nfs/dbraw/zinc/97/89/57/1175978957.db2.gz FTBAJEIIXVQZCR-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001699664218 1176558563 /nfs/dbraw/zinc/55/85/63/1176558563.db2.gz ASESCKGZRWNJBR-CQSZACIVSA-N 2 0 277.412 1.121 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001699770243 1176615183 /nfs/dbraw/zinc/61/51/83/1176615183.db2.gz GLGWVQUYSOECAE-AWEZNQCLSA-N 2 0 299.434 1.823 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001700184919 1176789201 /nfs/dbraw/zinc/78/92/01/1176789201.db2.gz QDMXGUGHLHLSRL-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001700486178 1176976144 /nfs/dbraw/zinc/97/61/44/1176976144.db2.gz CQDREKVSJUTQPL-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001700545410 1177007419 /nfs/dbraw/zinc/00/74/19/1177007419.db2.gz KRZKSVMDZGWZLO-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+][C@H](CCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001700714369 1177088325 /nfs/dbraw/zinc/08/83/25/1177088325.db2.gz AXAUUXYUQOLXTA-OAHLLOKOSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001700821323 1177148766 /nfs/dbraw/zinc/14/87/66/1177148766.db2.gz JUQTZWQCJDHKEA-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001700821326 1177149168 /nfs/dbraw/zinc/14/91/68/1177149168.db2.gz JUQTZWQCJDHKEA-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001700976282 1177220764 /nfs/dbraw/zinc/22/07/64/1177220764.db2.gz NIELHIRYOJCARJ-OAHLLOKOSA-N 2 0 281.444 1.683 10 30 CDEERP C#CC[N@@H+](C)CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001707409018 1178027025 /nfs/dbraw/zinc/02/70/25/1178027025.db2.gz GXUNUYYVWIGQRF-UHFFFAOYSA-N 2 0 287.407 1.433 10 30 CDEERP C=C(C)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001712950527 1178261664 /nfs/dbraw/zinc/26/16/64/1178261664.db2.gz MACVLLMXZRSYQJ-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713134730 1178388338 /nfs/dbraw/zinc/38/83/38/1178388338.db2.gz SWSMLCOCSGRRFN-HNNXBMFYSA-N 2 0 279.428 1.132 10 30 CDEERP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001713144992 1178391832 /nfs/dbraw/zinc/39/18/32/1178391832.db2.gz JNRSANWYPZZLDW-IYBDPMFKSA-N 2 0 293.455 1.968 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001713220919 1178439500 /nfs/dbraw/zinc/43/95/00/1178439500.db2.gz VZELUMJLQWIHGO-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001713453902 1178572508 /nfs/dbraw/zinc/57/25/08/1178572508.db2.gz UCLKUGBXRVIXFL-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001713518012 1178620928 /nfs/dbraw/zinc/62/09/28/1178620928.db2.gz TYPMSFSEJWIEKP-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001713564798 1178651029 /nfs/dbraw/zinc/65/10/29/1178651029.db2.gz LJEPLEQXZQHLAP-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713924606 1178851110 /nfs/dbraw/zinc/85/11/10/1178851110.db2.gz KWDGAZKDKCDUGL-ZFWWWQNUSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001714050067 1178947266 /nfs/dbraw/zinc/94/72/66/1178947266.db2.gz MISBRXBFFLVPDC-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714107961 1178976415 /nfs/dbraw/zinc/97/64/15/1178976415.db2.gz WJEOVOZUYGHLJC-GJZGRUSLSA-N 2 0 279.428 1.367 10 30 CDEERP C#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001714155948 1178994898 /nfs/dbraw/zinc/99/48/98/1178994898.db2.gz LLVKPSCCZIRDNM-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001714197566 1179010568 /nfs/dbraw/zinc/01/05/68/1179010568.db2.gz KAOMLHVWAGGCNI-UHFFFAOYSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001714491264 1179168808 /nfs/dbraw/zinc/16/88/08/1179168808.db2.gz XUHHKNCVONGSKU-HZPDHXFCSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714610943 1179266262 /nfs/dbraw/zinc/26/62/62/1179266262.db2.gz VBQZEWMZVHBNRV-ZFWWWQNUSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001714798258 1179402191 /nfs/dbraw/zinc/40/21/91/1179402191.db2.gz HXYJRCGWCUNCEX-CQSZACIVSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001714832843 1179415649 /nfs/dbraw/zinc/41/56/49/1179415649.db2.gz NCGJZPJQEZSMCZ-IYBDPMFKSA-N 2 0 293.455 1.709 10 30 CDEERP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001714884172 1179437503 /nfs/dbraw/zinc/43/75/03/1179437503.db2.gz QFFMAXOHXSCEQI-RDJZCZTQSA-N 2 0 291.439 1.487 10 30 CDEERP C=C(C)CN1CC(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001714955612 1179475858 /nfs/dbraw/zinc/47/58/58/1179475858.db2.gz JRLGSVSQQUOHDC-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001715122762 1179558909 /nfs/dbraw/zinc/55/89/09/1179558909.db2.gz FFKDBWLGTJEUSO-OAHLLOKOSA-N 2 0 265.401 1.143 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001715365918 1179645127 /nfs/dbraw/zinc/64/51/27/1179645127.db2.gz FZDVELCCFXVZPL-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001715414105 1179661772 /nfs/dbraw/zinc/66/17/72/1179661772.db2.gz CKIFXEWLRHPUAV-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001716075662 1180033159 /nfs/dbraw/zinc/03/31/59/1180033159.db2.gz PHPWOEYBOWNGHO-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001716251190 1180120450 /nfs/dbraw/zinc/12/04/50/1180120450.db2.gz OJVKWPMSPUXYBE-INIZCTEOSA-N 2 0 279.428 1.487 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001716790480 1180415642 /nfs/dbraw/zinc/41/56/42/1180415642.db2.gz DGFDJKOWLOQOIM-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001717214788 1180580148 /nfs/dbraw/zinc/58/01/48/1180580148.db2.gz KYSQVAPRDAYVGE-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001717293656 1180608091 /nfs/dbraw/zinc/60/80/91/1180608091.db2.gz PTGRIIALAMRCDS-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001717651188 1180774798 /nfs/dbraw/zinc/77/47/98/1180774798.db2.gz TXEYPXDXVYKXEW-MGPQQGTHSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2ccnc2)C1 ZINC001717888180 1180914495 /nfs/dbraw/zinc/91/44/95/1180914495.db2.gz ZKXLAEBHVBUQMV-GJZGRUSLSA-N 2 0 290.411 1.724 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001717991212 1180960499 /nfs/dbraw/zinc/96/04/99/1180960499.db2.gz BXWMXQZGFJVDCH-SSHXOBKSSA-N 2 0 293.455 1.872 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001723523620 1181582299 /nfs/dbraw/zinc/58/22/99/1181582299.db2.gz LDTGVTAHBCJJDF-VXGBXAGGSA-N 2 0 274.368 1.328 10 30 CDEERP C=CCC[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001724023448 1181629495 /nfs/dbraw/zinc/62/94/95/1181629495.db2.gz PXIQSFXQTDJMFT-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001724293933 1181660735 /nfs/dbraw/zinc/66/07/35/1181660735.db2.gz HSSQCDOCMMSNGB-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001724849867 1181774578 /nfs/dbraw/zinc/77/45/78/1181774578.db2.gz ASZQZTSPXQTOAO-MRXNPFEDSA-N 2 0 293.455 1.663 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001725046722 1181833577 /nfs/dbraw/zinc/83/35/77/1181833577.db2.gz JOPRLJUOGKQHIM-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001725124662 1181873489 /nfs/dbraw/zinc/87/34/89/1181873489.db2.gz YLRUKOZRWVJINW-ZIAGYGMSSA-N 2 0 297.443 1.156 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725184720 1181912105 /nfs/dbraw/zinc/91/21/05/1181912105.db2.gz AATSBPXSOVGGCW-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001725520604 1182034980 /nfs/dbraw/zinc/03/49/80/1182034980.db2.gz DQHKZRWEWSROLZ-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001731410747 1182369841 /nfs/dbraw/zinc/36/98/41/1182369841.db2.gz JGJHMZMITOUWDV-OAHLLOKOSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001731720205 1182531967 /nfs/dbraw/zinc/53/19/67/1182531967.db2.gz MKBNJYTXIYNXBP-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001731815835 1182604691 /nfs/dbraw/zinc/60/46/91/1182604691.db2.gz DVQUEKZYDWPFJU-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCCC[NH+]1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001732102801 1182771160 /nfs/dbraw/zinc/77/11/60/1182771160.db2.gz CVAQFRJUMXHIOE-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001733077695 1183278645 /nfs/dbraw/zinc/27/86/45/1183278645.db2.gz LDJRTUBQIFWSCQ-GJZGRUSLSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001733146268 1183306822 /nfs/dbraw/zinc/30/68/22/1183306822.db2.gz GWVIERIANUUTQQ-GASCZTMLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001733183411 1183320960 /nfs/dbraw/zinc/32/09/60/1183320960.db2.gz OSYCWTBKCCMUFH-OAHLLOKOSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001733222329 1183348632 /nfs/dbraw/zinc/34/86/32/1183348632.db2.gz AGENVLXWVPWTQQ-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001733260624 1183374709 /nfs/dbraw/zinc/37/47/09/1183374709.db2.gz QPFVSGBGAJVDAE-LBPRGKRZSA-N 2 0 276.384 1.403 10 30 CDEERP CC#CC[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001733364166 1183411087 /nfs/dbraw/zinc/41/10/87/1183411087.db2.gz ZNYMWWBGUVHFBC-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001733416974 1183427149 /nfs/dbraw/zinc/42/71/49/1183427149.db2.gz NFRPFZXFKDJWKG-QGZVFWFLSA-N 2 0 291.439 1.466 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001733853745 1183551313 /nfs/dbraw/zinc/55/13/13/1183551313.db2.gz OEHXUROZZQQINO-HOTGVXAUSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001733981610 1183600135 /nfs/dbraw/zinc/60/01/35/1183600135.db2.gz ZTXQPCJYPKQJIW-KBPBESRZSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001734001573 1183610540 /nfs/dbraw/zinc/61/05/40/1183610540.db2.gz OFQZRVLQYMMITN-CHWSQXEVSA-N 2 0 255.406 1.387 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001734131724 1183670197 /nfs/dbraw/zinc/67/01/97/1183670197.db2.gz UOWABQSVVAPQBL-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C[C@H]1CC(=O)[C@](C)([N+]2(C)CCCCC2)C[N+]1(C)C ZINC000002034549 717093906 /nfs/dbraw/zinc/09/39/06/717093906.db2.gz QSIWBFWQWCYEQE-DZGCQCFKSA-N 2 0 254.418 1.813 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001342449800 963742954 /nfs/dbraw/zinc/74/29/54/963742954.db2.gz UMFZKBQGNFCVDE-UPJWGTAASA-N 2 0 253.390 1.113 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001276047951 1166735424 /nfs/dbraw/zinc/73/54/24/1166735424.db2.gz IXYIQDPPWUBGFB-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001566465215 1168288925 /nfs/dbraw/zinc/28/89/25/1168288925.db2.gz KEIUUUPYTJOUDD-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001566893976 1168458990 /nfs/dbraw/zinc/45/89/90/1168458990.db2.gz SMDITCLDOKBAJZ-OWCLPIDISA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]C1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001566984745 1168488166 /nfs/dbraw/zinc/48/81/66/1168488166.db2.gz ANBANSFPRUCZCI-UYSNPLJNSA-N 2 0 291.439 1.511 10 30 CDEERP C=C(C)CN1CC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001483680134 912653092 /nfs/dbraw/zinc/65/30/92/912653092.db2.gz VYSICSPCXNSWEW-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001567201515 1168616576 /nfs/dbraw/zinc/61/65/76/1168616576.db2.gz BUWNUFHTVSQISF-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001266438706 894893457 /nfs/dbraw/zinc/89/34/57/894893457.db2.gz DAPXNRQZVIFGOO-LSDHHAIUSA-N 2 0 279.428 1.080 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001266533486 895256215 /nfs/dbraw/zinc/25/62/15/895256215.db2.gz KQHMPDBDYOVTKV-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266635017 895646777 /nfs/dbraw/zinc/64/67/77/895646777.db2.gz PFRXZCJYIKBYLI-RBSFLKMASA-N 2 0 281.444 1.776 10 30 CDEERP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001266770409 896012876 /nfs/dbraw/zinc/01/28/76/896012876.db2.gz VUXKDCJUBMAMSR-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266876232 896264882 /nfs/dbraw/zinc/26/48/82/896264882.db2.gz JMIVNGRMBMJDGE-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001266963655 896454559 /nfs/dbraw/zinc/45/45/59/896454559.db2.gz BXDHMNRHTQXFCY-GDBMZVCRSA-N 2 0 291.439 1.511 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001267046962 896629098 /nfs/dbraw/zinc/62/90/98/896629098.db2.gz GLCZMVDTGQDJOO-JKSUJKDBSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267476076 898105366 /nfs/dbraw/zinc/10/53/66/898105366.db2.gz UFVIYOHBOXTEEE-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001481019414 898510784 /nfs/dbraw/zinc/51/07/84/898510784.db2.gz RRAOTOWETOPWJT-UHFFFAOYSA-N 2 0 287.407 1.433 10 30 CDEERP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267595354 898645051 /nfs/dbraw/zinc/64/50/51/898645051.db2.gz QWWYPHHRGXUYRC-GJZGRUSLSA-N 2 0 279.428 1.034 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267639086 899122717 /nfs/dbraw/zinc/12/27/17/899122717.db2.gz XYUBWWHUVMYGFX-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267646767 899152353 /nfs/dbraw/zinc/15/23/53/899152353.db2.gz RSPXTRVDXOYJHM-JKSUJKDBSA-N 2 0 291.439 1.273 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567684306 1168916593 /nfs/dbraw/zinc/91/65/93/1168916593.db2.gz DAIVYINDIVCMJZ-HUUCEWRRSA-N 2 0 281.444 1.826 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001481277293 899918200 /nfs/dbraw/zinc/91/82/00/899918200.db2.gz NKIAWDXCMPRNHY-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001481435589 900657995 /nfs/dbraw/zinc/65/79/95/900657995.db2.gz PTVUBNGRLKWSEM-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268106413 901304706 /nfs/dbraw/zinc/30/47/06/901304706.db2.gz UEWWKYFSELLORE-JKSUJKDBSA-N 2 0 293.455 1.613 10 30 CDEERP C=CCC[NH+]1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001481661078 901748112 /nfs/dbraw/zinc/74/81/12/901748112.db2.gz MKTCIUDXLGZTCN-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001268288057 901753456 /nfs/dbraw/zinc/75/34/56/901753456.db2.gz IRHKQYPGDSCNSC-CABCVRRESA-N 2 0 291.439 1.533 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC(=C)C)CC1 ZINC001282240982 901775918 /nfs/dbraw/zinc/77/59/18/901775918.db2.gz HQUKWYWVXMOCNT-LSDHHAIUSA-N 2 0 291.439 1.391 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001269443028 903811853 /nfs/dbraw/zinc/81/18/53/903811853.db2.gz QJMJQXCUXHPXEW-UHFFFAOYSA-N 2 0 296.374 1.518 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCC1 ZINC001482222105 903839683 /nfs/dbraw/zinc/83/96/83/903839683.db2.gz DEQBBSUDWHIZNV-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001269736581 904075244 /nfs/dbraw/zinc/07/52/44/904075244.db2.gz DXIIFYDARSPHHL-AWEZNQCLSA-N 2 0 290.411 1.747 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001269812440 904129147 /nfs/dbraw/zinc/12/91/47/904129147.db2.gz GJNRBQVXNSRQRD-GOEBONIOSA-N 2 0 293.455 1.968 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001270187681 904427812 /nfs/dbraw/zinc/42/78/12/904427812.db2.gz JZHNLIUUJBJJDM-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482298426 904751952 /nfs/dbraw/zinc/75/19/52/904751952.db2.gz JQNLSEXXQVYYRF-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001271711417 906612443 /nfs/dbraw/zinc/61/24/43/906612443.db2.gz HINZDPCKIPQKGV-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001567938930 1169082691 /nfs/dbraw/zinc/08/26/91/1169082691.db2.gz LYAZPONOWQVOFR-HNNXBMFYSA-N 2 0 277.412 1.027 10 30 CDEERP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@H]21 ZINC001272227910 909312988 /nfs/dbraw/zinc/31/29/88/909312988.db2.gz XBEDDRCSHFIVTI-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001483383735 911029978 /nfs/dbraw/zinc/02/99/78/911029978.db2.gz JGUBBPQXQTVSQX-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](C(C)C)CC1 ZINC001483989177 915270094 /nfs/dbraw/zinc/27/00/94/915270094.db2.gz ZWXMPODEVAAKTC-MRXNPFEDSA-N 2 0 293.455 1.661 10 30 CDEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484162246 915484819 /nfs/dbraw/zinc/48/48/19/915484819.db2.gz YSXZFQQDKVIBEZ-BFYDXBDKSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484176616 915491842 /nfs/dbraw/zinc/49/18/42/915491842.db2.gz VVXGBBSJYXLQBS-DOTOQJQBSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001485260796 916704595 /nfs/dbraw/zinc/70/45/95/916704595.db2.gz QVDBDCAIMVAIFB-UHFFFAOYSA-N 2 0 295.471 1.672 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001485921740 920580382 /nfs/dbraw/zinc/58/03/82/920580382.db2.gz CUDOJEWFYFLZAP-ZDUSSCGKSA-N 2 0 267.417 1.034 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001486424982 921001034 /nfs/dbraw/zinc/00/10/34/921001034.db2.gz YYARJRDRXXLTLO-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001491232225 936881767 /nfs/dbraw/zinc/88/17/67/936881767.db2.gz WQILHRHIMIAETA-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP 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 936895282 /nfs/dbraw/zinc/89/52/82/936895282.db2.gz QKXALZRLDLTIMG-LEOABGAYSA-N 2 0 291.439 1.339 10 30 CDEERP C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001488999718 926770977 /nfs/dbraw/zinc/77/09/77/926770977.db2.gz CKWBLRSGDOOBAQ-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001274413777 931498309 /nfs/dbraw/zinc/49/83/09/931498309.db2.gz OISBIRVSJGKXEY-SNAWJCMRSA-N 2 0 265.401 1.166 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001276710887 940819150 /nfs/dbraw/zinc/81/91/50/940819150.db2.gz AWLRBOWUJCFKCO-MRXNPFEDSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001276798091 941283742 /nfs/dbraw/zinc/28/37/42/941283742.db2.gz BRCUWSBTUBGTCH-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001282739573 942747345 /nfs/dbraw/zinc/74/73/45/942747345.db2.gz VFVBMOQPYDCSOS-KGLIPLIRSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001282739731 942748145 /nfs/dbraw/zinc/74/81/45/942748145.db2.gz VFVBMOQPYDCSOS-UONOGXRCSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001283723214 942977442 /nfs/dbraw/zinc/97/74/42/942977442.db2.gz NIASRGVBLKAQJY-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001284015384 943050689 /nfs/dbraw/zinc/05/06/89/943050689.db2.gz RRYPWSGGDTUZFI-HOCLYGCPSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001284277566 943137559 /nfs/dbraw/zinc/13/75/59/943137559.db2.gz UVDPLCHXGLFGMN-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CCC[NH2+]1 ZINC001263239501 943799685 /nfs/dbraw/zinc/79/96/85/943799685.db2.gz NDZQHTHUUOWIEF-INMHGKMJSA-N 2 0 285.391 1.426 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001263880755 944020075 /nfs/dbraw/zinc/02/00/75/944020075.db2.gz YSPIXIRDSUFOPE-LDKKBFSKSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001264380344 944119482 /nfs/dbraw/zinc/11/94/82/944119482.db2.gz HTOOYHCKBKWSCY-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265217370 944282758 /nfs/dbraw/zinc/28/27/58/944282758.db2.gz VHDKTOPDPUYMRP-ZDUSSCGKSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)C[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001479892003 971471615 /nfs/dbraw/zinc/47/16/15/971471615.db2.gz KHUNTKWEWBILDT-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001569022467 1169600609 /nfs/dbraw/zinc/60/06/09/1169600609.db2.gz MHLUYCXTBVVUNE-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480187793 971617615 /nfs/dbraw/zinc/61/76/15/971617615.db2.gz DRMYNYZSDSSRNN-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480254455 971649594 /nfs/dbraw/zinc/64/95/94/971649594.db2.gz AYMINJZZJYSFRZ-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001480653677 971826146 /nfs/dbraw/zinc/82/61/46/971826146.db2.gz OHYBFMGSCZMFFE-AWEZNQCLSA-N 2 0 298.390 1.880 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001493108760 971952359 /nfs/dbraw/zinc/95/23/59/971952359.db2.gz REEKNFMTOLJCCZ-HUUCEWRRSA-N 2 0 297.418 1.270 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001569174444 1169702868 /nfs/dbraw/zinc/70/28/68/1169702868.db2.gz KCVHNYWTJJLIAE-HUUCEWRRSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001493256779 971999306 /nfs/dbraw/zinc/99/93/06/971999306.db2.gz NYNPXANOPAUWPH-LSDHHAIUSA-N 2 0 281.444 1.587 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001326555230 954431281 /nfs/dbraw/zinc/43/12/81/954431281.db2.gz NSMHHZPZGJAHJP-JYJNAYRXSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001491599694 955308586 /nfs/dbraw/zinc/30/85/86/955308586.db2.gz BBSLWOKSWUJJLA-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001491732774 955399852 /nfs/dbraw/zinc/39/98/52/955399852.db2.gz BOOUCFOQAWVBBQ-HNNXBMFYSA-N 2 0 289.423 1.076 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001491767476 955412806 /nfs/dbraw/zinc/41/28/06/955412806.db2.gz HWIFMIQAMPTCNV-RDJZCZTQSA-N 2 0 291.439 1.629 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491873213 955486505 /nfs/dbraw/zinc/48/65/05/955486505.db2.gz CPVZUCGINAFNPX-CABCVRRESA-N 2 0 291.439 1.511 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1ncc[nH]1 ZINC001329148567 955720072 /nfs/dbraw/zinc/72/00/72/955720072.db2.gz FRPKPVTVMLMJTJ-MNOVXSKESA-N 2 0 250.346 1.011 10 30 CDEERP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001329439733 955916852 /nfs/dbraw/zinc/91/68/52/955916852.db2.gz BURITCJKTDOZTG-ZFWWWQNUSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)CCC[NH+](C)C)C1 ZINC001493959297 972145497 /nfs/dbraw/zinc/14/54/97/972145497.db2.gz FJWFJDJGOALORB-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001330021637 956236204 /nfs/dbraw/zinc/23/62/04/956236204.db2.gz LGIKYNGHQSTJRG-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001317493082 956699644 /nfs/dbraw/zinc/69/96/44/956699644.db2.gz SBLJEURHWYKGRD-GASCZTMLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001316804796 957028751 /nfs/dbraw/zinc/02/87/51/957028751.db2.gz WLEZFSFPHLBEEV-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001316956181 957153244 /nfs/dbraw/zinc/15/32/44/957153244.db2.gz ZSNLPZZNJXUNCH-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001569269851 1169741627 /nfs/dbraw/zinc/74/16/27/1169741627.db2.gz FWEPOFJDHMSBPE-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001424727960 957325911 /nfs/dbraw/zinc/32/59/11/957325911.db2.gz TXUAZNHAQOSDTR-UHFFFAOYSA-N 2 0 299.846 1.708 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001331929402 957342641 /nfs/dbraw/zinc/34/26/41/957342641.db2.gz QYEFVGMIQCKVRI-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001317218740 957351345 /nfs/dbraw/zinc/35/13/45/957351345.db2.gz VFKWVOLFWXUWMC-PRLABOORSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001317295182 957409605 /nfs/dbraw/zinc/40/96/05/957409605.db2.gz VEQNIPQNXJSDPY-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001317321688 957422779 /nfs/dbraw/zinc/42/27/79/957422779.db2.gz HVJGXEHHDAKZBG-HUUCEWRRSA-N 2 0 297.418 1.128 10 30 CDEERP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317350211 957433075 /nfs/dbraw/zinc/43/30/75/957433075.db2.gz KDCZSPDSMLRWIB-KBPBESRZSA-N 2 0 277.412 1.121 10 30 CDEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317380719 957442793 /nfs/dbraw/zinc/44/27/93/957442793.db2.gz GGAKODLWLJVAMK-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317534303 957534150 /nfs/dbraw/zinc/53/41/50/957534150.db2.gz AOJKROVAOVMTDG-OAHLLOKOSA-N 2 0 279.428 1.487 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001332389089 957542057 /nfs/dbraw/zinc/54/20/57/957542057.db2.gz WBEZOFBHDUKVBL-CQSZACIVSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001494686660 972289371 /nfs/dbraw/zinc/28/93/71/972289371.db2.gz XPJPPTDTRHHGPZ-HOTGVXAUSA-N 2 0 289.423 1.171 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001318492021 958131019 /nfs/dbraw/zinc/13/10/19/958131019.db2.gz NFZPVCAWDKMXLK-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001367676876 958204994 /nfs/dbraw/zinc/20/49/94/958204994.db2.gz QAYJUKVGEZEAJV-CHWSQXEVSA-N 2 0 287.835 1.708 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001494924485 972337763 /nfs/dbraw/zinc/33/77/63/972337763.db2.gz KVEBKHKINLIQAY-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C#CCC[NH+]1CC=C(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001333433036 958332704 /nfs/dbraw/zinc/33/27/04/958332704.db2.gz HYJFVZPAHZCOEV-UHFFFAOYSA-N 2 0 277.412 1.100 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001320176009 958989497 /nfs/dbraw/zinc/98/94/97/958989497.db2.gz XECIAZZZTLVXRW-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001368888014 959228428 /nfs/dbraw/zinc/22/84/28/959228428.db2.gz AEFUQSSTTBGEFI-VXGBXAGGSA-N 2 0 275.824 1.562 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001321303068 959707609 /nfs/dbraw/zinc/70/76/09/959707609.db2.gz HEERBWSJTSQXHJ-WAYWQWQTSA-N 2 0 277.412 1.004 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001321418249 959776186 /nfs/dbraw/zinc/77/61/86/959776186.db2.gz YDDBBJAMQHEWID-YOVCOIKASA-N 2 0 277.412 1.145 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001323292552 960619833 /nfs/dbraw/zinc/61/98/33/960619833.db2.gz FVFIAYRYBBAWNQ-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001495505439 972523588 /nfs/dbraw/zinc/52/35/88/972523588.db2.gz PIMVTGPXMHKEGK-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323858418 961008210 /nfs/dbraw/zinc/00/82/10/961008210.db2.gz CJGFUKNPFRRJQK-INIZCTEOSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001342308898 963706171 /nfs/dbraw/zinc/70/61/71/963706171.db2.gz ZXYLFAOYJXBZCJ-CJNGLKHVSA-N 2 0 281.444 1.894 10 30 CDEERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC001349821920 966485359 /nfs/dbraw/zinc/48/53/59/966485359.db2.gz BLRHIFVXQWIPIM-KGLIPLIRSA-N 2 0 280.416 1.246 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001447889744 966918510 /nfs/dbraw/zinc/91/85/10/966918510.db2.gz AZMVRIGMIXKILC-NEPJUHHUSA-N 2 0 275.824 1.564 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001569557264 1169922688 /nfs/dbraw/zinc/92/26/88/1169922688.db2.gz SUHBPWLSDRCZES-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001496064262 972782316 /nfs/dbraw/zinc/78/23/16/972782316.db2.gz PRVVNTGMTNLFLC-QLFBSQMISA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001496371182 972900102 /nfs/dbraw/zinc/90/01/02/972900102.db2.gz YVDXHQNFUFBTNL-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001496796703 973103572 /nfs/dbraw/zinc/10/35/72/973103572.db2.gz KLISLQJYFFULAD-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497699453 973469002 /nfs/dbraw/zinc/46/90/02/973469002.db2.gz CZFIEROOAGUCNJ-WAYWQWQTSA-N 2 0 285.391 1.257 10 30 CDEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001569694961 1169967914 /nfs/dbraw/zinc/96/79/14/1169967914.db2.gz CFHASVCTOUVMSJ-INIZCTEOSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001498850425 974076572 /nfs/dbraw/zinc/07/65/72/974076572.db2.gz XFCQJVLODVTXHV-INIZCTEOSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001499420794 974252133 /nfs/dbraw/zinc/25/21/33/974252133.db2.gz JXIFXCLIBIZOQZ-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001505632455 974943706 /nfs/dbraw/zinc/94/37/06/974943706.db2.gz LHMYOKWEZFEAOR-KBPBESRZSA-N 2 0 297.443 1.014 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CC(C)C)CC1 ZINC001507160508 975359156 /nfs/dbraw/zinc/35/91/56/975359156.db2.gz DJRDBBVEADLTBF-HNNXBMFYSA-N 2 0 293.455 1.424 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001507292905 975401035 /nfs/dbraw/zinc/40/10/35/975401035.db2.gz MSXWWMFVZQIABC-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001508059212 975594617 /nfs/dbraw/zinc/59/46/17/975594617.db2.gz MKAXSMGHVMAOQZ-CQSZACIVSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001398614009 976074705 /nfs/dbraw/zinc/07/47/05/976074705.db2.gz BAARNAWTQANACC-TXEJJXNPSA-N 2 0 285.819 1.460 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001382151050 977166010 /nfs/dbraw/zinc/16/60/10/977166010.db2.gz JZIDBFKXSDQFAK-LBPRGKRZSA-N 2 0 285.819 1.271 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001674140664 1173917440 /nfs/dbraw/zinc/91/74/40/1173917440.db2.gz HWBLMUIJBPXJQN-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001675672912 1174136208 /nfs/dbraw/zinc/13/62/08/1174136208.db2.gz LCNVTUNUUCUZHN-UHFFFAOYSA-N 2 0 265.401 1.049 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001675909445 1174164761 /nfs/dbraw/zinc/16/47/61/1174164761.db2.gz IWWIIYPDXBQEID-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001676872703 1174286155 /nfs/dbraw/zinc/28/61/55/1174286155.db2.gz KZALGXXNQLYUOG-LSDHHAIUSA-N 2 0 291.439 1.463 10 30 CDEERP CC#CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)CCC)CC1 ZINC001677367620 1174354398 /nfs/dbraw/zinc/35/43/98/1174354398.db2.gz IOWHSGHKMCGPBJ-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001570398255 1170151390 /nfs/dbraw/zinc/15/13/90/1170151390.db2.gz ZAHCKIRPZKXAKS-LSDHHAIUSA-N 2 0 295.471 1.975 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001570702720 1170241711 /nfs/dbraw/zinc/24/17/11/1170241711.db2.gz XLKYZWRACMHMDG-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CCN(C)CC2)C1 ZINC000651690334 398151559 /nfs/dbraw/zinc/15/15/59/398151559.db2.gz APISXKGXCNGWJJ-ZIAGYGMSSA-N 2 0 265.401 1.095 10 30 CDEERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439783 342906636 /nfs/dbraw/zinc/90/66/36/342906636.db2.gz ZSVCYMRGBXTVOQ-CABCVRRESA-N 2 0 294.443 1.492 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000594441722 342907820 /nfs/dbraw/zinc/90/78/20/342907820.db2.gz VVTLEIOOOWVUJQ-AWEZNQCLSA-N 2 0 278.400 1.141 10 30 CDEERP CC[NH+]1CCC(CC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600726246 342245203 /nfs/dbraw/zinc/24/52/03/342245203.db2.gz RVKQKVABWOINCI-OAHLLOKOSA-N 2 0 279.428 1.753 10 30 CDEERP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C(C)(C)C[NH+](C)C ZINC000600726783 342245286 /nfs/dbraw/zinc/24/52/86/342245286.db2.gz UURIKPHNXXWLDO-QWHCGFSZSA-N 2 0 267.417 1.607 10 30 CDEERP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)CC2(C#N)CC2)CCCO1 ZINC000600734390 342246002 /nfs/dbraw/zinc/24/60/02/342246002.db2.gz OQICIQTWCFMDKR-GJZGRUSLSA-N 2 0 295.427 1.132 10 30 CDEERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595842570 343172906 /nfs/dbraw/zinc/17/29/06/343172906.db2.gz FQSJQVKYRXFUCY-INIZCTEOSA-N 2 0 278.444 1.638 10 30 CDEERP CC(C)(C#N)CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595868552 343176376 /nfs/dbraw/zinc/17/63/76/343176376.db2.gz PUMRJOVWVOFONK-OAHLLOKOSA-N 2 0 279.428 1.847 10 30 CDEERP C=CC[C@]1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC[NH2+]1 ZINC000621699843 350728815 /nfs/dbraw/zinc/72/88/15/350728815.db2.gz CQRSIBYYSFPWPZ-NWANDNLSSA-N 2 0 263.385 1.025 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001660851781 1172291183 /nfs/dbraw/zinc/29/11/83/1172291183.db2.gz ZGPHQNMZLSLRFT-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001661231465 1172355129 /nfs/dbraw/zinc/35/51/29/1172355129.db2.gz LNTMLOBNRKTIHO-HNNXBMFYSA-N 2 0 291.439 1.439 10 30 CDEERP C=C(C)C[C@@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000545247420 369174105 /nfs/dbraw/zinc/17/41/05/369174105.db2.gz LOAJAONXUHYXIG-CQSZACIVSA-N 2 0 269.433 1.541 10 30 CDEERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000568632230 371228767 /nfs/dbraw/zinc/22/87/67/371228767.db2.gz MUXMRJRHODLRRJ-MAZHCROVSA-N 2 0 273.380 1.595 10 30 CDEERP CN/C(=[NH+]/C)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000306786316 375123852 /nfs/dbraw/zinc/12/38/52/375123852.db2.gz OYVYYQPOLYBSTF-UHFFFAOYSA-N 2 0 274.412 1.788 10 30 CDEERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](C#N)CCC#N)CC1 ZINC000248089520 377199085 /nfs/dbraw/zinc/19/90/85/377199085.db2.gz FCBFJOLTXGGQBA-GOEBONIOSA-N 2 0 292.427 1.455 10 30 CDEERP C=CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001663317248 1172671359 /nfs/dbraw/zinc/67/13/59/1172671359.db2.gz DNALNZJMJOQJHF-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001663317249 1172672077 /nfs/dbraw/zinc/67/20/77/1172672077.db2.gz DNALNZJMJOQJHF-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CCC[NH2+]1 ZINC000662754155 413429845 /nfs/dbraw/zinc/42/98/45/413429845.db2.gz FQBPSMRDGABJIY-JGGQBBKZSA-N 2 0 277.412 1.284 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001665350034 1172982787 /nfs/dbraw/zinc/98/27/87/1172982787.db2.gz FONLQUDIAIMVGR-HIFRSBDPSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001665681403 1173036970 /nfs/dbraw/zinc/03/69/70/1173036970.db2.gz FEKUOFSVYGENQE-LSDHHAIUSA-N 2 0 281.444 1.681 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](CCC)C2)CCC[NH2+]1 ZINC000662910260 413692989 /nfs/dbraw/zinc/69/29/89/413692989.db2.gz MZERZCVLQOBGIZ-DZGCQCFKSA-N 2 0 265.401 1.285 10 30 CDEERP [NH3+]CC#Cc1ccsc1C[N@@H+]1CCC[C@@H]1CO ZINC000043683942 175092221 /nfs/dbraw/zinc/09/22/21/175092221.db2.gz HTMPHFIBQBEBJK-GFCCVEGCSA-N 2 0 250.367 1.015 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001666546592 1173150360 /nfs/dbraw/zinc/15/03/60/1173150360.db2.gz KSYPZGWACKDBNI-DZGCQCFKSA-N 2 0 279.428 1.246 10 30 CDEERP CC(C)[NH+](CC#CC[N@@H+](C[C@@H](C)O)C(C)C)C[C@@H](C)O ZINC000341879201 263361920 /nfs/dbraw/zinc/36/19/20/263361920.db2.gz AYJBABXMEFLPLF-HZPDHXFCSA-N 2 0 284.444 1.172 10 30 CDEERP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001667393673 1173263201 /nfs/dbraw/zinc/26/32/01/1173263201.db2.gz ORHZAZYZYOUELL-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCC(=C)C)CC1 ZINC001669482041 1173555207 /nfs/dbraw/zinc/55/52/07/1173555207.db2.gz DQEFSQLAZIXKCX-OAHLLOKOSA-N 2 0 291.439 1.392 10 30 CDEERP N#C[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000185781319 329331709 /nfs/dbraw/zinc/33/17/09/329331709.db2.gz CGZODFJDADUJGM-CABCVRRESA-N 2 0 265.401 1.771 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267032707 1159093784 /nfs/dbraw/zinc/09/37/84/1159093784.db2.gz LGTICAIGIPUOMZ-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001698903060 1159154734 /nfs/dbraw/zinc/15/47/34/1159154734.db2.gz ZURWBMCDCONXEJ-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC000262305314 330005045 /nfs/dbraw/zinc/00/50/45/330005045.db2.gz AIAXZLDNKFHMCF-OLZOCXBDSA-N 2 0 282.432 1.142 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CN(C)C(NCC1(O)CCCC1)=[NH+]C ZINC000262818551 330033915 /nfs/dbraw/zinc/03/39/15/330033915.db2.gz XHZUGLLEZIFMCN-AWEZNQCLSA-N 2 0 296.459 1.283 10 30 CDEERP C=CC[C@H](CO)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423030640 330166377 /nfs/dbraw/zinc/16/63/77/330166377.db2.gz CBRVLOQOEATTMO-KMFMINBZSA-N 2 0 288.391 1.769 10 30 CDEERP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001725237094 1159235252 /nfs/dbraw/zinc/23/52/52/1159235252.db2.gz ADTNSEBGCGMNEF-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCOc1ccccc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344529554 526948710 /nfs/dbraw/zinc/94/87/10/526948710.db2.gz JJNVQYROUDOAER-UHFFFAOYSA-N 2 0 290.407 1.798 10 30 CDEERP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001686989405 1174816062 /nfs/dbraw/zinc/81/60/62/1174816062.db2.gz HBTLKJJNNCQXBM-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000939399624 613351341 /nfs/dbraw/zinc/35/13/41/613351341.db2.gz ZRMCQBXCXBQLCI-HOTGVXAUSA-N 2 0 293.455 1.731 10 30 CDEERP C#C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCOCC1 ZINC000895434558 619660783 /nfs/dbraw/zinc/66/07/83/619660783.db2.gz BBXJTYAUVLGPBW-WTXIUTQJSA-N 2 0 262.397 1.630 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](CCC)CC1 ZINC000900556594 623258052 /nfs/dbraw/zinc/25/80/52/623258052.db2.gz WAPMYNYAQOVSSE-UHFFFAOYSA-N 2 0 253.390 1.049 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000900658157 623338458 /nfs/dbraw/zinc/33/84/58/623338458.db2.gz HEBHANOYTFLDBU-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000900885265 623606772 /nfs/dbraw/zinc/60/67/72/623606772.db2.gz GRRJABSOQJUOTG-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000907385043 627632204 /nfs/dbraw/zinc/63/22/04/627632204.db2.gz BSIVVYDIEGSLMI-UHFFFAOYSA-N 2 0 265.401 1.263 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](CC)[NH2+][C@@H](C)C1 ZINC000912731235 630182753 /nfs/dbraw/zinc/18/27/53/630182753.db2.gz PKJKPKXUSBOYFC-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000261712845 679715369 /nfs/dbraw/zinc/71/53/69/679715369.db2.gz DUYQFVHTDGKMQH-KGLIPLIRSA-N 2 0 282.432 1.190 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001690977947 1158511506 /nfs/dbraw/zinc/51/15/06/1158511506.db2.gz MQQBQFFJEWWRFT-MRXNPFEDSA-N 2 0 299.434 1.823 10 30 CDEERP C=CCN1CC[C@H]([N@H+](C)CCCCCC[NH3+])C1=O ZINC000872155044 681235753 /nfs/dbraw/zinc/23/57/53/681235753.db2.gz ALQKTJJNRAHBLK-ZDUSSCGKSA-N 2 0 253.390 1.224 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000876708500 679803089 /nfs/dbraw/zinc/80/30/89/679803089.db2.gz RVHIQJBDMNKKSS-JTQLQIEISA-N 2 0 261.797 1.160 10 30 CDEERP [NH3+]Cc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852789502 679816442 /nfs/dbraw/zinc/81/64/42/679816442.db2.gz ADDZHJUDONTNSB-UHFFFAOYSA-N 2 0 257.337 1.087 10 30 CDEERP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000203053467 679853162 /nfs/dbraw/zinc/85/31/62/679853162.db2.gz BYSRGLPJJUHRIL-ZDUSSCGKSA-N 2 0 266.433 1.954 10 30 CDEERP CN1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000867999116 679858750 /nfs/dbraw/zinc/85/87/50/679858750.db2.gz RSKNGMNITWVRNQ-GJZGRUSLSA-N 2 0 286.379 1.310 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000876716684 681887065 /nfs/dbraw/zinc/88/70/65/681887065.db2.gz KCTLQJRGGRXEDH-NEPJUHHUSA-N 2 0 275.824 1.549 10 30 CDEERP C=C(C)[C@@H](CO)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260555 681532770 /nfs/dbraw/zinc/53/27/70/681532770.db2.gz QCRLJFQFMDXLQH-DZGCQCFKSA-N 2 0 261.369 1.529 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000876717052 681895733 /nfs/dbraw/zinc/89/57/33/681895733.db2.gz UUGNWLUSESROTG-ZDUSSCGKSA-N 2 0 287.835 1.693 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000876935913 682010622 /nfs/dbraw/zinc/01/06/22/682010622.db2.gz SQLNDFYKRIBSCO-WDEREUQCSA-N 2 0 271.792 1.247 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1CC ZINC001670596529 1158654512 /nfs/dbraw/zinc/65/45/12/1158654512.db2.gz WLQKTBQOGCVFRK-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000876854403 682478107 /nfs/dbraw/zinc/47/81/07/682478107.db2.gz SHQLAOFWCVHPJU-STQMWFEESA-N 2 0 285.819 1.304 10 30 CDEERP C[C@H]([NH3+])c1ccc(CNC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852798680 682612623 /nfs/dbraw/zinc/61/26/23/682612623.db2.gz NOBNRLWZTBIKIJ-ZDUSSCGKSA-N 2 0 285.391 1.326 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C[NH+](CC)CC ZINC000876733007 682647842 /nfs/dbraw/zinc/64/78/42/682647842.db2.gz LXCFQAQKWCKMDD-MNOVXSKESA-N 2 0 261.797 1.303 10 30 CDEERP C#CCN(C)CCC[NH2+][C@H](CC)C[C@](C)(O)CC ZINC000926491423 683181192 /nfs/dbraw/zinc/18/11/92/683181192.db2.gz WIGILNYBKYJUSY-HUUCEWRRSA-N 2 0 254.418 1.861 10 30 CDEERP C=CC[C@]1(C(=O)NCC[N@@H+](CC)C(C)C)CCC[NH2+]1 ZINC000852864906 683326830 /nfs/dbraw/zinc/32/68/30/683326830.db2.gz LWDIRHKTMVVHHD-OAHLLOKOSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000876967907 683478268 /nfs/dbraw/zinc/47/82/68/683478268.db2.gz MZWNLMKNDQZOBO-YATPEIPISA-N 2 0 271.792 1.198 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000876770571 683690699 /nfs/dbraw/zinc/69/06/99/683690699.db2.gz HNHXGCDOZUGJEG-XQQFMLRXSA-N 2 0 287.835 1.788 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH+](C(C)C)C(C)C ZINC000876708676 684001162 /nfs/dbraw/zinc/00/11/62/684001162.db2.gz XMQSILTXTVRQRV-LBPRGKRZSA-N 2 0 275.824 1.691 10 30 CDEERP CCNC(NCC1CC[NH+](C2CCOCC2)CC1)=[NH+]CC ZINC000849215100 684084376 /nfs/dbraw/zinc/08/43/76/684084376.db2.gz NHKQFESSLGCNOL-UHFFFAOYSA-N 2 0 296.459 1.452 10 30 CDEERP CCNC(NC[C@H]1CC[N@@H+]1C1CCCCC1)=[NH+]CC ZINC000864357389 684138578 /nfs/dbraw/zinc/13/85/78/684138578.db2.gz VQJYJYFFFJEZTA-CQSZACIVSA-N 2 0 266.433 1.968 10 30 CDEERP CC[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N[C@@H]1C[C@@H]1C ZINC000083896204 684149407 /nfs/dbraw/zinc/14/94/07/684149407.db2.gz OQMYZVIPNJINNB-MELADBBJSA-N 2 0 266.433 1.824 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001691112095 1158915234 /nfs/dbraw/zinc/91/52/34/1158915234.db2.gz DNYFYNHWHLLBKL-OAHLLOKOSA-N 2 0 277.412 1.076 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001691520324 1160208704 /nfs/dbraw/zinc/20/87/04/1160208704.db2.gz GBFWJXUIGQAGPJ-KOMQPUFPSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001482551542 1160379916 /nfs/dbraw/zinc/37/99/16/1160379916.db2.gz REWNQJDXXADIJQ-OAHLLOKOSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001566131954 1168243064 /nfs/dbraw/zinc/24/30/64/1168243064.db2.gz SVYFQIIPFXRRDS-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001566815272 1168432003 /nfs/dbraw/zinc/43/20/03/1168432003.db2.gz PKGQCKCGICRGFH-WKILWMFISA-N 2 0 291.439 1.513 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001568466502 1169302277 /nfs/dbraw/zinc/30/22/77/1169302277.db2.gz AEQNWMFOTUXJTI-UONOGXRCSA-N 2 0 267.417 1.080 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001570263307 1170123107 /nfs/dbraw/zinc/12/31/07/1170123107.db2.gz JVUBNHUZOWRFQK-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001570860489 1170303352 /nfs/dbraw/zinc/30/33/52/1170303352.db2.gz UXTDCQFIBWNNND-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001571541990 1170469008 /nfs/dbraw/zinc/46/90/08/1170469008.db2.gz IQAHVUISZCGWMP-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001661510787 1172399938 /nfs/dbraw/zinc/39/99/38/1172399938.db2.gz JGPJYWSXGVGTIL-BIQWYFBQSA-N 2 0 277.412 1.119 10 30 CDEERP C=CCC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001662861543 1172606245 /nfs/dbraw/zinc/60/62/45/1172606245.db2.gz BJBVGIACICYWAN-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001665995815 1173098799 /nfs/dbraw/zinc/09/87/99/1173098799.db2.gz MGWDRRFKIHXHLU-UNEWFSDZSA-N 2 0 293.455 1.777 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001665996922 1173100145 /nfs/dbraw/zinc/10/01/45/1173100145.db2.gz ZPHCSSJTERREFQ-DOTOQJQBSA-N 2 0 293.455 1.920 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668162917 1173375649 /nfs/dbraw/zinc/37/56/49/1173375649.db2.gz KYMBLOHQRHVJFJ-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001669832714 1173617660 /nfs/dbraw/zinc/61/76/60/1173617660.db2.gz HNFFMCYSVKPDSH-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001690501585 1175482479 /nfs/dbraw/zinc/48/24/79/1175482479.db2.gz NAJUEPKGNJDTEZ-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001692070183 1175672742 /nfs/dbraw/zinc/67/27/42/1175672742.db2.gz WOMQGSHVUDRTCN-LVQVYYBASA-N 2 0 293.455 1.729 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001692384723 1175758932 /nfs/dbraw/zinc/75/89/32/1175758932.db2.gz YGDOREKVLOILNN-ILXRZTDVSA-N 2 0 277.412 1.189 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001698573482 1175850905 /nfs/dbraw/zinc/85/09/05/1175850905.db2.gz DLEGNKUIJCTMDX-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001698724576 1175904244 /nfs/dbraw/zinc/90/42/44/1175904244.db2.gz MBCKKWRIYZMDAP-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001699032421 1176050190 /nfs/dbraw/zinc/05/01/90/1176050190.db2.gz LVDARJOSFBKKOF-CVEARBPZSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001699751311 1176606177 /nfs/dbraw/zinc/60/61/77/1176606177.db2.gz AFZKDAAREKETGY-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001700052222 1176731901 /nfs/dbraw/zinc/73/19/01/1176731901.db2.gz GOYQKWSFQFTJNZ-KBPBESRZSA-N 2 0 299.846 1.661 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001700144418 1176769485 /nfs/dbraw/zinc/76/94/85/1176769485.db2.gz JTNBGAGGMNDONU-ZDUSSCGKSA-N 2 0 265.401 1.285 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001700439800 1176929140 /nfs/dbraw/zinc/92/91/40/1176929140.db2.gz BPEKCMRQDIXOAN-LSDHHAIUSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001700614838 1177039090 /nfs/dbraw/zinc/03/90/90/1177039090.db2.gz GNWNEMRTHVFJSX-HRCADAONSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC=C)C1 ZINC001707092122 1177948526 /nfs/dbraw/zinc/94/85/26/1177948526.db2.gz QXSOZNWINBNAFA-JYJNAYRXSA-N 2 0 289.423 1.145 10 30 CDEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)CC ZINC001707166133 1177961546 /nfs/dbraw/zinc/96/15/46/1177961546.db2.gz TYIHXKSKZBNWNG-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[N@@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001712990527 1178289672 /nfs/dbraw/zinc/28/96/72/1178289672.db2.gz CCAGYSIYYSURNX-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001713038020 1178324289 /nfs/dbraw/zinc/32/42/89/1178324289.db2.gz UEDAAAVXDDSZDX-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001713551407 1178640478 /nfs/dbraw/zinc/64/04/78/1178640478.db2.gz MAELARVILKFXSH-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001713704623 1178715864 /nfs/dbraw/zinc/71/58/64/1178715864.db2.gz ZFCMZJIYDIMKLX-IAGOWNOFSA-N 2 0 299.418 1.409 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001713892229 1178823731 /nfs/dbraw/zinc/82/37/31/1178823731.db2.gz SKJPFVHGXMPRGE-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001714014057 1178929181 /nfs/dbraw/zinc/92/91/81/1178929181.db2.gz KREMZTUUUFUDAX-LSDHHAIUSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001714042999 1178944601 /nfs/dbraw/zinc/94/46/01/1178944601.db2.gz KWTVFHCVNNKNFB-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001714133992 1178987435 /nfs/dbraw/zinc/98/74/35/1178987435.db2.gz MTFHOUBKJPYRCO-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001714243352 1179043793 /nfs/dbraw/zinc/04/37/93/1179043793.db2.gz JDIRASVBTGHQEA-JHJVBQTASA-N 2 0 276.384 1.574 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001714306309 1179077092 /nfs/dbraw/zinc/07/70/92/1179077092.db2.gz VHRMBIPSCYTLJV-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001714313345 1179080704 /nfs/dbraw/zinc/08/07/04/1179080704.db2.gz UKUJCBUZYZRALC-SHTZXODSSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001714727038 1179360289 /nfs/dbraw/zinc/36/02/89/1179360289.db2.gz HPZVSZYNKJCOIR-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001715386133 1179652852 /nfs/dbraw/zinc/65/28/52/1179652852.db2.gz MEDKJEZYOVRJPC-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001715619400 1179737593 /nfs/dbraw/zinc/73/75/93/1179737593.db2.gz IPTXMCXWYRIBFI-AWEZNQCLSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716480168 1180242597 /nfs/dbraw/zinc/24/25/97/1180242597.db2.gz NZRGVVBIBWTWGY-RRFJBIMHSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001717096733 1180530915 /nfs/dbraw/zinc/53/09/15/1180530915.db2.gz JHLLZUGODMJRJB-XHSDSOJGSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001717358899 1180627626 /nfs/dbraw/zinc/62/76/26/1180627626.db2.gz WDYSPHQKGRGJSL-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001717376036 1180635401 /nfs/dbraw/zinc/63/54/01/1180635401.db2.gz IZIWHHVPTXGUCL-KBPBESRZSA-N 2 0 265.401 1.047 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001717442963 1180674489 /nfs/dbraw/zinc/67/44/89/1180674489.db2.gz VYZPWCNUNHXVJG-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001717449968 1180677158 /nfs/dbraw/zinc/67/71/58/1180677158.db2.gz VBMUVECMZBSZQF-QQFBHYJXSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001717485704 1180700907 /nfs/dbraw/zinc/70/09/07/1180700907.db2.gz QWQCWSPUJAIKTQ-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001717638012 1180767013 /nfs/dbraw/zinc/76/70/13/1180767013.db2.gz SOEXMGQXZMGENJ-IHRRRGAJSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001717859891 1180897653 /nfs/dbraw/zinc/89/76/53/1180897653.db2.gz GIWFPPAACPRMLN-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001723552751 1181586573 /nfs/dbraw/zinc/58/65/73/1181586573.db2.gz SSIZSLAOVHBOEL-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001723797241 1181604564 /nfs/dbraw/zinc/60/45/64/1181604564.db2.gz WSBQFEWUXZQFJP-CYBMUJFWSA-N 2 0 267.417 1.435 10 30 CDEERP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001724644733 1181714081 /nfs/dbraw/zinc/71/40/81/1181714081.db2.gz BMIWCLBEKQIZDN-HOTGVXAUSA-N 2 0 293.455 1.968 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001724710472 1181731375 /nfs/dbraw/zinc/73/13/75/1181731375.db2.gz AIABVYOMTGVDTK-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001724785359 1181753649 /nfs/dbraw/zinc/75/36/49/1181753649.db2.gz QZQZKBRXXDYLTQ-UHFFFAOYSA-N 2 0 265.401 1.285 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001724840755 1181771011 /nfs/dbraw/zinc/77/10/11/1181771011.db2.gz BEDDMJCRTMUIEU-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001725059752 1181839237 /nfs/dbraw/zinc/83/92/37/1181839237.db2.gz SGEDGHBKOQWEFU-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001725072593 1181845587 /nfs/dbraw/zinc/84/55/87/1181845587.db2.gz WEEQIQSVVWAJQK-YMAMQOFZSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001725354483 1181971247 /nfs/dbraw/zinc/97/12/47/1181971247.db2.gz ZEEOXPLHBRZMIY-FVQBIDKESA-N 2 0 291.439 1.389 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725487302 1182021285 /nfs/dbraw/zinc/02/12/85/1182021285.db2.gz BRLOWQPZPPOAER-ZFWWWQNUSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001725612792 1182072422 /nfs/dbraw/zinc/07/24/22/1182072422.db2.gz AJFNVLSELDFJNL-ARFHVFGLSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001725661949 1182091108 /nfs/dbraw/zinc/09/11/08/1182091108.db2.gz HRWKOKVDQNJWAZ-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001725729556 1182113378 /nfs/dbraw/zinc/11/33/78/1182113378.db2.gz YYKGORQMJNYLFL-HUUCEWRRSA-N 2 0 279.428 1.129 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001731490867 1182417907 /nfs/dbraw/zinc/41/79/07/1182417907.db2.gz ZLTGALSDSALPPR-IYBDPMFKSA-N 2 0 291.439 1.367 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001731695698 1182521266 /nfs/dbraw/zinc/52/12/66/1182521266.db2.gz TZJSVMQCQYIILY-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001731733678 1182539468 /nfs/dbraw/zinc/53/94/68/1182539468.db2.gz RJPHCKBTPOGAPK-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH+]1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CCC)C1 ZINC001732184687 1182834325 /nfs/dbraw/zinc/83/43/25/1182834325.db2.gz IMVDJIIFRMTDPZ-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)CCCC[NH+](C)C)CCCC1 ZINC001732235586 1182874346 /nfs/dbraw/zinc/87/43/46/1182874346.db2.gz ZRRRYCZLRNZGBG-UHFFFAOYSA-N 2 0 293.455 1.760 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001732350264 1182921540 /nfs/dbraw/zinc/92/15/40/1182921540.db2.gz NYOUXZHIAHDPIT-ZDUSSCGKSA-N 2 0 298.390 1.622 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001732455011 1182974979 /nfs/dbraw/zinc/97/49/79/1182974979.db2.gz RAQPJKPISOQICW-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCCC[NH+](C)C ZINC001732549503 1183004728 /nfs/dbraw/zinc/00/47/28/1183004728.db2.gz XCZALMUXQXPDLQ-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001733460978 1183439372 /nfs/dbraw/zinc/43/93/72/1183439372.db2.gz RIZWZWXSOODYJE-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001733929044 1183572067 /nfs/dbraw/zinc/57/20/67/1183572067.db2.gz MJARHTUWSGSYFH-MRXNPFEDSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001733931142 1183574115 /nfs/dbraw/zinc/57/41/15/1183574115.db2.gz WMKCVCVUUBKKQQ-HOTGVXAUSA-N 2 0 291.439 1.437 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001734054170 1183637494 /nfs/dbraw/zinc/63/74/94/1183637494.db2.gz RDCVAEWNDYIOLH-CJNGLKHVSA-N 2 0 299.434 1.821 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001569108338 1167550584 /nfs/dbraw/zinc/55/05/84/1167550584.db2.gz HLPBKBKHXNWCEP-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001566465214 1168289566 /nfs/dbraw/zinc/28/95/66/1168289566.db2.gz KEIUUUPYTJOUDD-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001566488240 1168306123 /nfs/dbraw/zinc/30/61/23/1168306123.db2.gz LDSITABPGNASMP-CQSZACIVSA-N 2 0 269.433 1.587 10 30 CDEERP C#CCC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001566929557 1168471128 /nfs/dbraw/zinc/47/11/28/1168471128.db2.gz DEDLCJBSFYAXSY-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001483734570 913259867 /nfs/dbraw/zinc/25/98/67/913259867.db2.gz CVYOFMXJQKWRJF-OAHLLOKOSA-N 2 0 291.439 1.533 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266560446 895360519 /nfs/dbraw/zinc/36/05/19/895360519.db2.gz NGYCSXBAPWUVMY-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266607662 895536306 /nfs/dbraw/zinc/53/63/06/895536306.db2.gz GADUPECECRCLOF-SHTZXODSSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266809066 896093720 /nfs/dbraw/zinc/09/37/20/896093720.db2.gz RNLWGHKIYXGTGJ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266816486 896112258 /nfs/dbraw/zinc/11/22/58/896112258.db2.gz DJAZPEPCVNEBJI-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001267058810 896655212 /nfs/dbraw/zinc/65/52/12/896655212.db2.gz WHAZBWZKUKSGRN-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267069943 896684729 /nfs/dbraw/zinc/68/47/29/896684729.db2.gz GMUZVQIKXNRRHL-OAHLLOKOSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001267088422 896739046 /nfs/dbraw/zinc/73/90/46/896739046.db2.gz ZRXFALZFAKANMO-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267567404 898389291 /nfs/dbraw/zinc/38/92/91/898389291.db2.gz BXEIOABJKYOYJQ-OAHLLOKOSA-N 2 0 291.439 1.487 10 30 CDEERP C#CCC[NH+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001481043931 898675914 /nfs/dbraw/zinc/67/59/14/898675914.db2.gz HAHLFQRMCBABMN-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001267716745 899359171 /nfs/dbraw/zinc/35/91/71/899359171.db2.gz RZGFZLHBQLIDDZ-JYJNAYRXSA-N 2 0 293.455 1.824 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267734731 899438226 /nfs/dbraw/zinc/43/82/26/899438226.db2.gz WHKWVFVYCFHQDZ-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001267735616 899443416 /nfs/dbraw/zinc/44/34/16/899443416.db2.gz XSRSOMUBKSAXEL-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001267864388 899899656 /nfs/dbraw/zinc/89/96/56/899899656.db2.gz CLNSBIODIHMEHF-CZUORRHYSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267986664 900200412 /nfs/dbraw/zinc/20/04/12/900200412.db2.gz NTNSPNSJIJOUNA-MGPQQGTHSA-N 2 0 267.417 1.245 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001267988517 900207347 /nfs/dbraw/zinc/20/73/47/900207347.db2.gz UJZYSXDBRKFFGA-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001481508317 900965401 /nfs/dbraw/zinc/96/54/01/900965401.db2.gz IZFOJBZYZLDUOW-OAHLLOKOSA-N 2 0 281.444 1.683 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268110512 901313434 /nfs/dbraw/zinc/31/34/34/901313434.db2.gz GMRDBHOJFMQUTJ-LSDHHAIUSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001268491024 902363413 /nfs/dbraw/zinc/36/34/13/902363413.db2.gz JCHIUMWVFNFXOJ-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001269510626 903876005 /nfs/dbraw/zinc/87/60/05/903876005.db2.gz RMSGPFCPSNGCSD-LSDHHAIUSA-N 2 0 297.443 1.015 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001269926471 904213272 /nfs/dbraw/zinc/21/32/72/904213272.db2.gz CXERXEZRUWIPCF-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001269980842 904248313 /nfs/dbraw/zinc/24/83/13/904248313.db2.gz ICGXEFZNLQGHJM-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567838552 1169007826 /nfs/dbraw/zinc/00/78/26/1169007826.db2.gz DVJWCLLWRBLVMU-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482283630 904571642 /nfs/dbraw/zinc/57/16/42/904571642.db2.gz HBRFSWAXOPCUEU-OAHLLOKOSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001270420257 904624839 /nfs/dbraw/zinc/62/48/39/904624839.db2.gz RHLWENAHNNRCFA-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001270778078 905035662 /nfs/dbraw/zinc/03/56/62/905035662.db2.gz DSJLJPWDXBLRMO-ZOBUZTSGSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001271577156 906525386 /nfs/dbraw/zinc/52/53/86/906525386.db2.gz RIFNTHOWZNZFOF-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001271853764 906901423 /nfs/dbraw/zinc/90/14/23/906901423.db2.gz LQOGHWNPFGPIOS-ZDUSSCGKSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001271890817 906939700 /nfs/dbraw/zinc/93/97/00/906939700.db2.gz BUPRBHZAKQMCOE-OAGGEKHMSA-N 2 0 291.439 1.295 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567943926 1169086267 /nfs/dbraw/zinc/08/62/67/1169086267.db2.gz JGIOLXWFLFELBM-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001483082855 909301866 /nfs/dbraw/zinc/30/18/66/909301866.db2.gz YBWVFCZOSARSFQ-DOOVEFGSSA-N 2 0 293.455 1.945 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001568000361 1169112396 /nfs/dbraw/zinc/11/23/96/1169112396.db2.gz POSGMCRIPIMVQD-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001483448660 911131342 /nfs/dbraw/zinc/13/13/42/911131342.db2.gz XJXHNMGYEMFZLU-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001483811858 915095475 /nfs/dbraw/zinc/09/54/75/915095475.db2.gz DBZOKPDVTGGPJL-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001483914720 915188806 /nfs/dbraw/zinc/18/88/06/915188806.db2.gz ARODHTMVTKVPAQ-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484548360 915871192 /nfs/dbraw/zinc/87/11/92/915871192.db2.gz CCPKLARGFPNYSA-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001484663446 916009612 /nfs/dbraw/zinc/00/96/12/916009612.db2.gz UOBVOEHAHCVKSZ-GJZGRUSLSA-N 2 0 291.439 1.511 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001484921177 916276443 /nfs/dbraw/zinc/27/64/43/916276443.db2.gz PNXXTYVLGJGEGS-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001485102652 916501902 /nfs/dbraw/zinc/50/19/02/916501902.db2.gz NAUUDNMQQITDBF-NFOMZHRRSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485165715 916621245 /nfs/dbraw/zinc/62/12/45/916621245.db2.gz YSZBSZOEBGBTOP-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001485255369 916726093 /nfs/dbraw/zinc/72/60/93/916726093.db2.gz FUBBHYHYGMZMON-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001568207544 1169177928 /nfs/dbraw/zinc/17/79/28/1169177928.db2.gz BXBVEQRRXNLLMK-CVEARBPZSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485747291 917252552 /nfs/dbraw/zinc/25/25/52/917252552.db2.gz APHXZIHVUYSVDP-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272782296 919270570 /nfs/dbraw/zinc/27/05/70/919270570.db2.gz NFFQQUVBOWBXNR-YNEHKIRRSA-N 2 0 287.835 1.564 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001485916842 920573735 /nfs/dbraw/zinc/57/37/35/920573735.db2.gz YVTUNILLJLFTTK-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486178405 920781556 /nfs/dbraw/zinc/78/15/56/920781556.db2.gz CRMHQLWWZXBZCU-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001568321247 1169243285 /nfs/dbraw/zinc/24/32/85/1169243285.db2.gz XLTOGMBDNWRINU-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001649441744 1169254193 /nfs/dbraw/zinc/25/41/93/1169254193.db2.gz NYSKAVWBHMHXAN-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001491179526 936869643 /nfs/dbraw/zinc/86/96/43/936869643.db2.gz LDABWXRTBGTADM-AWEZNQCLSA-N 2 0 277.412 1.096 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001568464446 1169300540 /nfs/dbraw/zinc/30/05/40/1169300540.db2.gz WKTVNDVAZPXHAX-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001274153732 931206118 /nfs/dbraw/zinc/20/61/18/931206118.db2.gz MHYKPMAKEVAMDR-MOEXGYKKSA-N 2 0 291.439 1.392 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568532682 1169351791 /nfs/dbraw/zinc/35/17/91/1169351791.db2.gz HVASTEUTGCHBSZ-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001274367331 931494215 /nfs/dbraw/zinc/49/42/15/931494215.db2.gz AUEIMYMGHCEANT-BQYQJAHWSA-N 2 0 281.444 1.802 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001494856234 932141473 /nfs/dbraw/zinc/14/14/73/932141473.db2.gz RTCASAOPSRDABI-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001276147681 932567433 /nfs/dbraw/zinc/56/74/33/932567433.db2.gz TWMVBXLARSXUSX-HOTGVXAUSA-N 2 0 295.471 1.669 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001277093102 941942538 /nfs/dbraw/zinc/94/25/38/941942538.db2.gz YRGHBUBXKDTYQX-WKILWMFISA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001282392241 942704848 /nfs/dbraw/zinc/70/48/48/942704848.db2.gz YAYVWBYCGJUQMR-SOUVJXGZSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001282717810 942744154 /nfs/dbraw/zinc/74/41/54/942744154.db2.gz UWVKMSOXWJPTDC-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC ZINC001264062988 944072482 /nfs/dbraw/zinc/07/24/82/944072482.db2.gz WWEVOGOEVWATJC-LSDHHAIUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001265435821 944387970 /nfs/dbraw/zinc/38/79/70/944387970.db2.gz UPTBUSZBEZAXHZ-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001265869754 944549301 /nfs/dbraw/zinc/54/93/01/944549301.db2.gz BCGORFSIYQWUIP-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265964048 944603354 /nfs/dbraw/zinc/60/33/54/944603354.db2.gz PTGVDYNYYMFFMX-ZIAGYGMSSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001266222098 944769958 /nfs/dbraw/zinc/76/99/58/944769958.db2.gz NPURXNCHXRFBCN-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001479969024 971516540 /nfs/dbraw/zinc/51/65/40/971516540.db2.gz RGEZTOFDPKKRKI-HUUCEWRRSA-N 2 0 291.439 1.627 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001480233385 971640421 /nfs/dbraw/zinc/64/04/21/971640421.db2.gz ZBDUGYLRFGSGDV-JONQDZQNSA-N 2 0 291.439 1.367 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480255210 971649440 /nfs/dbraw/zinc/64/94/40/971649440.db2.gz RNVORGAJDWWNBQ-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001480479857 971748430 /nfs/dbraw/zinc/74/84/30/971748430.db2.gz NIADPYBPTPKRNI-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CCC)CC1 ZINC001324439987 953388363 /nfs/dbraw/zinc/38/83/63/953388363.db2.gz OKZBLQNKCPCINL-MRXNPFEDSA-N 2 0 293.455 1.663 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2ccnc2C)C1 ZINC001325465020 953914844 /nfs/dbraw/zinc/91/48/44/953914844.db2.gz DTJCARFACPZZFC-HIFRSBDPSA-N 2 0 290.411 1.594 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001328414349 955289538 /nfs/dbraw/zinc/28/95/38/955289538.db2.gz NYSKAVWBHMHXAN-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001493998119 972157253 /nfs/dbraw/zinc/15/72/53/972157253.db2.gz UFLUCZQHRUBJOO-ZIAGYGMSSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCN1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001330087433 956270969 /nfs/dbraw/zinc/27/09/69/956270969.db2.gz YZOVUAUFADWFIO-GOEBONIOSA-N 2 0 291.439 1.177 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480680851 956505028 /nfs/dbraw/zinc/50/50/28/956505028.db2.gz QIBWOKDHCHCSMB-CVEARBPZSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001330978230 956737928 /nfs/dbraw/zinc/73/79/28/956737928.db2.gz YLIDAWFZOHBLEU-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001317011973 956924800 /nfs/dbraw/zinc/92/48/00/956924800.db2.gz FSSOKVGEQPLEHI-HZPDHXFCSA-N 2 0 293.455 1.920 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001317092682 957264722 /nfs/dbraw/zinc/26/47/22/957264722.db2.gz FXYIVLTYXNMLTQ-BZUAXINKSA-N 2 0 285.391 1.159 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317153402 957309200 /nfs/dbraw/zinc/30/92/00/957309200.db2.gz QKEWGEHOUYJXEY-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317194292 957336026 /nfs/dbraw/zinc/33/60/26/957336026.db2.gz WYZXCFPZGGEICF-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001317256573 957384331 /nfs/dbraw/zinc/38/43/31/957384331.db2.gz CKBDNBKGZAODNP-CYBMUJFWSA-N 2 0 265.401 1.285 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317339976 957429340 /nfs/dbraw/zinc/42/93/40/957429340.db2.gz PNOPLIMSAVZZER-HNNXBMFYSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001317381723 957443348 /nfs/dbraw/zinc/44/33/48/957443348.db2.gz BVDKOMSIWLVIAS-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001317524739 957529725 /nfs/dbraw/zinc/52/97/25/957529725.db2.gz BMHYJTPRFUMMAK-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC001332399837 957547770 /nfs/dbraw/zinc/54/77/70/957547770.db2.gz VHGSUOSCXIAICO-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001332928372 957951871 /nfs/dbraw/zinc/95/18/71/957951871.db2.gz HXHZAPZPQZUYHQ-CQSZACIVSA-N 2 0 274.368 1.173 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001318991687 958331244 /nfs/dbraw/zinc/33/12/44/958331244.db2.gz YVPGROYPFUBTKV-RHSMWYFYSA-N 2 0 299.418 1.366 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001319353769 958516532 /nfs/dbraw/zinc/51/65/32/958516532.db2.gz TUDFDUCMGCPLKN-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC001319378277 958525208 /nfs/dbraw/zinc/52/52/08/958525208.db2.gz ZULBPIJPCDHILF-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001320033776 958889018 /nfs/dbraw/zinc/88/90/18/958889018.db2.gz DLBUKOCVADDEKE-HNNXBMFYSA-N 2 0 279.428 1.132 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001320544868 959230026 /nfs/dbraw/zinc/23/00/26/959230026.db2.gz VGXZPDJVWWWBIF-QWHCGFSZSA-N 2 0 255.406 1.243 10 30 CDEERP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001322194319 960125929 /nfs/dbraw/zinc/12/59/29/960125929.db2.gz RBIQUUONOHBXNV-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001323165470 960492576 /nfs/dbraw/zinc/49/25/76/960492576.db2.gz ZZBDLOLXSPJYGF-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001324176271 961215453 /nfs/dbraw/zinc/21/54/53/961215453.db2.gz SNPFDCAFDNOASU-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001324213337 961239718 /nfs/dbraw/zinc/23/97/18/961239718.db2.gz MUJLIBUICYNQDP-JYJNAYRXSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001324336549 961313187 /nfs/dbraw/zinc/31/31/87/961313187.db2.gz ZGMFFRCQXITQQK-OAHLLOKOSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001496127652 972807522 /nfs/dbraw/zinc/80/75/22/972807522.db2.gz JRKMINCVBQQEPQ-OAHLLOKOSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001496603484 972984796 /nfs/dbraw/zinc/98/47/96/972984796.db2.gz SGORHQJWTSABSQ-ZIAGYGMSSA-N 2 0 267.417 1.245 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497242382 973257806 /nfs/dbraw/zinc/25/78/06/973257806.db2.gz WYNJLIQBVQMZIR-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001498022791 973627602 /nfs/dbraw/zinc/62/76/02/973627602.db2.gz WXWYWXTZZGMKRY-DOTOQJQBSA-N 2 0 299.418 1.227 10 30 CDEERP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499613490 974274303 /nfs/dbraw/zinc/27/43/03/974274303.db2.gz DUFSVYYTLCKTMI-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500402776 974432317 /nfs/dbraw/zinc/43/23/17/974432317.db2.gz ZPUCBQCZXMPWNE-NVXWUHKLSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001376957613 974830160 /nfs/dbraw/zinc/83/01/60/974830160.db2.gz XYQXYNPPXXFGRK-CHWSQXEVSA-N 2 0 287.835 1.517 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001505693869 974966923 /nfs/dbraw/zinc/96/69/23/974966923.db2.gz GMKZADXTJYWBMS-UONOGXRCSA-N 2 0 281.444 1.470 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001505922315 975043763 /nfs/dbraw/zinc/04/37/63/975043763.db2.gz LTPLTVYAUUYUNJ-HZSPNIEDSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001404513339 975411011 /nfs/dbraw/zinc/41/10/11/975411011.db2.gz KQVAENVEVZURMO-CYBMUJFWSA-N 2 0 287.835 1.519 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001378858430 975521005 /nfs/dbraw/zinc/52/10/05/975521005.db2.gz OSINEVYOLODWIT-LBPRGKRZSA-N 2 0 275.824 1.516 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001398946122 976263413 /nfs/dbraw/zinc/26/34/13/976263413.db2.gz FOQYVZXKYDOSMR-STQMWFEESA-N 2 0 287.835 1.708 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001381432450 976822729 /nfs/dbraw/zinc/82/27/29/976822729.db2.gz GKQVOXFWNTUPDZ-NEPJUHHUSA-N 2 0 275.824 1.564 10 30 CDEERP CC#CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001492816497 977650117 /nfs/dbraw/zinc/65/01/17/977650117.db2.gz HZUXZVJWYFGSSR-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001394380198 978145492 /nfs/dbraw/zinc/14/54/92/978145492.db2.gz HDGIBCMPKAXHNJ-JOCQHMNTSA-N 2 0 285.819 1.319 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001674749438 1174002889 /nfs/dbraw/zinc/00/28/89/1174002889.db2.gz ZFKNSWOLWBCAQA-GJZGRUSLSA-N 2 0 293.455 1.613 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001675349523 1174104251 /nfs/dbraw/zinc/10/42/51/1174104251.db2.gz UUURSMLZRBAKOO-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001676783282 1174271347 /nfs/dbraw/zinc/27/13/47/1174271347.db2.gz KPDPBJADLOUXLI-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001570197973 1170110070 /nfs/dbraw/zinc/11/00/70/1170110070.db2.gz YHBYNQZRJHTJOU-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001571003082 1170329132 /nfs/dbraw/zinc/32/91/32/1170329132.db2.gz WXZCSGBIRNNRFA-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594437658 342905937 /nfs/dbraw/zinc/90/59/37/342905937.db2.gz XAPTWPLTPJIUTI-DZGCQCFKSA-N 2 0 294.443 1.586 10 30 CDEERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CCCCC#N)C[C@H]1C ZINC000594440095 342907081 /nfs/dbraw/zinc/90/70/81/342907081.db2.gz ZKSLXUYXQKWTSU-QLFBSQMISA-N 2 0 294.443 1.729 10 30 CDEERP CCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594440595 342907168 /nfs/dbraw/zinc/90/71/68/342907168.db2.gz GTMVHXJZLHPMHV-CQSZACIVSA-N 2 0 280.416 1.388 10 30 CDEERP C[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)C[NH+]1CCCC1 ZINC000600717258 342244234 /nfs/dbraw/zinc/24/42/34/342244234.db2.gz PRSJHSATCZAQQN-KGLIPLIRSA-N 2 0 265.401 1.363 10 30 CDEERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594425156 342904277 /nfs/dbraw/zinc/90/42/77/342904277.db2.gz KDWKYKXQVHOKGI-RWMBFGLXSA-N 2 0 266.389 1.126 10 30 CDEERP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594924164 342988656 /nfs/dbraw/zinc/98/86/56/342988656.db2.gz WVJUQVCKMZQYAG-UHFFFAOYSA-N 2 0 299.418 1.788 10 30 CDEERP N#Cc1cccc(C2([NH2+]CCC[NH3+])CCOCC2)c1 ZINC000595910755 343189969 /nfs/dbraw/zinc/18/99/69/343189969.db2.gz RFMAEPWWTHXFLD-UHFFFAOYSA-N 2 0 259.353 1.502 10 30 CDEERP CC(C)(Cc1ccc(Cl)cc1)NC(=[NH2+])NC(N)=[NH2+] ZINC000224500328 347216435 /nfs/dbraw/zinc/21/64/35/347216435.db2.gz LWUCBOIWFXNMEY-UHFFFAOYSA-N 2 0 267.764 1.249 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001660190138 1172174346 /nfs/dbraw/zinc/17/43/46/1172174346.db2.gz IWPKGHITQUAHED-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)C1 ZINC000087823723 361639558 /nfs/dbraw/zinc/63/95/58/361639558.db2.gz FIYFICGDBDEJJQ-AWEZNQCLSA-N 2 0 273.380 1.998 10 30 CDEERP CN1CC[NH+]=C1NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000262675035 370448471 /nfs/dbraw/zinc/44/84/71/370448471.db2.gz STQOAVNINIOTSQ-QGZVFWFLSA-N 2 0 286.423 1.932 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001661843036 1172455208 /nfs/dbraw/zinc/45/52/08/1172455208.db2.gz YTICFUHPMMKZEL-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001662426496 1172548746 /nfs/dbraw/zinc/54/87/46/1172548746.db2.gz YIDMFAAICKMGNR-HNNXBMFYSA-N 2 0 281.444 1.923 10 30 CDEERP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1sccc1C#CC[NH3+] ZINC000043684123 175093260 /nfs/dbraw/zinc/09/32/60/175093260.db2.gz XYCDUAUTKOWBNX-DGCLKSJQSA-N 2 0 291.420 1.144 10 30 CDEERP CN(Cc1ccccc1C#CC[NH3+])C[C@H]1CC[N@H+](C)C1 ZINC000071190473 176066742 /nfs/dbraw/zinc/06/67/42/176066742.db2.gz JIKYKRVOAUFTLM-HNNXBMFYSA-N 2 0 271.408 1.380 10 30 CDEERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(C#CC[NH3+])s1 ZINC000071192982 176074722 /nfs/dbraw/zinc/07/47/22/176074722.db2.gz YTQLIZKFZGZWSW-GFCCVEGCSA-N 2 0 291.420 1.082 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001665866860 1173076169 /nfs/dbraw/zinc/07/61/69/1173076169.db2.gz LRENAWUZERDXBW-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001666298026 1173124562 /nfs/dbraw/zinc/12/45/62/1173124562.db2.gz GPQLGJMSEQFWJL-RBSFLKMASA-N 2 0 279.428 1.674 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001666368452 1173129544 /nfs/dbraw/zinc/12/95/44/1173129544.db2.gz ZMYRYIICSPXUCH-INIZCTEOSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCOc1ccccc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000415145651 263278031 /nfs/dbraw/zinc/27/80/31/263278031.db2.gz WWWHAASEIGYMPB-UHFFFAOYSA-N 2 0 276.380 1.537 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001667492795 1173275223 /nfs/dbraw/zinc/27/52/23/1173275223.db2.gz DDNBDPQPFBZBPV-CABCVRRESA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001669446366 1173551237 /nfs/dbraw/zinc/55/12/37/1173551237.db2.gz GPDSPOMOGQTZJS-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCN(C(=O)CC[N@@H+](C)CCC)C1CC[NH+](CC)CC1 ZINC001671504016 1173685078 /nfs/dbraw/zinc/68/50/78/1173685078.db2.gz KSTFPAYEILHOLF-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001267510722 1159422458 /nfs/dbraw/zinc/42/24/58/1159422458.db2.gz ABCRABJPIMMOJA-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268459110 1159946998 /nfs/dbraw/zinc/94/69/98/1159946998.db2.gz NTGUZIYJWVZJOK-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483155875 1160774902 /nfs/dbraw/zinc/77/49/02/1160774902.db2.gz GLDOBXPWKKMJOT-GFCCVEGCSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001713362295 1178521301 /nfs/dbraw/zinc/52/13/01/1178521301.db2.gz VZIWCIUSECXUBF-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001486440055 1161456084 /nfs/dbraw/zinc/45/60/84/1161456084.db2.gz XYEGPAFAUCVYGM-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001716497609 1180254056 /nfs/dbraw/zinc/25/40/56/1180254056.db2.gz MQZHAZHMCQRIQI-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001689329953 1175146064 /nfs/dbraw/zinc/14/60/64/1175146064.db2.gz XVOOTBDPVRCLKX-ILXRZTDVSA-N 2 0 281.444 1.872 10 30 CDEERP C#CCN1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690051868 1175357719 /nfs/dbraw/zinc/35/77/19/1175357719.db2.gz YHDMUPFDQDPYFH-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CC)CC2)CC1 ZINC000940471924 613128327 /nfs/dbraw/zinc/12/83/27/613128327.db2.gz BLPOPFBPSXTQNR-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000925769883 617628361 /nfs/dbraw/zinc/62/83/61/617628361.db2.gz GQSCAWBWIJLXRG-JSGCOSHPSA-N 2 0 263.385 1.826 10 30 CDEERP C=CCC[C@H]([NH2+]CCN1CCC([NH3+])CC1)C1CC1 ZINC000925816181 617771341 /nfs/dbraw/zinc/77/13/41/617771341.db2.gz WIEUDEBQKZWTCS-HNNXBMFYSA-N 2 0 251.418 1.744 10 30 CDEERP C[C@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)N1CC[NH+](C)CC1 ZINC000902793614 625410190 /nfs/dbraw/zinc/41/01/90/625410190.db2.gz LCPDNQMFIXUOGK-ZIAGYGMSSA-N 2 0 287.411 1.240 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000900002203 622616628 /nfs/dbraw/zinc/61/66/28/622616628.db2.gz NWVKVEOLMUCTPX-UHFFFAOYSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](CC)CC1 ZINC000900010196 622630881 /nfs/dbraw/zinc/63/08/81/622630881.db2.gz UPUVBDDPPYFHFJ-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000900410424 623016036 /nfs/dbraw/zinc/01/60/36/623016036.db2.gz TZZZRMOUESFREP-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000900823060 623527186 /nfs/dbraw/zinc/52/71/86/623527186.db2.gz SIOJMCDXMIPSTJ-CABCVRRESA-N 2 0 281.444 1.683 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000900823398 623528406 /nfs/dbraw/zinc/52/84/06/623528406.db2.gz VAHQLROUDNVROH-KBPBESRZSA-N 2 0 267.417 1.293 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000900824980 623533575 /nfs/dbraw/zinc/53/35/75/623533575.db2.gz QHUYIVVYUYRLHS-UONOGXRCSA-N 2 0 267.417 1.435 10 30 CDEERP C=CCN1CC[C@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000903915023 626134555 /nfs/dbraw/zinc/13/45/55/626134555.db2.gz XLUIKOOUTZBUCT-DKUMPPAJSA-N 2 0 277.412 1.236 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000907878882 627874988 /nfs/dbraw/zinc/87/49/88/627874988.db2.gz WKRHZFIOARCOBP-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001772513976 1158529363 /nfs/dbraw/zinc/52/93/63/1158529363.db2.gz AKWLAQYVSZUXSO-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814897342 684788630 /nfs/dbraw/zinc/78/86/30/684788630.db2.gz HWGAXLHDNPDRKA-LLVKDONJSA-N 2 0 285.395 1.036 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000876729335 684897861 /nfs/dbraw/zinc/89/78/61/684897861.db2.gz KMTCAKUYQWNCNF-CHWSQXEVSA-N 2 0 285.819 1.543 10 30 CDEERP C#CC[N@H+](C)CCCNc1nc(N)[nH+]c2c1CCCC2 ZINC000826109176 684987829 /nfs/dbraw/zinc/98/78/29/684987829.db2.gz UELBKNZNOBUSJN-UHFFFAOYSA-N 2 0 273.384 1.305 10 30 CDEERP CCC[NH+]1CCC(N(C)C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852861148 685200525 /nfs/dbraw/zinc/20/05/25/685200525.db2.gz PMASAIDXQRAGHB-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876518715 685810088 /nfs/dbraw/zinc/81/00/88/685810088.db2.gz WZVDBXBBZQNDDY-ZDUSSCGKSA-N 2 0 281.787 1.274 10 30 CDEERP C[NH+]=C(NCc1ccoc1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000245644620 686886744 /nfs/dbraw/zinc/88/67/44/686886744.db2.gz SZAWOBQDFZBKJY-GXTWGEPZSA-N 2 0 278.400 1.673 10 30 CDEERP C#CCC1([NH2+]C[C@H](O)C[N@@H+](C)CC)CCCCC1 ZINC000933265109 686929095 /nfs/dbraw/zinc/92/90/95/686929095.db2.gz ATPMVLZPOPOMIS-AWEZNQCLSA-N 2 0 252.402 1.615 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000876956173 687149785 /nfs/dbraw/zinc/14/97/85/687149785.db2.gz FRXXAPAACHQDQM-KBPBESRZSA-N 2 0 299.846 1.695 10 30 CDEERP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001691409399 1159057878 /nfs/dbraw/zinc/05/78/78/1159057878.db2.gz DGPQBWNXJSCQKO-KGLIPLIRSA-N 2 0 265.401 1.047 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001691417033 1159064584 /nfs/dbraw/zinc/06/45/84/1159064584.db2.gz SRYIICZVRZGPCS-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001670544488 1158633965 /nfs/dbraw/zinc/63/39/65/1158633965.db2.gz MDRNIRCHFQXMTL-GDBMZVCRSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001267142761 1159136033 /nfs/dbraw/zinc/13/60/33/1159136033.db2.gz VYMRNXUBIOQDSM-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000876809621 1165921051 /nfs/dbraw/zinc/92/10/51/1165921051.db2.gz VPPTWKRZWQGTMZ-NSHDSACASA-N 2 0 253.733 1.554 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001566953126 1168478233 /nfs/dbraw/zinc/47/82/33/1168478233.db2.gz UEAOLTYRZCVULA-AWEZNQCLSA-N 2 0 265.401 1.239 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001567218235 1168625577 /nfs/dbraw/zinc/62/55/77/1168625577.db2.gz GUAFGSKKMKDTLW-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001567738111 1168943335 /nfs/dbraw/zinc/94/33/35/1168943335.db2.gz MJSIVVWCQVFZLV-HNNXBMFYSA-N 2 0 293.455 1.378 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001567884354 1169040443 /nfs/dbraw/zinc/04/04/43/1169040443.db2.gz FEKYFZFDVXMOST-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001568858146 1169522185 /nfs/dbraw/zinc/52/21/85/1169522185.db2.gz IQPKBPDQQWBRJL-IDTUSYRASA-N 2 0 277.412 1.146 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001569565910 1169926029 /nfs/dbraw/zinc/92/60/29/1169926029.db2.gz HCCJBKOKYUYFME-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CC=C)CC1 ZINC001569596003 1169932975 /nfs/dbraw/zinc/93/29/75/1169932975.db2.gz KCORTCLOZGQVBK-UHFFFAOYSA-N 2 0 289.423 1.194 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001570540807 1170183002 /nfs/dbraw/zinc/18/30/02/1170183002.db2.gz TURXSQATRTXMPL-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001571117945 1170337951 /nfs/dbraw/zinc/33/79/51/1170337951.db2.gz MIFMVDJZCOECIT-BZUAXINKSA-N 2 0 291.439 1.367 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001571486358 1170450593 /nfs/dbraw/zinc/45/05/93/1170450593.db2.gz CWJQBNFILUAHDI-KBPBESRZSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCC)CC1 ZINC001571419556 1170420557 /nfs/dbraw/zinc/42/05/57/1170420557.db2.gz UCVWJYNVANAGKU-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)(C)C ZINC001571624920 1170500808 /nfs/dbraw/zinc/50/08/08/1170500808.db2.gz SMSKHDBMNXYKSX-LSDHHAIUSA-N 2 0 293.455 1.613 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001662642133 1172573750 /nfs/dbraw/zinc/57/37/50/1172573750.db2.gz ZWYNZWMCWLERMI-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001663257786 1172662400 /nfs/dbraw/zinc/66/24/00/1172662400.db2.gz GWRKVERJUCZEED-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001663317247 1172671944 /nfs/dbraw/zinc/67/19/44/1172671944.db2.gz DNALNZJMJOQJHF-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001666173092 1173116338 /nfs/dbraw/zinc/11/63/38/1173116338.db2.gz QMRAWOPWCCACMN-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)CC1CC[NH+](C)CC1 ZINC001668575941 1173429577 /nfs/dbraw/zinc/42/95/77/1173429577.db2.gz XLFLFVGVAIZHFI-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001668898904 1173477236 /nfs/dbraw/zinc/47/72/36/1173477236.db2.gz DKQHDLYJNHANRK-PLNGDYQASA-N 2 0 284.363 1.704 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001690370440 1175451533 /nfs/dbraw/zinc/45/15/33/1175451533.db2.gz VSZHBFVPVZMYIE-OWCLPIDISA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001690842898 1175587751 /nfs/dbraw/zinc/58/77/51/1175587751.db2.gz GNWQYESIFNNETG-KGLIPLIRSA-N 2 0 267.417 1.530 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001691861206 1175637603 /nfs/dbraw/zinc/63/76/03/1175637603.db2.gz RYEAUXUIABSHAI-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001692249561 1175715199 /nfs/dbraw/zinc/71/51/99/1175715199.db2.gz VRZGIHLUUHFFFY-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001698605209 1175869273 /nfs/dbraw/zinc/86/92/73/1175869273.db2.gz UKEBBGGDKOKMJJ-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001698709098 1175900654 /nfs/dbraw/zinc/90/06/54/1175900654.db2.gz ANBANSFPRUCZCI-JYJNAYRXSA-N 2 0 291.439 1.511 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001699187415 1176131806 /nfs/dbraw/zinc/13/18/06/1176131806.db2.gz PZOTXYFRELDMNV-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699313264 1176213855 /nfs/dbraw/zinc/21/38/55/1176213855.db2.gz BACDJMRLTZLKRG-WNEUIUNWSA-N 2 0 291.439 1.841 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699422018 1176385288 /nfs/dbraw/zinc/38/52/88/1176385288.db2.gz VSHPQPLIPCHOBL-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)CC[N@@H+](C)CC)C1CCCC1 ZINC001699802250 1176626465 /nfs/dbraw/zinc/62/64/65/1176626465.db2.gz WUNGHIQQOSSKNH-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001700016770 1176720324 /nfs/dbraw/zinc/72/03/24/1176720324.db2.gz KWEPRPPGOHPTAI-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001700520621 1176992896 /nfs/dbraw/zinc/99/28/96/1176992896.db2.gz HDJNOVMMMKGQOC-UHFFFAOYSA-N 2 0 291.439 1.514 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001700770640 1177124479 /nfs/dbraw/zinc/12/44/79/1177124479.db2.gz OZTPVDQEXZXSTO-AWEZNQCLSA-N 2 0 281.444 1.424 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001700901286 1177189214 /nfs/dbraw/zinc/18/92/14/1177189214.db2.gz KNSJYLOLEQEUDS-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001713221904 1178440488 /nfs/dbraw/zinc/44/04/88/1178440488.db2.gz SXZJKUVDVSLWHS-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001713255149 1178455589 /nfs/dbraw/zinc/45/55/89/1178455589.db2.gz GLKJSQNDDWQJAN-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]C1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001713291677 1178470060 /nfs/dbraw/zinc/47/00/60/1178470060.db2.gz UKUJCBUZYZRALC-UHFFFAOYSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001713330871 1178500706 /nfs/dbraw/zinc/50/07/06/1178500706.db2.gz FOKHSHPRWBZEMZ-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713379951 1178529238 /nfs/dbraw/zinc/52/92/38/1178529238.db2.gz YBWWQLZDAHHJLU-CABCVRRESA-N 2 0 293.455 1.615 10 30 CDEERP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713397207 1178536474 /nfs/dbraw/zinc/53/64/74/1178536474.db2.gz LFYPSSUUIJCDLM-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001713436038 1178560018 /nfs/dbraw/zinc/56/00/18/1178560018.db2.gz CSPBZGVKGPAAJW-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001713486918 1178601078 /nfs/dbraw/zinc/60/10/78/1178601078.db2.gz ZZDHSKVKHDAVJL-CHWSQXEVSA-N 2 0 276.384 1.527 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713738969 1178731407 /nfs/dbraw/zinc/73/14/07/1178731407.db2.gz NFBMIRXHLOKDKG-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001713853180 1178794157 /nfs/dbraw/zinc/79/41/57/1178794157.db2.gz DLGIBBPQTLBCPG-INIZCTEOSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001714004859 1178923262 /nfs/dbraw/zinc/92/32/62/1178923262.db2.gz XGLABXCGLQNAEO-ZIAGYGMSSA-N 2 0 285.407 1.385 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714075717 1178961181 /nfs/dbraw/zinc/96/11/81/1178961181.db2.gz ZHBWULRQJPGJJR-LSDHHAIUSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001714108474 1178978047 /nfs/dbraw/zinc/97/80/47/1178978047.db2.gz PTSOPXCJOQTCNM-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1ccnc1 ZINC001714114870 1178978905 /nfs/dbraw/zinc/97/89/05/1178978905.db2.gz ODBDWFVJFWRCAZ-LSDHHAIUSA-N 2 0 290.411 1.991 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001714351961 1179101384 /nfs/dbraw/zinc/10/13/84/1179101384.db2.gz WZLRANMPTBMIQO-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001714367814 1179107006 /nfs/dbraw/zinc/10/70/06/1179107006.db2.gz TYHOJVZWVASAGK-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001714455729 1179146225 /nfs/dbraw/zinc/14/62/25/1179146225.db2.gz ZIAGGBPTRIMARG-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001714666647 1179311555 /nfs/dbraw/zinc/31/15/55/1179311555.db2.gz CYOMROACOHWLSR-UHFFFAOYSA-N 2 0 289.423 1.219 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001714798257 1179402217 /nfs/dbraw/zinc/40/22/17/1179402217.db2.gz HXYJRCGWCUNCEX-AWEZNQCLSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001714862053 1179424865 /nfs/dbraw/zinc/42/48/65/1179424865.db2.gz FTGRLPRDYIIGFF-HZPDHXFCSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[N@@H+](C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001714912821 1179448158 /nfs/dbraw/zinc/44/81/58/1179448158.db2.gz PWWZXWXMKACIPR-UHFFFAOYSA-N 2 0 279.428 1.132 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001714928033 1179457166 /nfs/dbraw/zinc/45/71/66/1179457166.db2.gz PAKGFEBKPBIXIU-MRXNPFEDSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001715033495 1179518938 /nfs/dbraw/zinc/51/89/38/1179518938.db2.gz XMUFUSAFMRILOW-JKSUJKDBSA-N 2 0 293.455 1.826 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)C[NH+]1CCCC1 ZINC001715080084 1179543005 /nfs/dbraw/zinc/54/30/05/1179543005.db2.gz OHMBFKGGAKGYPA-AWEZNQCLSA-N 2 0 267.417 1.533 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001715257387 1179598789 /nfs/dbraw/zinc/59/87/89/1179598789.db2.gz OJNJGUQOGKJOSU-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001716636155 1180316822 /nfs/dbraw/zinc/31/68/22/1180316822.db2.gz IBFBGRRNVRZOBL-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001716872991 1180449450 /nfs/dbraw/zinc/44/94/50/1180449450.db2.gz LVXQNJXWZSZIDF-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001716901014 1180458115 /nfs/dbraw/zinc/45/81/15/1180458115.db2.gz ZDNAVCGWNZUCMK-MRXNPFEDSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001717811176 1180870789 /nfs/dbraw/zinc/87/07/89/1180870789.db2.gz BVKHURSRSAYIOO-ZIAGYGMSSA-N 2 0 277.412 1.073 10 30 CDEERP CC#CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001717843182 1180889467 /nfs/dbraw/zinc/88/94/67/1180889467.db2.gz WHOPXAFJRGGZHG-NVXWUHKLSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001723581559 1181589519 /nfs/dbraw/zinc/58/95/19/1181589519.db2.gz QOQNISQIYANWIP-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001724556358 1181695166 /nfs/dbraw/zinc/69/51/66/1181695166.db2.gz XRVKZELHAWGRAY-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[N@@H+](C)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001725426014 1181995471 /nfs/dbraw/zinc/99/54/71/1181995471.db2.gz SHEMWVOHWXAVCA-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001725494878 1182023167 /nfs/dbraw/zinc/02/31/67/1182023167.db2.gz JWORLTLCASKVFR-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001731404804 1182367697 /nfs/dbraw/zinc/36/76/97/1182367697.db2.gz HOHADFGPABBCMQ-HNNXBMFYSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001731665533 1182509886 /nfs/dbraw/zinc/50/98/86/1182509886.db2.gz ZQVRSQSCDHGHQG-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001731857427 1182630714 /nfs/dbraw/zinc/63/07/14/1182630714.db2.gz LRAODVKCXGVOOJ-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001732003034 1182719428 /nfs/dbraw/zinc/71/94/28/1182719428.db2.gz UOPVVLWKSJXQCY-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001732049358 1182740796 /nfs/dbraw/zinc/74/07/96/1182740796.db2.gz QIXMULFILUVUBJ-LSDHHAIUSA-N 2 0 297.418 1.128 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001732437152 1182965110 /nfs/dbraw/zinc/96/51/10/1182965110.db2.gz ADHJEEIDUCKSJA-CYBMUJFWSA-N 2 0 269.433 1.587 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001732502899 1182991076 /nfs/dbraw/zinc/99/10/76/1182991076.db2.gz XKCGNIOGYPGGDB-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001732631730 1183056674 /nfs/dbraw/zinc/05/66/74/1183056674.db2.gz WGOFEMBNXSMLQP-HOTGVXAUSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001733603366 1183477381 /nfs/dbraw/zinc/47/73/81/1183477381.db2.gz NTIWDMRMWPYVKR-HZPDHXFCSA-N 2 0 291.439 1.415 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001733904175 1183563327 /nfs/dbraw/zinc/56/33/27/1183563327.db2.gz ZIUSAHHNKXLSDJ-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001734286982 1183713250 /nfs/dbraw/zinc/71/32/50/1183713250.db2.gz ZRIXCBXTOZGHIP-BZUAXINKSA-N 2 0 293.455 1.470 10 30 CDEERP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001734432247 1183777840 /nfs/dbraw/zinc/77/78/40/1183777840.db2.gz LRIRJAJOBZFULO-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC001734498975 1183800709 /nfs/dbraw/zinc/80/07/09/1183800709.db2.gz AGHHBVKGJTXLOL-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC1(C)C ZINC001734507870 1183803363 /nfs/dbraw/zinc/80/33/63/1183803363.db2.gz LEPFJSYQFHELPY-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH+]1CCC([C@@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001734578301 1183831165 /nfs/dbraw/zinc/83/11/65/1183831165.db2.gz UTVGXJRIDRMROH-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001671089978 1164416298 /nfs/dbraw/zinc/41/62/98/1164416298.db2.gz FSOCNSHWQIMETB-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001566756655 1168409570 /nfs/dbraw/zinc/40/95/70/1168409570.db2.gz TYRZBGDXVZPTQZ-IYBDPMFKSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001566877463 1168453241 /nfs/dbraw/zinc/45/32/41/1168453241.db2.gz YKQCNKKCRISUMN-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567167408 1168603827 /nfs/dbraw/zinc/60/38/27/1168603827.db2.gz OHKXTFQDLCBULO-HUUCEWRRSA-N 2 0 291.439 1.511 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001567336069 1168689344 /nfs/dbraw/zinc/68/93/44/1168689344.db2.gz QGWNVNPMYARRIW-UHFFFAOYSA-N 2 0 291.439 1.324 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001567402172 1168736657 /nfs/dbraw/zinc/73/66/57/1168736657.db2.gz DDSSTPSLJOREPZ-LSDHHAIUSA-N 2 0 297.418 1.128 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567404137 1168738724 /nfs/dbraw/zinc/73/87/24/1168738724.db2.gz UWBDRYUXDCGYPP-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001567442022 1168763535 /nfs/dbraw/zinc/76/35/35/1168763535.db2.gz FFTZEWNTEQXJEK-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266361731 894566633 /nfs/dbraw/zinc/56/66/33/894566633.db2.gz REVAWBXMQRSQDU-AWEZNQCLSA-N 2 0 265.401 1.239 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001266398823 894698642 /nfs/dbraw/zinc/69/86/42/894698642.db2.gz DQJIKEIQZLYWQD-UHFFFAOYSA-N 2 0 298.390 1.718 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001266533488 895255142 /nfs/dbraw/zinc/25/51/42/895255142.db2.gz KQHMPDBDYOVTKV-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001266743387 895955984 /nfs/dbraw/zinc/95/59/84/895955984.db2.gz GVPOKXGXPOVWQW-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266770422 896012694 /nfs/dbraw/zinc/01/26/94/896012694.db2.gz VWOQEKNWCLQQHI-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001267057233 896650136 /nfs/dbraw/zinc/65/01/36/896650136.db2.gz CWSTYWIRTUDZFY-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001267068255 896680756 /nfs/dbraw/zinc/68/07/56/896680756.db2.gz WXAFZZZNWYMPLX-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCCC[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267305421 897541549 /nfs/dbraw/zinc/54/15/49/897541549.db2.gz ADSATQFMNBKYNV-OAHLLOKOSA-N 2 0 291.439 1.487 10 30 CDEERP CC#CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001480995616 898448961 /nfs/dbraw/zinc/44/89/61/898448961.db2.gz XILZZLCBPZDCNV-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001481018827 898504267 /nfs/dbraw/zinc/50/42/67/898504267.db2.gz SHNFVPFAUUYEAM-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001272641791 914291049 /nfs/dbraw/zinc/29/10/49/914291049.db2.gz OORIBDQGBDUIKM-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001267860431 899888371 /nfs/dbraw/zinc/88/83/71/899888371.db2.gz WBYLUQHCQWGBKD-NVXWUHKLSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001267959151 900076004 /nfs/dbraw/zinc/07/60/04/900076004.db2.gz PFLGRUFHBSGICI-OAHLLOKOSA-N 2 0 291.439 1.772 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc3nccn32)C1 ZINC001481490919 900910950 /nfs/dbraw/zinc/91/09/50/900910950.db2.gz LIXHYJIMFRCRTP-CQSZACIVSA-N 2 0 298.390 1.914 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)CCC)C(C)C ZINC001268223867 901599232 /nfs/dbraw/zinc/59/92/32/901599232.db2.gz QSQZGXMWAYNWGT-CQSZACIVSA-N 2 0 267.417 1.082 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268404208 902003550 /nfs/dbraw/zinc/00/35/50/902003550.db2.gz RPKKBDLETWEQPH-HZPDHXFCSA-N 2 0 293.455 1.757 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001481869836 902244746 /nfs/dbraw/zinc/24/47/46/902244746.db2.gz JSOUTCXDQYIDDA-MRXNPFEDSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001268734414 903054418 /nfs/dbraw/zinc/05/44/18/903054418.db2.gz WGRGZWSUOFUJOA-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001268969957 903288018 /nfs/dbraw/zinc/28/80/18/903288018.db2.gz QVYXDYXLFRPUMQ-KKUMJFAQSA-N 2 0 279.428 1.578 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001269246173 903605240 /nfs/dbraw/zinc/60/52/40/903605240.db2.gz SWPNYYBGQKXWKL-MRXNPFEDSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001269958681 904232962 /nfs/dbraw/zinc/23/29/62/904232962.db2.gz IGFBFMRAWQKJFF-GOEBONIOSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001270021841 904280007 /nfs/dbraw/zinc/28/00/07/904280007.db2.gz JHCUILPQNJKSRR-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CCCC)CC1 ZINC001270338385 904542453 /nfs/dbraw/zinc/54/24/53/904542453.db2.gz DRLPATTVHAGEDC-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001270753233 905018933 /nfs/dbraw/zinc/01/89/33/905018933.db2.gz UQPUBXYZCQWPTM-INIZCTEOSA-N 2 0 291.439 1.629 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001271567686 906523987 /nfs/dbraw/zinc/52/39/87/906523987.db2.gz ZXYSTMPQEGTNPO-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001482696953 908292146 /nfs/dbraw/zinc/29/21/46/908292146.db2.gz YMBQAEUOWWIMLZ-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001568034404 1169124364 /nfs/dbraw/zinc/12/43/64/1169124364.db2.gz QQXTWQXJIIIIBW-MRXNPFEDSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483474258 911166906 /nfs/dbraw/zinc/16/69/06/911166906.db2.gz IFSYWGGNWQSRKJ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484346969 915654773 /nfs/dbraw/zinc/65/47/73/915654773.db2.gz LUAOMXVHMRIPLS-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001484382525 915699422 /nfs/dbraw/zinc/69/94/22/915699422.db2.gz IXQOULYIYFFONF-GJZGRUSLSA-N 2 0 281.444 1.588 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCC1 ZINC001484645544 915985107 /nfs/dbraw/zinc/98/51/07/915985107.db2.gz QGRLKGZLLIJOLU-UHFFFAOYSA-N 2 0 277.412 1.123 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001484653653 915997627 /nfs/dbraw/zinc/99/76/27/915997627.db2.gz SVMSYIPKLXKACF-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001485067985 916449540 /nfs/dbraw/zinc/44/95/40/916449540.db2.gz YSVGZUBIIVOJBV-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001485229473 916683042 /nfs/dbraw/zinc/68/30/42/916683042.db2.gz JNDVAKIXHNZXPM-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)C(C)C)CC1 ZINC001485389363 916942521 /nfs/dbraw/zinc/94/25/21/916942521.db2.gz SVRXHWHAPUUDFX-CQSZACIVSA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001485480430 917010066 /nfs/dbraw/zinc/01/00/66/917010066.db2.gz UNRZRVWOFUPYPZ-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485644647 917158967 /nfs/dbraw/zinc/15/89/67/917158967.db2.gz QXIREVOCNDCSHT-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001485685255 917180606 /nfs/dbraw/zinc/18/06/06/917180606.db2.gz NGWCSNOBJNQHTH-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001486420888 920996037 /nfs/dbraw/zinc/99/60/37/920996037.db2.gz ZYHHLTBMFYLMEX-ZIAGYGMSSA-N 2 0 281.444 1.326 10 30 CDEERP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001486483754 921059647 /nfs/dbraw/zinc/05/96/47/921059647.db2.gz QEECWHWLYJJIFW-UHFFFAOYSA-N 2 0 267.417 1.482 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001273053186 921839784 /nfs/dbraw/zinc/83/97/84/921839784.db2.gz VLEWEJSNJNNSAT-CQSZACIVSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001568337948 1169252634 /nfs/dbraw/zinc/25/26/34/1169252634.db2.gz OJEXSMWQLSJDHT-CABCVRRESA-N 2 0 281.444 1.326 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491189236 936870936 /nfs/dbraw/zinc/87/09/36/936870936.db2.gz ZIZZGWQFKOEGIT-CVEARBPZSA-N 2 0 293.455 1.424 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001488948228 926760902 /nfs/dbraw/zinc/76/09/02/926760902.db2.gz NFGLDNGLHCINQA-GOEBONIOSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001490351927 927106708 /nfs/dbraw/zinc/10/67/08/927106708.db2.gz QVSWXKAMARXHMA-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001490379330 927140954 /nfs/dbraw/zinc/14/09/54/927140954.db2.gz KIUYJEYGMMVDRK-UHFFFAOYSA-N 2 0 289.423 1.219 10 30 CDEERP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001490608909 927258572 /nfs/dbraw/zinc/25/85/72/927258572.db2.gz HOZKTKRKGTZIIC-HNNXBMFYSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]21 ZINC001568516607 1169344912 /nfs/dbraw/zinc/34/49/12/1169344912.db2.gz ZOUOITDZJIQANF-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N1CCSCC1 ZINC000104167147 931322398 /nfs/dbraw/zinc/32/23/98/931322398.db2.gz XBVDGRMYFIVCGC-LLVKDONJSA-N 2 0 258.435 1.080 10 30 CDEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001274955427 931618198 /nfs/dbraw/zinc/61/81/98/931618198.db2.gz LCQKLZFWEAEYGX-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001275684929 931955633 /nfs/dbraw/zinc/95/56/33/931955633.db2.gz LNKAYAMTVISNKO-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001275920045 932134127 /nfs/dbraw/zinc/13/41/27/932134127.db2.gz HLVIEXFZEKNNJF-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP CC[N@H+](CCNC(=[NH2+])NCCc1cccs1)C1CC1 ZINC000303991590 935049932 /nfs/dbraw/zinc/04/99/32/935049932.db2.gz ZTHDXUKLXCMEGZ-UHFFFAOYSA-N 2 0 280.441 1.679 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001568699348 1169438019 /nfs/dbraw/zinc/43/80/19/1169438019.db2.gz QGDGYXRGMFOWAL-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001276678767 940663941 /nfs/dbraw/zinc/66/39/41/940663941.db2.gz RHVJWSNJKREEGR-PHZGNYQRSA-N 2 0 291.439 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001276983649 941774188 /nfs/dbraw/zinc/77/41/88/941774188.db2.gz PDDOBGDEHKUPDR-FVQBIDKESA-N 2 0 291.439 1.389 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001277195015 942162106 /nfs/dbraw/zinc/16/21/06/942162106.db2.gz JXGHCJUDRYMQKM-GJZGRUSLSA-N 2 0 289.423 1.265 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001281950374 942634947 /nfs/dbraw/zinc/63/49/47/942634947.db2.gz AEBKOZOEIRHTHK-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)CCc1cncn1C)C(C)C ZINC001283463508 942903066 /nfs/dbraw/zinc/90/30/66/942903066.db2.gz QAGGWKWUWJPHDQ-OAHLLOKOSA-N 2 0 290.411 1.106 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001283912445 943023931 /nfs/dbraw/zinc/02/39/31/943023931.db2.gz BYEABMMQLPCAQO-GOEBONIOSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001284059288 943067068 /nfs/dbraw/zinc/06/70/68/943067068.db2.gz WCKVDZJOFDYGBT-FMKPAKJESA-N 2 0 279.428 1.626 10 30 CDEERP CC#CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001284070979 943068647 /nfs/dbraw/zinc/06/86/47/943068647.db2.gz VTKASSJWSVPCOR-HOCLYGCPSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001284131022 943085168 /nfs/dbraw/zinc/08/51/68/943085168.db2.gz YKXUEJXSOIYGRR-DZGCQCFKSA-N 2 0 279.428 1.626 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263810227 943982073 /nfs/dbraw/zinc/98/20/73/943982073.db2.gz VMEZJTGBOBJBBC-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001263865776 944013661 /nfs/dbraw/zinc/01/36/61/944013661.db2.gz UCXYOENJLPOHPS-KKUMJFAQSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265232770 944290931 /nfs/dbraw/zinc/29/09/31/944290931.db2.gz FRDRYANWKMALNB-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001265674077 944465535 /nfs/dbraw/zinc/46/55/35/944465535.db2.gz RCBNDJBJMJGWOX-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001281767764 944520382 /nfs/dbraw/zinc/52/03/82/944520382.db2.gz AEJZBEWXZHKQBQ-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001266020246 944635334 /nfs/dbraw/zinc/63/53/34/944635334.db2.gz FYEOFCZJGJFVBY-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266070069 944664031 /nfs/dbraw/zinc/66/40/31/944664031.db2.gz MIBHGRPKEKHCKA-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001266169622 944730557 /nfs/dbraw/zinc/73/05/57/944730557.db2.gz DGGQIXSAXHRGLK-ILXRZTDVSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001278310067 945730866 /nfs/dbraw/zinc/73/08/66/945730866.db2.gz YIZBVTKOIPYASI-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)CCC[NH2+]1 ZINC001261643678 946211343 /nfs/dbraw/zinc/21/13/43/946211343.db2.gz ASTZHPNRHKXCNN-ZBFHGGJFSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001479246138 971271704 /nfs/dbraw/zinc/27/17/04/971271704.db2.gz LRFKUIXUHRLZFP-KGLIPLIRSA-N 2 0 267.417 1.435 10 30 CDEERP C=CCC[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001278443871 948139787 /nfs/dbraw/zinc/13/97/87/948139787.db2.gz JTFVVGPSIJPWIZ-OAHLLOKOSA-N 2 0 265.401 1.239 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)C[NH+]1CC[C@H](C)C1)C(C)C ZINC001278918776 948227661 /nfs/dbraw/zinc/22/76/61/948227661.db2.gz VZPAPZZKHTZJEW-INIZCTEOSA-N 2 0 293.455 1.520 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001278988038 948498872 /nfs/dbraw/zinc/49/88/72/948498872.db2.gz AEQMOUMFTOZFBP-AWEZNQCLSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001480046699 971553332 /nfs/dbraw/zinc/55/33/32/971553332.db2.gz LLTMIOCHYBBBJQ-AWEZNQCLSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001480286598 971658812 /nfs/dbraw/zinc/65/88/12/971658812.db2.gz SHWXANJEMJJUAT-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480291306 971660223 /nfs/dbraw/zinc/66/02/23/971660223.db2.gz FYDGPMOHZARRIW-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001569099086 1169644952 /nfs/dbraw/zinc/64/49/52/1169644952.db2.gz PTDPHTNNMZVNII-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001480479854 971747565 /nfs/dbraw/zinc/74/75/65/971747565.db2.gz NIADPYBPTPKRNI-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480663665 971830297 /nfs/dbraw/zinc/83/02/97/971830297.db2.gz KYJLPJCXUYIJRV-HZPDHXFCSA-N 2 0 295.471 1.977 10 30 CDEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001480740548 971856416 /nfs/dbraw/zinc/85/64/16/971856416.db2.gz ZWUPROYXJUCCOX-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH+]1CCC[C@@](C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001324971802 953663623 /nfs/dbraw/zinc/66/36/23/953663623.db2.gz LDJLYAIGPPWYEA-WBVHZDCISA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001325552761 953958793 /nfs/dbraw/zinc/95/87/93/953958793.db2.gz FWQNJANQUXUERZ-KBPBESRZSA-N 2 0 267.417 1.198 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001327164503 954743793 /nfs/dbraw/zinc/74/37/93/954743793.db2.gz UPTHYJSLVLOVFQ-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001491675104 955384033 /nfs/dbraw/zinc/38/40/33/955384033.db2.gz ROWQTGOZWACWRQ-ZDUSSCGKSA-N 2 0 253.390 1.143 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491849717 955466608 /nfs/dbraw/zinc/46/66/08/955466608.db2.gz KYJLPJCXUYIJRV-CVEARBPZSA-N 2 0 295.471 1.977 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001328785820 955476127 /nfs/dbraw/zinc/47/61/27/955476127.db2.gz KMWLRJFCMZMWTC-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001493761008 972110781 /nfs/dbraw/zinc/11/07/81/972110781.db2.gz HTBRZFVCZZVNFZ-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001329164314 955727222 /nfs/dbraw/zinc/72/72/22/955727222.db2.gz CEYMEUDOCOQIGK-KBPBESRZSA-N 2 0 293.455 1.777 10 30 CDEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001329334814 955828987 /nfs/dbraw/zinc/82/89/87/955828987.db2.gz CVAGVLDWALEXFM-HNNXBMFYSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001317267141 956003849 /nfs/dbraw/zinc/00/38/49/956003849.db2.gz VNUSJWWUENKNER-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317384282 956242109 /nfs/dbraw/zinc/24/21/09/956242109.db2.gz VEJKUAGOURHAJU-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494078198 972172519 /nfs/dbraw/zinc/17/25/19/972172519.db2.gz GZKLBJSAIIMDDM-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317487335 956683951 /nfs/dbraw/zinc/68/39/51/956683951.db2.gz LAONMIWLLIHTKV-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001330898043 956692527 /nfs/dbraw/zinc/69/25/27/956692527.db2.gz FEPPWHHHZIHRDT-PMPSAXMXSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001316804278 957031380 /nfs/dbraw/zinc/03/13/80/957031380.db2.gz DTWPPHQMYDSHGG-GJZGRUSLSA-N 2 0 279.428 1.273 10 30 CDEERP C=C(C)C[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001316935133 957134696 /nfs/dbraw/zinc/13/46/96/957134696.db2.gz FWNDGRGNWNAWSA-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001316943238 957141065 /nfs/dbraw/zinc/14/10/65/957141065.db2.gz FACUQQHAGZFCRM-HUUCEWRRSA-N 2 0 299.434 1.823 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001317034232 957217680 /nfs/dbraw/zinc/21/76/80/957217680.db2.gz LPYCVFMJBRTICO-HOTGVXAUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001317092467 957264946 /nfs/dbraw/zinc/26/49/46/957264946.db2.gz BEUSQRRHKMZSNZ-HDJSIYSDSA-N 2 0 276.384 1.476 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317330197 957425128 /nfs/dbraw/zinc/42/51/28/957425128.db2.gz KHFSDIBBDMISBJ-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001317509066 957517818 /nfs/dbraw/zinc/51/78/18/957517818.db2.gz LTZQZBCRBFRKKD-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317533715 957534455 /nfs/dbraw/zinc/53/44/55/957534455.db2.gz WWLFOHYLTZUVHL-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001318976948 958326044 /nfs/dbraw/zinc/32/60/44/958326044.db2.gz SOECFBCJMXYFTP-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001569303434 1169755236 /nfs/dbraw/zinc/75/52/36/1169755236.db2.gz OOVKVUDZWQCOIX-OAHLLOKOSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001494985747 972364871 /nfs/dbraw/zinc/36/48/71/972364871.db2.gz BMNIUVMFVAVZBI-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001494999113 972368340 /nfs/dbraw/zinc/36/83/40/972368340.db2.gz GQRBGTNRVGDRPI-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001319923123 958793460 /nfs/dbraw/zinc/79/34/60/958793460.db2.gz XVPRLJDCLAQXFC-HNNXBMFYSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001320564799 959243998 /nfs/dbraw/zinc/24/39/98/959243998.db2.gz UMUVDTMQOWDBBA-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001322042520 960066318 /nfs/dbraw/zinc/06/63/18/960066318.db2.gz UHIHURJZKHKDGY-QWHCGFSZSA-N 2 0 255.406 1.387 10 30 CDEERP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001322305599 960176286 /nfs/dbraw/zinc/17/62/86/960176286.db2.gz FPAULZLEQMLUNM-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001322591498 960269014 /nfs/dbraw/zinc/26/90/14/960269014.db2.gz JXQFJDPBCYYFFC-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001342646280 963787855 /nfs/dbraw/zinc/78/78/55/963787855.db2.gz RLUUSSMWCFWBGN-XQQFMLRXSA-N 2 0 253.390 1.113 10 30 CDEERP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001569478669 1169892322 /nfs/dbraw/zinc/89/23/22/1169892322.db2.gz MDYVQYKTRNACQQ-KRWDZBQOSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001480283658 967287323 /nfs/dbraw/zinc/28/73/23/967287323.db2.gz MERJJJIWGYPDIO-HUUCEWRRSA-N 2 0 299.434 1.681 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001355450992 969163204 /nfs/dbraw/zinc/16/32/04/969163204.db2.gz DTHMSSIHSJSWTC-CYBMUJFWSA-N 2 0 265.401 1.318 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001467728546 970095727 /nfs/dbraw/zinc/09/57/27/970095727.db2.gz KVKAGJYJDPBVFP-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001371618043 972567632 /nfs/dbraw/zinc/56/76/32/972567632.db2.gz QXUSDNHHCHAKEZ-TZMCWYRMSA-N 2 0 299.846 1.519 10 30 CDEERP C=CCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001569652954 1169953806 /nfs/dbraw/zinc/95/38/06/1169953806.db2.gz CBKZVBZUDILLLD-GDBMZVCRSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001418114247 973594136 /nfs/dbraw/zinc/59/41/36/973594136.db2.gz RXPIYENGPMSOBW-TXEJJXNPSA-N 2 0 273.808 1.316 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001498636374 974005919 /nfs/dbraw/zinc/00/59/19/974005919.db2.gz BYNRDTOXTPVQNR-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001499264545 974225501 /nfs/dbraw/zinc/22/55/01/974225501.db2.gz ZFKVUWXMYSKZGV-GFCCVEGCSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001375765929 974472513 /nfs/dbraw/zinc/47/25/13/974472513.db2.gz JFTLJKPARRSHGW-ZDUSSCGKSA-N 2 0 297.830 1.415 10 30 CDEERP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001505980762 975070285 /nfs/dbraw/zinc/07/02/85/975070285.db2.gz JKMPPQBNMIIQSO-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001506666465 975200250 /nfs/dbraw/zinc/20/02/50/975200250.db2.gz GNRNWKIXOWJVRY-OAHLLOKOSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=C)C)C1 ZINC001506886305 975245893 /nfs/dbraw/zinc/24/58/93/975245893.db2.gz IJLIPJSAKPNCJD-JYJNAYRXSA-N 2 0 289.423 1.145 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001507011395 975294305 /nfs/dbraw/zinc/29/43/05/975294305.db2.gz MLNUPBIGVMYDEN-AWEZNQCLSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001507398295 975451455 /nfs/dbraw/zinc/45/14/55/975451455.db2.gz ISOVOJGKZPEEPE-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001507964237 975571516 /nfs/dbraw/zinc/57/15/16/975571516.db2.gz ZCXUNZLADOXVPE-HUUCEWRRSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001380262113 976318799 /nfs/dbraw/zinc/31/87/99/976318799.db2.gz FFQCRGMMDDEHAQ-MGPQQGTHSA-N 2 0 299.846 1.660 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001381971871 977105866 /nfs/dbraw/zinc/10/58/66/977105866.db2.gz JLXYBBSTBLASDR-JHJVBQTASA-N 2 0 287.835 1.564 10 30 CDEERP CC#CC[NH2+][C@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001675140016 1174079864 /nfs/dbraw/zinc/07/98/64/1174079864.db2.gz LETWIAGIVQRXLD-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001675318398 1174101640 /nfs/dbraw/zinc/10/16/40/1174101640.db2.gz ZWMCZOPVFBKXNB-GOEBONIOSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001675909444 1174164357 /nfs/dbraw/zinc/16/43/57/1174164357.db2.gz IWWIIYPDXBQEID-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001676222806 1174193536 /nfs/dbraw/zinc/19/35/36/1174193536.db2.gz ZUDSBZRSGVBNMU-OAHLLOKOSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001677306421 1174347350 /nfs/dbraw/zinc/34/73/50/1174347350.db2.gz IHJYLKSAFZWEQA-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001570215756 1170113633 /nfs/dbraw/zinc/11/36/33/1170113633.db2.gz MNSJXBMRCLKVIB-HNNXBMFYSA-N 2 0 279.428 1.132 10 30 CDEERP C=C(C)C[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001571333335 1170369625 /nfs/dbraw/zinc/36/96/25/1170369625.db2.gz NDARTMAVTPSNNF-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001571488712 1170438683 /nfs/dbraw/zinc/43/86/83/1170438683.db2.gz GZNDVTSYJBYOGY-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001571493992 1170453749 /nfs/dbraw/zinc/45/37/49/1170453749.db2.gz YDBQHEPCGTWFLD-UONOGXRCSA-N 2 0 267.417 1.482 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001656957440 1171905781 /nfs/dbraw/zinc/90/57/81/1171905781.db2.gz PYXONMZSRMDBBO-KFWWJZLASA-N 2 0 299.434 1.821 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594437102 342898544 /nfs/dbraw/zinc/89/85/44/342898544.db2.gz IAIREWQEHGMXQE-UONOGXRCSA-N 2 0 280.416 1.340 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000594438905 342906765 /nfs/dbraw/zinc/90/67/65/342906765.db2.gz QOBPGQUKPQKWSO-ZIAGYGMSSA-N 2 0 278.400 1.094 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000594456886 342911700 /nfs/dbraw/zinc/91/17/00/342911700.db2.gz UTKQHQBPNXINPL-HNNXBMFYSA-N 2 0 292.427 1.388 10 30 CDEERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595935503 343201467 /nfs/dbraw/zinc/20/14/67/343201467.db2.gz DVJIEOGTGQNODT-KBPBESRZSA-N 2 0 294.443 1.634 10 30 CDEERP C=C(C)CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001660194078 1172172826 /nfs/dbraw/zinc/17/28/26/1172172826.db2.gz CGJALJHLQNUQMR-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP Cn1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C#N ZINC000300075868 359581451 /nfs/dbraw/zinc/58/14/51/359581451.db2.gz LONKMPDBPXRIDZ-KGLIPLIRSA-N 2 0 258.369 1.613 10 30 CDEERP N#Cc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)s1 ZINC000176948664 189016465 /nfs/dbraw/zinc/01/64/65/189016465.db2.gz HVBSAAFAUUHYPQ-UHFFFAOYSA-N 2 0 279.409 1.822 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001661193261 1172351042 /nfs/dbraw/zinc/35/10/42/1172351042.db2.gz UPRMAYMZTVQVPH-JKSUJKDBSA-N 2 0 291.439 1.224 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001661813758 1172449144 /nfs/dbraw/zinc/44/91/44/1172449144.db2.gz FPSCBOCGDYNSQI-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C[C@@H]1COCC[C@H]1[NH2+]CC#CC[NH2+][C@H]1CCOC[C@H]1C ZINC000342139718 373993737 /nfs/dbraw/zinc/99/37/37/373993737.db2.gz XGNQRZTVELWNTR-FPCVCCKLSA-N 2 0 280.412 1.019 10 30 CDEERP C[C@@H]([NH3+])[C@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423454800 374383858 /nfs/dbraw/zinc/38/38/58/374383858.db2.gz ZPHKMOTYZBAAMN-KGLIPLIRSA-N 2 0 286.423 1.848 10 30 CDEERP C[C@H]1C[C@H]([N@H+](C)CCC(=O)N(C)CCC#N)CCN1C ZINC000092799318 378002702 /nfs/dbraw/zinc/00/27/02/378002702.db2.gz UHGVQDMGUGZIPT-UONOGXRCSA-N 2 0 280.416 1.163 10 30 CDEERP C=CCCn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nn1 ZINC000655941419 412953107 /nfs/dbraw/zinc/95/31/07/412953107.db2.gz TWJNXEHGQIVXNK-OKILXGFUSA-N 2 0 275.400 1.286 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001662856466 1172605870 /nfs/dbraw/zinc/60/58/70/1172605870.db2.gz ONWGHTRSKLKHTJ-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000662423917 413001924 /nfs/dbraw/zinc/00/19/24/413001924.db2.gz PPRNVIRKWLBFBL-VNHYZAJKSA-N 2 0 265.401 1.271 10 30 CDEERP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCCC#N)C[C@@H]1C ZINC000339009745 391241052 /nfs/dbraw/zinc/24/10/52/391241052.db2.gz ICNYDYKSNPHLKS-UONOGXRCSA-N 2 0 253.390 1.721 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC[C@H]([NH+](C)C)C2)CCC[NH2+]1 ZINC000662713787 413367158 /nfs/dbraw/zinc/36/71/58/413367158.db2.gz YTRYVJIFAHWQPT-ZFWWWQNUSA-N 2 0 265.401 1.237 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CCC[NH2+]1 ZINC000662754154 413433964 /nfs/dbraw/zinc/43/39/64/413433964.db2.gz FQBPSMRDGABJIY-IVMMDQJWSA-N 2 0 277.412 1.284 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001665350035 1172982454 /nfs/dbraw/zinc/98/24/54/1172982454.db2.gz FONLQUDIAIMVGR-UKRRQHHQSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[C@]1(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCC[NH2+]1 ZINC000662767263 413462443 /nfs/dbraw/zinc/46/24/43/413462443.db2.gz SWNIVAYYXZLSAC-KNCOVGOOSA-N 2 0 277.412 1.271 10 30 CDEERP C[NH+]1CCC(CNC(=O)c2ccc(C#CC[NH3+])cc2)CC1 ZINC000044527359 175192864 /nfs/dbraw/zinc/19/28/64/175192864.db2.gz GOEKTXZRCOAWGG-UHFFFAOYSA-N 2 0 285.391 1.068 10 30 CDEERP [NH3+]CC#Cc1cccc(OCC[NH+]2CCC(CO)CC2)c1 ZINC000049608313 175491882 /nfs/dbraw/zinc/49/18/82/175491882.db2.gz MXNVXGIEFIHKFN-UHFFFAOYSA-N 2 0 288.391 1.080 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001666558005 1173151681 /nfs/dbraw/zinc/15/16/81/1173151681.db2.gz JIPOPEVXFMNWHP-GFCCVEGCSA-N 2 0 293.436 1.398 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC(C)(C)O1 ZINC000249446306 261253164 /nfs/dbraw/zinc/25/31/64/261253164.db2.gz LDLVWLBCEZCYDS-QWHCGFSZSA-N 2 0 282.432 1.333 10 30 CDEERP C(#CC[N@@H+]1CCCSCC1)C[NH+]1CCCSCC1 ZINC000341923137 263366579 /nfs/dbraw/zinc/36/65/79/263366579.db2.gz OQTASXSICFNLMY-UHFFFAOYSA-N 2 0 284.494 1.868 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001666991257 1173217933 /nfs/dbraw/zinc/21/79/33/1173217933.db2.gz AKTOWSDCSKZCEH-CQSZACIVSA-N 2 0 281.444 1.424 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662682233 424310466 /nfs/dbraw/zinc/31/04/66/424310466.db2.gz OXSRYXBJNPTEFX-BBRMVZONSA-N 2 0 277.412 1.285 10 30 CDEERP C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001667410063 1173264323 /nfs/dbraw/zinc/26/43/23/1173264323.db2.gz FEFYVTXSZULFDZ-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001668477343 1173417194 /nfs/dbraw/zinc/41/71/94/1173417194.db2.gz ALSWZRHNOMOMPI-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001671774024 1173709494 /nfs/dbraw/zinc/70/94/94/1173709494.db2.gz CUGWKVGBAYEDRV-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001673877167 1173891906 /nfs/dbraw/zinc/89/19/06/1173891906.db2.gz DQMAGZAVXHMISB-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267054913 1159101404 /nfs/dbraw/zinc/10/14/04/1159101404.db2.gz HLURDGCBMKEVOC-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001690574545 1175509284 /nfs/dbraw/zinc/50/92/84/1175509284.db2.gz CKYCWCVDJYQWBQ-CHWSQXEVSA-N 2 0 253.390 1.140 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001698903061 1159154742 /nfs/dbraw/zinc/15/47/42/1159154742.db2.gz ZURWBMCDCONXEJ-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262476439 330016098 /nfs/dbraw/zinc/01/60/98/330016098.db2.gz QHKZFGCMXDBSFP-GJZGRUSLSA-N 2 0 296.459 1.532 10 30 CDEERP CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262502064 330017960 /nfs/dbraw/zinc/01/79/60/330017960.db2.gz YPUBCVKIRPDYSB-RRFJBIMHSA-N 2 0 278.444 1.921 10 30 CDEERP C[NH+]=C(NC1CCC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262796622 330032237 /nfs/dbraw/zinc/03/22/37/330032237.db2.gz PSUHTWCFFPQSAG-AGUYFDCRSA-N 2 0 264.417 1.719 10 30 CDEERP C=CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]21 ZINC001699021133 1159206718 /nfs/dbraw/zinc/20/67/18/1159206718.db2.gz RASBNIJXZNEJSP-LSDHHAIUSA-N 2 0 279.428 1.435 10 30 CDEERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC#CC[NH+](C)C)C[C@@H]1C ZINC001684869868 1174663696 /nfs/dbraw/zinc/66/36/96/1174663696.db2.gz QNOVIXYAHRUVAF-LSDHHAIUSA-N 2 0 294.443 1.066 10 30 CDEERP COCC#CCN1CCC[C@@H]([N@H+](C)CC#CCOC)CC1 ZINC000677819745 617422232 /nfs/dbraw/zinc/42/22/32/617422232.db2.gz OUFPQXFSZDVWTE-QGZVFWFLSA-N 2 0 292.423 1.072 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000900539650 623217591 /nfs/dbraw/zinc/21/75/91/623217591.db2.gz DRJKBBYEGOJHKW-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CCC)CCC[NH+](C)C ZINC000907657286 627768326 /nfs/dbraw/zinc/76/83/26/627768326.db2.gz IIIDAYVVVTYHHB-UHFFFAOYSA-N 2 0 269.433 1.685 10 30 CDEERP C=CCNC(NC[C@@H]1CCC[N@H+]1C)=[NH+]C(C)(C)C ZINC000912497341 630057950 /nfs/dbraw/zinc/05/79/50/630057950.db2.gz RFKFHMKYUVYALB-LBPRGKRZSA-N 2 0 252.406 1.600 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC[C@H](C)F)CC1 ZINC001772517051 1158551358 /nfs/dbraw/zinc/55/13/58/1158551358.db2.gz OBSSDCFJWOYINK-KBPBESRZSA-N 2 0 297.418 1.174 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724543960 1158574411 /nfs/dbraw/zinc/57/44/11/1158574411.db2.gz ILHCOXLNZBZGCO-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001670556411 1158644581 /nfs/dbraw/zinc/64/45/81/1158644581.db2.gz LFNVHRWETQYBSL-HOTGVXAUSA-N 2 0 293.455 1.921 10 30 CDEERP C[NH+](C)CC#CCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000913521080 693883086 /nfs/dbraw/zinc/88/30/86/693883086.db2.gz KEAPVHHNHRTAGB-UHFFFAOYSA-N 2 0 299.418 1.116 10 30 CDEERP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000872228498 695084203 /nfs/dbraw/zinc/08/42/03/695084203.db2.gz IIKGKQIUHPBLAC-SHARSMKWSA-N 2 0 279.428 1.894 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000877194456 694006413 /nfs/dbraw/zinc/00/64/13/694006413.db2.gz NFBAONNKSGWKKT-GFCCVEGCSA-N 2 0 287.835 1.789 10 30 CDEERP CC(C)[N@H+]1CC(=NNCCCn2ccnc2)[C@@H](C)C1 ZINC000848418492 688651276 /nfs/dbraw/zinc/65/12/76/688651276.db2.gz MLICATYDZKWISQ-ZDUSSCGKSA-N 2 0 263.389 1.579 10 30 CDEERP N#Cc1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923450427 688706887 /nfs/dbraw/zinc/70/68/87/688706887.db2.gz HFNPROJFTIHMCS-MRXNPFEDSA-N 2 0 285.391 1.888 10 30 CDEERP Cc1cc(C[NH+](C)C)cc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852886448 692227114 /nfs/dbraw/zinc/22/71/14/692227114.db2.gz MPXHJSGMKMNWKS-UHFFFAOYSA-N 2 0 299.418 1.998 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCS[C@H](CC)C1 ZINC000124788333 692826972 /nfs/dbraw/zinc/82/69/72/692826972.db2.gz ZYXKWOFIQUEKHT-UONOGXRCSA-N 2 0 298.500 1.874 10 30 CDEERP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691258991 1158983126 /nfs/dbraw/zinc/98/31/26/1158983126.db2.gz VRRLEPHNQNIEKS-JKSUJKDBSA-N 2 0 291.439 1.226 10 30 CDEERP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])NC2CCCCC2)CC1 ZINC000303870748 693081529 /nfs/dbraw/zinc/08/15/29/693081529.db2.gz BKDSMCGOWIBZEB-AWEZNQCLSA-N 2 0 295.475 1.249 10 30 CDEERP C[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000262004624 693150608 /nfs/dbraw/zinc/15/06/08/693150608.db2.gz VIAPSDYRXJXXOX-QLFBSQMISA-N 2 0 296.459 1.449 10 30 CDEERP C[NH+]=C(NCc1ccccn1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000262025169 693265942 /nfs/dbraw/zinc/26/59/42/693265942.db2.gz ZORCBQAGJJAANJ-DZGCQCFKSA-N 2 0 289.427 1.475 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000876772713 694706759 /nfs/dbraw/zinc/70/67/59/694706759.db2.gz RLMJXNMEWLZCBK-MNOVXSKESA-N 2 0 275.824 1.549 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000877125523 694753502 /nfs/dbraw/zinc/75/35/02/694753502.db2.gz OJAAWADRSHFDOK-WDEREUQCSA-N 2 0 259.781 1.186 10 30 CDEERP C=CCC[C@H](O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000923409857 694801952 /nfs/dbraw/zinc/80/19/52/694801952.db2.gz JWIYSEOKVABBDO-HOTGVXAUSA-N 2 0 282.428 1.404 10 30 CDEERP C=C[C@@H](CC)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000827892800 694842925 /nfs/dbraw/zinc/84/29/25/694842925.db2.gz SYFPEKXBJXOGFU-ARFHVFGLSA-N 2 0 295.471 1.787 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691180457 1158947671 /nfs/dbraw/zinc/94/76/71/1158947671.db2.gz CONPBCINYCRWSC-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001268738041 1160009875 /nfs/dbraw/zinc/00/98/75/1160009875.db2.gz NFOXUGGWBCGCGA-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001691622879 1160721181 /nfs/dbraw/zinc/72/11/81/1160721181.db2.gz CPUQKNJCKTZJMY-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001611392252 1165492606 /nfs/dbraw/zinc/49/26/06/1165492606.db2.gz LPZRDWJIGGPGFO-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001630637362 1166220281 /nfs/dbraw/zinc/22/02/81/1166220281.db2.gz ZFWXELFAHYBEKN-HNNXBMFYSA-N 2 0 279.428 1.295 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCC)C(C)C)CC1 ZINC001568469976 1169303991 /nfs/dbraw/zinc/30/39/91/1169303991.db2.gz FOCUMCADQLGBLN-MRXNPFEDSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001568969957 1169568245 /nfs/dbraw/zinc/56/82/45/1169568245.db2.gz RIZSJEZBMHECNW-GXMNPTEKSA-N 2 0 299.846 1.875 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001569987196 1170054025 /nfs/dbraw/zinc/05/40/25/1170054025.db2.gz OFBSXAWBSFZOJM-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001570908354 1170317312 /nfs/dbraw/zinc/31/73/12/1170317312.db2.gz ZMGWLQXZXCDQHL-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001656960722 1171905229 /nfs/dbraw/zinc/90/52/29/1171905229.db2.gz RSMFMGDCUYWVPE-OLZOCXBDSA-N 2 0 265.401 1.236 10 30 CDEERP C=CCC[NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001666240976 1173120665 /nfs/dbraw/zinc/12/06/65/1173120665.db2.gz WQUZEVPHUVBMSP-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C[NH+](C)CC#CCNC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001684872034 1174663671 /nfs/dbraw/zinc/66/36/71/1174663671.db2.gz XFAKVMJGQNATLX-UHFFFAOYSA-N 2 0 294.443 1.114 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001690340726 1175443253 /nfs/dbraw/zinc/44/32/53/1175443253.db2.gz BASAHRUIQCLXMV-ZNMIVQPWSA-N 2 0 277.412 1.121 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001690408151 1175465439 /nfs/dbraw/zinc/46/54/39/1175465439.db2.gz ZALRZWTWKHSGGG-HUUCEWRRSA-N 2 0 297.418 1.128 10 30 CDEERP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001692369102 1175752057 /nfs/dbraw/zinc/75/20/57/1175752057.db2.gz TWDPEFQROZSMCJ-FXUDXRNXSA-N 2 0 293.455 1.966 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001698766639 1175923697 /nfs/dbraw/zinc/92/36/97/1175923697.db2.gz PBGQMAPLWNJLLX-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001699508240 1176453839 /nfs/dbraw/zinc/45/38/39/1176453839.db2.gz ONVUHOBWIGWFTB-ZBFHGGJFSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001699724538 1176590013 /nfs/dbraw/zinc/59/00/13/1176590013.db2.gz MQFWZFLNWFZKGH-KGLIPLIRSA-N 2 0 279.428 1.435 10 30 CDEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CCC)CC1 ZINC001699782778 1176619247 /nfs/dbraw/zinc/61/92/47/1176619247.db2.gz ILVAJWFLIMNDRZ-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CC)CC1 ZINC001699782905 1176619417 /nfs/dbraw/zinc/61/94/17/1176619417.db2.gz LVENWVXLEPJFEB-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001700019351 1176720507 /nfs/dbraw/zinc/72/05/07/1176720507.db2.gz ICFMDCHRODYXDU-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001700273233 1176826187 /nfs/dbraw/zinc/82/61/87/1176826187.db2.gz GEFQJUGKZAMICD-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001700275152 1176828398 /nfs/dbraw/zinc/82/83/98/1176828398.db2.gz CQVORSKWCBVOIL-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+]1CCCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001700621483 1177038658 /nfs/dbraw/zinc/03/86/58/1177038658.db2.gz YBGOVEXLRBLZKQ-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001707259245 1177982437 /nfs/dbraw/zinc/98/24/37/1177982437.db2.gz WZHHSNKQXQLLRZ-OLZOCXBDSA-N 2 0 265.401 1.093 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001713411631 1178544851 /nfs/dbraw/zinc/54/48/51/1178544851.db2.gz MHFLLPCFHHBMIW-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001713517328 1178620447 /nfs/dbraw/zinc/62/04/47/1178620447.db2.gz HWOGVJHGWMLTTB-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001714016490 1178928080 /nfs/dbraw/zinc/92/80/80/1178928080.db2.gz PVNMLROBGBNIKV-KFWWJZLASA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001714106427 1178976149 /nfs/dbraw/zinc/97/61/49/1178976149.db2.gz LZAGKPUEWOEEOZ-CJNGLKHVSA-N 2 0 299.434 1.869 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001714384965 1179116101 /nfs/dbraw/zinc/11/61/01/1179116101.db2.gz KCUWZHNLOWQKSP-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)CC[NH+]1CCCCC1 ZINC001714600508 1179256371 /nfs/dbraw/zinc/25/63/71/1179256371.db2.gz VIMPJMKORVVKST-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCCC)CC1 ZINC001714798835 1179402841 /nfs/dbraw/zinc/40/28/41/1179402841.db2.gz XRDWZHQDAHWFPJ-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001714861168 1179424417 /nfs/dbraw/zinc/42/44/17/1179424417.db2.gz IWGYXKRSROOWNJ-OAHLLOKOSA-N 2 0 279.428 1.581 10 30 CDEERP CC#CC[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001714901958 1179445429 /nfs/dbraw/zinc/44/54/29/1179445429.db2.gz CAHQQJRICLLMDD-MRXNPFEDSA-N 2 0 293.455 1.522 10 30 CDEERP C=CCCCCCN1CC(NC(=O)Cn2ccnc2)C1 ZINC001714960765 1179477090 /nfs/dbraw/zinc/47/70/90/1179477090.db2.gz QXIVPLAJIHSUDC-UHFFFAOYSA-N 2 0 276.384 1.430 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001714983354 1179490601 /nfs/dbraw/zinc/49/06/01/1179490601.db2.gz XSMXJLFAMGOWGF-OKILXGFUSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001714986233 1179492040 /nfs/dbraw/zinc/49/20/40/1179492040.db2.gz DPXVTQCPCGXMSX-KKUMJFAQSA-N 2 0 277.412 1.332 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001715184450 1179572011 /nfs/dbraw/zinc/57/20/11/1179572011.db2.gz VFKWVOLFWXUWMC-KLHDSHLOSA-N 2 0 291.439 1.367 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715357546 1179640592 /nfs/dbraw/zinc/64/05/92/1179640592.db2.gz QBKIIHGURVQKRP-KKUMJFAQSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001715400489 1179656888 /nfs/dbraw/zinc/65/68/88/1179656888.db2.gz USYAMHGLNXRIHO-HZPDHXFCSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C(C)C ZINC001715492582 1179682058 /nfs/dbraw/zinc/68/20/58/1179682058.db2.gz QQPLEXUIGPKUSD-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[N@H+](C)CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001715500153 1179684965 /nfs/dbraw/zinc/68/49/65/1179684965.db2.gz YDBIOMCZSMFUCZ-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001715521748 1179697653 /nfs/dbraw/zinc/69/76/53/1179697653.db2.gz XLFOHDUTLFGSLM-INIZCTEOSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001715835121 1179859669 /nfs/dbraw/zinc/85/96/69/1179859669.db2.gz NNPZAPODFWIAOD-MVGZEHJDSA-N 2 0 279.428 1.699 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC2CCC2)CC1 ZINC001716466352 1180225831 /nfs/dbraw/zinc/22/58/31/1180225831.db2.gz XPPMZLRPEJZSCD-AWEZNQCLSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001716497612 1180253872 /nfs/dbraw/zinc/25/38/72/1180253872.db2.gz MQZHAZHMCQRIQI-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001716522186 1180265367 /nfs/dbraw/zinc/26/53/67/1180265367.db2.gz MYQUKLUPECMCBQ-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001716661673 1180346887 /nfs/dbraw/zinc/34/68/87/1180346887.db2.gz RICPOSRWCIVCME-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001716901663 1180459075 /nfs/dbraw/zinc/45/90/75/1180459075.db2.gz NDZMOYBCZVLKFZ-GDBMZVCRSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001717373723 1180635018 /nfs/dbraw/zinc/63/50/18/1180635018.db2.gz ORDKYEQISYECPQ-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH]cn1 ZINC001717412676 1180659829 /nfs/dbraw/zinc/65/98/29/1180659829.db2.gz JSRDNIFUCSPYGM-MNOVXSKESA-N 2 0 250.346 1.011 10 30 CDEERP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001717530717 1180724578 /nfs/dbraw/zinc/72/45/78/1180724578.db2.gz WCDWXFNOULDHNX-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001717561799 1180741916 /nfs/dbraw/zinc/74/19/16/1180741916.db2.gz SVAGBHNHQBYDLP-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001717745146 1180823577 /nfs/dbraw/zinc/82/35/77/1180823577.db2.gz PRRLZYFARLPECK-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001717861252 1180897062 /nfs/dbraw/zinc/89/70/62/1180897062.db2.gz VMSBZDKXTVSGGI-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001717998545 1180964193 /nfs/dbraw/zinc/96/41/93/1180964193.db2.gz DRGFSZOZSPKOOQ-UHFFFAOYSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001722915898 1181493891 /nfs/dbraw/zinc/49/38/91/1181493891.db2.gz JDUWIOBGNNHFHD-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001723875029 1181614258 /nfs/dbraw/zinc/61/42/58/1181614258.db2.gz KNNHSLNFKRIEPY-CABCVRRESA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)C[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001724014856 1181630430 /nfs/dbraw/zinc/63/04/30/1181630430.db2.gz UKYBIKJCQGDRKF-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001724221665 1181655966 /nfs/dbraw/zinc/65/59/66/1181655966.db2.gz AWRSKIMAFCKJHZ-QGZVFWFLSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001725042105 1181833206 /nfs/dbraw/zinc/83/32/06/1181833206.db2.gz QINSJVCXRKTQAX-INIZCTEOSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001725167799 1181899837 /nfs/dbraw/zinc/89/98/37/1181899837.db2.gz ZTJKFLSRBBSMCB-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001725189338 1181915573 /nfs/dbraw/zinc/91/55/73/1181915573.db2.gz JKDKLUHSOUVLPT-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001725244033 1181935212 /nfs/dbraw/zinc/93/52/12/1181935212.db2.gz WVNSHXMIELZLFP-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001725269015 1181945708 /nfs/dbraw/zinc/94/57/08/1181945708.db2.gz KTRYZKLDSZFWBW-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001725322743 1181962722 /nfs/dbraw/zinc/96/27/22/1181962722.db2.gz WQGGFHMIAZRTFY-QKDCVEJESA-N 2 0 279.428 1.197 10 30 CDEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001725390846 1181985496 /nfs/dbraw/zinc/98/54/96/1181985496.db2.gz XMUXRPQWRRZNJI-JKSUJKDBSA-N 2 0 293.455 1.757 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001725637007 1182080508 /nfs/dbraw/zinc/08/05/08/1182080508.db2.gz UQQXMOHMIRMRMC-GOEBONIOSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001731296246 1182299829 /nfs/dbraw/zinc/29/98/29/1182299829.db2.gz KFTKVAUPFPSERI-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001731420952 1182373654 /nfs/dbraw/zinc/37/36/54/1182373654.db2.gz AUVQMWKGIVEJOY-HOTGVXAUSA-N 2 0 291.439 1.132 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001731660670 1182506647 /nfs/dbraw/zinc/50/66/47/1182506647.db2.gz UIYSMIZTDJPNIL-GDBMZVCRSA-N 2 0 291.439 1.342 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001731667172 1182509791 /nfs/dbraw/zinc/50/97/91/1182509791.db2.gz KBBIJWXBTDIFFE-JYJNAYRXSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001731777789 1182570961 /nfs/dbraw/zinc/57/09/61/1182570961.db2.gz KLQAKYAQKWGAFG-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001732041035 1182736702 /nfs/dbraw/zinc/73/67/02/1182736702.db2.gz DAHHANVRJAQLAN-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001733130500 1183301518 /nfs/dbraw/zinc/30/15/18/1183301518.db2.gz FEKYNDSOEDPYRC-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC(C)C)CC1 ZINC001733372525 1183411996 /nfs/dbraw/zinc/41/19/96/1183411996.db2.gz PXXNZTMOZNHPAN-UHFFFAOYSA-N 2 0 293.455 1.520 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001734122457 1183666908 /nfs/dbraw/zinc/66/69/08/1183666908.db2.gz QSNCMVOVQQWLLQ-CQSZACIVSA-N 2 0 295.471 1.977 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001734355270 1183745230 /nfs/dbraw/zinc/74/52/30/1183745230.db2.gz CNMCVUKDVQKPPX-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001734458140 1183785485 /nfs/dbraw/zinc/78/54/85/1183785485.db2.gz KSDVNGVLNBAZFK-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001750932329 1184783442 /nfs/dbraw/zinc/78/34/42/1184783442.db2.gz IGHCQYZQKXLDQC-AWEZNQCLSA-N 2 0 276.384 1.451 10 30 CDEERP C=CCCn1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)nn1 ZINC000848599543 723536693 /nfs/dbraw/zinc/53/66/93/723536693.db2.gz MEROQMUALKHEPF-UHFFFAOYSA-N 2 0 275.400 1.430 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000876510970 723678404 /nfs/dbraw/zinc/67/84/04/723678404.db2.gz ZGJDBCAKKAXGAV-DCAQKATOSA-N 2 0 259.781 1.185 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000876731337 1165902391 /nfs/dbraw/zinc/90/23/91/1165902391.db2.gz IMZRRCDAMQAJTJ-YPMHNXCESA-N 2 0 287.835 1.695 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000876807061 1165920687 /nfs/dbraw/zinc/92/06/87/1165920687.db2.gz XNUVYTRMXDDUSP-CYBMUJFWSA-N 2 0 281.787 1.444 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001566803218 1168428168 /nfs/dbraw/zinc/42/81/68/1168428168.db2.gz RZMXGFJPTHFIIN-RBSFLKMASA-N 2 0 279.428 1.367 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001272458444 913148137 /nfs/dbraw/zinc/14/81/37/913148137.db2.gz YHJWRUJAMGCMAQ-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001567311601 1168672010 /nfs/dbraw/zinc/67/20/10/1168672010.db2.gz AALQVYWMWRJIMO-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001266458840 894974533 /nfs/dbraw/zinc/97/45/33/894974533.db2.gz DJAZXGHTKPXIJY-AWEZNQCLSA-N 2 0 290.411 1.699 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266638151 895658536 /nfs/dbraw/zinc/65/85/36/895658536.db2.gz JWJSGVBBQSXFLX-KBUPBQIOSA-N 2 0 279.428 1.530 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266730056 895928467 /nfs/dbraw/zinc/92/84/67/895928467.db2.gz JWJSGVBBQSXFLX-BARDWOONSA-N 2 0 279.428 1.530 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001266963657 896454218 /nfs/dbraw/zinc/45/42/18/896454218.db2.gz BXDHMNRHTQXFCY-HOCLYGCPSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267046052 896630304 /nfs/dbraw/zinc/63/03/04/896630304.db2.gz WXJMQVITADGRCP-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001267174395 897005296 /nfs/dbraw/zinc/00/52/96/897005296.db2.gz XTQDJNAZVVAXPB-HIFRSBDPSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001267570545 898424027 /nfs/dbraw/zinc/42/40/27/898424027.db2.gz BUZNCIMGKXOUJO-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001481154936 898989366 /nfs/dbraw/zinc/98/93/66/898989366.db2.gz OSTWGKPDOYQOBS-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001420070578 899112551 /nfs/dbraw/zinc/11/25/51/899112551.db2.gz AKTMAFGDUIFWJR-KGLIPLIRSA-N 2 0 299.846 1.613 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001481251772 899666978 /nfs/dbraw/zinc/66/69/78/899666978.db2.gz RZSRYDASLUOMOW-UHFFFAOYSA-N 2 0 285.819 1.415 10 30 CDEERP C#CCC[NH2+]C[C@](C)(NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001267858044 899883988 /nfs/dbraw/zinc/88/39/88/899883988.db2.gz LIFASBJXIGHAHV-YOEHRIQHSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001267964048 900097322 /nfs/dbraw/zinc/09/73/22/900097322.db2.gz ZPONZGRIMHIACQ-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001481340042 900453162 /nfs/dbraw/zinc/45/31/62/900453162.db2.gz OFVCQBBXBVIZDB-DZGCQCFKSA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001268093519 901229149 /nfs/dbraw/zinc/22/91/49/901229149.db2.gz XGMGZVVMIMWXDE-HNNXBMFYSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001268214737 901584178 /nfs/dbraw/zinc/58/41/78/901584178.db2.gz ZFJIVEZYPWQZDV-CQSZACIVSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481812693 902165687 /nfs/dbraw/zinc/16/56/87/902165687.db2.gz RQYIHHUHYVYHES-LSDHHAIUSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001481922790 902335844 /nfs/dbraw/zinc/33/58/44/902335844.db2.gz MDGIJWQORVUFQF-DZGCQCFKSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001268900622 903226138 /nfs/dbraw/zinc/22/61/38/903226138.db2.gz LGSANECVDYMKEZ-ZBFHGGJFSA-N 2 0 295.471 1.975 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001269187820 903524822 /nfs/dbraw/zinc/52/48/22/903524822.db2.gz XMPLSGCUPFQGEX-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001269350424 903726934 /nfs/dbraw/zinc/72/69/34/903726934.db2.gz IHWVAFIOLGOSOI-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001269484151 903852491 /nfs/dbraw/zinc/85/24/91/903852491.db2.gz CEVIMPJITWHYBE-CYBMUJFWSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001269522934 903889679 /nfs/dbraw/zinc/88/96/79/903889679.db2.gz WDZIXFVEJWEOOL-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001269558164 903928741 /nfs/dbraw/zinc/92/87/41/903928741.db2.gz WZAURMSNMJWJCM-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001482235503 904001659 /nfs/dbraw/zinc/00/16/59/904001659.db2.gz IDSMBXUUXNYYEF-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001269672756 904024924 /nfs/dbraw/zinc/02/49/24/904024924.db2.gz ZJJVGAJAFXTELJ-ZBFHGGJFSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH+]1CC2(C1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001482245852 904148014 /nfs/dbraw/zinc/14/80/14/904148014.db2.gz RIGLAXSBNPUKSY-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001269935128 904219770 /nfs/dbraw/zinc/21/97/70/904219770.db2.gz JOCBJONMLPIKDJ-INIZCTEOSA-N 2 0 295.471 1.977 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001269980843 904248944 /nfs/dbraw/zinc/24/89/44/904248944.db2.gz ICGXEFZNLQGHJM-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001270940712 905473288 /nfs/dbraw/zinc/47/32/88/905473288.db2.gz OALABTUEJDNNGN-NVXWUHKLSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001482500193 906679386 /nfs/dbraw/zinc/67/93/86/906679386.db2.gz STXNXGPUUBHXOU-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001271759045 906779208 /nfs/dbraw/zinc/77/92/08/906779208.db2.gz LFAOLQLRWSZMRL-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001272033620 907569233 /nfs/dbraw/zinc/56/92/33/907569233.db2.gz RUECCGWHECZIKZ-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001272043738 907685084 /nfs/dbraw/zinc/68/50/84/907685084.db2.gz NIIFBHXURMPARD-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001496796704 908547355 /nfs/dbraw/zinc/54/73/55/908547355.db2.gz KLISLQJYFFULAD-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001567953053 1169091623 /nfs/dbraw/zinc/09/16/23/1169091623.db2.gz PIUYWRBFDVMAKN-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001483082857 909301645 /nfs/dbraw/zinc/30/16/45/909301645.db2.gz YBWVFCZOSARSFQ-OKQSBHACSA-N 2 0 293.455 1.945 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483158148 909880551 /nfs/dbraw/zinc/88/05/51/909880551.db2.gz GQFQTMAIAKDYDJ-GDBMZVCRSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001568004485 1169114422 /nfs/dbraw/zinc/11/44/22/1169114422.db2.gz AWVSNYJIHMJYRP-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001483474260 911166000 /nfs/dbraw/zinc/16/60/00/911166000.db2.gz IFSYWGGNWQSRKJ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001483908434 915202768 /nfs/dbraw/zinc/20/27/68/915202768.db2.gz KFRXFGFHLRYCPJ-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483955374 915239012 /nfs/dbraw/zinc/23/90/12/915239012.db2.gz GTPRWEUZKGWOBV-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001484378695 915696619 /nfs/dbraw/zinc/69/66/19/915696619.db2.gz ZYMHXCKHZDJOQT-CABCVRRESA-N 2 0 281.444 1.588 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001484376307 915699100 /nfs/dbraw/zinc/69/91/00/915699100.db2.gz YYGCZHJNKHUBQO-GJZGRUSLSA-N 2 0 281.444 1.588 10 30 CDEERP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001484411959 915738442 /nfs/dbraw/zinc/73/84/42/915738442.db2.gz FRHXVOMCONEGOM-XHSDSOJGSA-N 2 0 293.455 1.683 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001568178658 1169163702 /nfs/dbraw/zinc/16/37/02/1169163702.db2.gz FRQYCSLMENWJFK-CQSZACIVSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001484921195 916277559 /nfs/dbraw/zinc/27/75/59/916277559.db2.gz PZXAZKDXCGJQRB-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001279169611 917219578 /nfs/dbraw/zinc/21/95/78/917219578.db2.gz HLGDYGCWCPDZAY-CVEARBPZSA-N 2 0 291.439 1.036 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001139870013 936654811 /nfs/dbraw/zinc/65/48/11/936654811.db2.gz WERIHNYUMLINGW-HUUCEWRRSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001486128689 920757103 /nfs/dbraw/zinc/75/71/03/920757103.db2.gz KRVREXSNAWSOPB-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486178408 920781590 /nfs/dbraw/zinc/78/15/90/920781590.db2.gz CRMHQLWWZXBZCU-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001486481354 921059377 /nfs/dbraw/zinc/05/93/77/921059377.db2.gz KVDRMOQSQJTMDG-YMAMQOFZSA-N 2 0 281.444 1.728 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001273084629 921953675 /nfs/dbraw/zinc/95/36/75/921953675.db2.gz VQVWHEDRHYJSND-AWEZNQCLSA-N 2 0 277.412 1.143 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001649445261 1169258040 /nfs/dbraw/zinc/25/80/40/1169258040.db2.gz JPHMCEAJHWNWIJ-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001490927196 936832134 /nfs/dbraw/zinc/83/21/34/936832134.db2.gz ZGQLLCRPRUETJV-IHRRRGAJSA-N 2 0 267.417 1.530 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001490945900 936834530 /nfs/dbraw/zinc/83/45/30/936834530.db2.gz LGKMFFNGGCASSB-KLHDSHLOSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001649448966 1169259262 /nfs/dbraw/zinc/25/92/62/1169259262.db2.gz HHLRYTMQDYJQTL-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)CC[NH+]1CCCCC1 ZINC001273764237 925384788 /nfs/dbraw/zinc/38/47/88/925384788.db2.gz BGQSDCQTHHDLEO-UHFFFAOYSA-N 2 0 281.444 1.877 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001494901697 926066900 /nfs/dbraw/zinc/06/69/00/926066900.db2.gz VVZZOMXOEOZQHY-LSDHHAIUSA-N 2 0 299.434 1.775 10 30 CDEERP C#CC[N@@H+](C)CCCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000842877140 937087673 /nfs/dbraw/zinc/08/76/73/937087673.db2.gz VSZUJRIPESQQBA-AWEZNQCLSA-N 2 0 274.412 1.825 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001488835018 926731467 /nfs/dbraw/zinc/73/14/67/926731467.db2.gz RHJMLSQIIZIGEB-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001489244420 926834199 /nfs/dbraw/zinc/83/41/99/926834199.db2.gz URVXKPDFYKXMTR-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001489239484 926852203 /nfs/dbraw/zinc/85/22/03/926852203.db2.gz FAZPNPDFQNPSPR-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001489299822 926858466 /nfs/dbraw/zinc/85/84/66/926858466.db2.gz FAMOBHJRXBRBHR-OAGGEKHMSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001490692229 927302804 /nfs/dbraw/zinc/30/28/04/927302804.db2.gz CQUKOTDOJYSREK-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274996898 931627538 /nfs/dbraw/zinc/62/75/38/931627538.db2.gz LWWOUVKWCASERA-OWCLPIDISA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001275279394 931722512 /nfs/dbraw/zinc/72/25/12/931722512.db2.gz UGHUZAXZLBSLFY-UHFFFAOYSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001275629646 931916574 /nfs/dbraw/zinc/91/65/74/931916574.db2.gz NPRGUJQQMJOAOE-ILXRZTDVSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[N@H+](C)CCCN[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000926489875 932994429 /nfs/dbraw/zinc/99/44/29/932994429.db2.gz LFHZNADMMUBIQU-CVEARBPZSA-N 2 0 263.429 1.548 10 30 CDEERP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000929638272 933253699 /nfs/dbraw/zinc/25/36/99/933253699.db2.gz VWFGQZYDGCZGDS-MRXNPFEDSA-N 2 0 299.418 1.880 10 30 CDEERP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001276320676 935008525 /nfs/dbraw/zinc/00/85/25/935008525.db2.gz VBCZPELJQLBGSQ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001276601681 940408686 /nfs/dbraw/zinc/40/86/86/940408686.db2.gz RQOIVNHUINYEBN-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001276611882 940433635 /nfs/dbraw/zinc/43/36/35/940433635.db2.gz LNLUIHXYUNQCSY-HZPDHXFCSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001276707383 940792564 /nfs/dbraw/zinc/79/25/64/940792564.db2.gz FZHMFUXTXXWRQZ-QKDCVEJESA-N 2 0 279.428 1.198 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001276798093 941283961 /nfs/dbraw/zinc/28/39/61/941283961.db2.gz BRCUWSBTUBGTCH-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001276947239 941720680 /nfs/dbraw/zinc/72/06/80/941720680.db2.gz POLSQQZYXGIFRJ-RBSFLKMASA-N 2 0 279.428 1.531 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC001524268627 970832613 /nfs/dbraw/zinc/83/26/13/970832613.db2.gz XPXVZKNPMXRIJG-WDEREUQCSA-N 2 0 259.781 1.057 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001277092915 941942784 /nfs/dbraw/zinc/94/27/84/941942784.db2.gz QXWOFRBTJJWPPM-WKILWMFISA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568775523 1169471344 /nfs/dbraw/zinc/47/13/44/1169471344.db2.gz ATROFMSQZQUMCY-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001277189399 942149817 /nfs/dbraw/zinc/14/98/17/942149817.db2.gz LSWWNTDCABUVEU-UHFFFAOYSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001279630606 942399598 /nfs/dbraw/zinc/39/95/98/942399598.db2.gz HFOKBYRLKVYABQ-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001282334483 942689854 /nfs/dbraw/zinc/68/98/54/942689854.db2.gz AMAASWXNCKVHHO-GJZGRUSLSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001282399493 942707129 /nfs/dbraw/zinc/70/71/29/942707129.db2.gz SPHBXOAYYQESPB-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001283043092 942810661 /nfs/dbraw/zinc/81/06/61/942810661.db2.gz CPIJKEKTXYJNJS-YHUYYLMFSA-N 2 0 291.439 1.224 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001283441276 942899079 /nfs/dbraw/zinc/89/90/79/942899079.db2.gz BYUNVUFEZGVIMQ-RBSFLKMASA-N 2 0 279.428 1.080 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001284247395 943130325 /nfs/dbraw/zinc/13/03/25/943130325.db2.gz YZVOGPLVIYFADE-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001263821531 943987983 /nfs/dbraw/zinc/98/79/83/943987983.db2.gz UKMXHVQDCCNZNN-HNNXBMFYSA-N 2 0 279.428 1.581 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001264727321 944171485 /nfs/dbraw/zinc/17/14/85/944171485.db2.gz GPQZEYFYPUIXGS-HZSPNIEDSA-N 2 0 267.417 1.482 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001264745305 944173616 /nfs/dbraw/zinc/17/36/16/944173616.db2.gz AKUPMHYQAIIJNC-INIZCTEOSA-N 2 0 291.439 1.418 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001277954339 944208398 /nfs/dbraw/zinc/20/83/98/944208398.db2.gz PBKJJTZOSISXQG-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001265292958 944327457 /nfs/dbraw/zinc/32/74/57/944327457.db2.gz SSCAHNIAUXRSAV-OAHLLOKOSA-N 2 0 291.439 1.772 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001265452620 944393002 /nfs/dbraw/zinc/39/30/02/944393002.db2.gz NBAPKVZAFDMGHF-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001265553761 944428152 /nfs/dbraw/zinc/42/81/52/944428152.db2.gz BIAODSHBIHDMPO-YHUYYLMFSA-N 2 0 293.455 1.920 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001265688055 944469820 /nfs/dbraw/zinc/46/98/20/944469820.db2.gz LPEDNQLQTPQXBA-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001265783752 944508174 /nfs/dbraw/zinc/50/81/74/944508174.db2.gz PVLWSSWVAOKOFV-DZGCQCFKSA-N 2 0 277.412 1.121 10 30 CDEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266116342 944690758 /nfs/dbraw/zinc/69/07/58/944690758.db2.gz JQCSQSLXMGXKAI-JKSUJKDBSA-N 2 0 293.455 1.519 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)Cc1[nH]cnc1C)C(C)(C)C ZINC001279027984 948614917 /nfs/dbraw/zinc/61/49/17/948614917.db2.gz KVLXTFPIYQHUMC-AWEZNQCLSA-N 2 0 292.427 1.957 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001480157680 971606984 /nfs/dbraw/zinc/60/69/84/971606984.db2.gz BAVOVFDWSFLDRW-HDJSIYSDSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480387274 971697393 /nfs/dbraw/zinc/69/73/93/971697393.db2.gz QGDLXDLKLZPRNM-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001480410507 971706970 /nfs/dbraw/zinc/70/69/70/971706970.db2.gz LVHSETSVFKHLTQ-QQFBHYJXSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001278678088 951609489 /nfs/dbraw/zinc/60/94/89/951609489.db2.gz NJCLPTXDMAPIPY-KRWDZBQOSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001324832854 953600574 /nfs/dbraw/zinc/60/05/74/953600574.db2.gz JZGQGHVSKFFENN-MRXNPFEDSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001325454316 953910397 /nfs/dbraw/zinc/91/03/97/953910397.db2.gz FCFJWFBBVDYXMO-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001569173442 1169701609 /nfs/dbraw/zinc/70/16/09/1169701609.db2.gz FPXAKCAPEOWTFQ-JKSUJKDBSA-N 2 0 291.439 1.370 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001493231573 971991331 /nfs/dbraw/zinc/99/13/31/971991331.db2.gz XQEIAQROGVNSCC-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001326522519 954417700 /nfs/dbraw/zinc/41/77/00/954417700.db2.gz WLKAVGJQMYSGBL-KLHDSHLOSA-N 2 0 291.439 1.224 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCC1 ZINC001326897878 954607291 /nfs/dbraw/zinc/60/72/91/954607291.db2.gz CVKVTSJVYCKBID-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001316660928 954923530 /nfs/dbraw/zinc/92/35/30/954923530.db2.gz WUEHCURDKMSTBH-LSDHHAIUSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001328281414 955251531 /nfs/dbraw/zinc/25/15/31/955251531.db2.gz CPKMQWFPSPPFDF-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001328435952 955294512 /nfs/dbraw/zinc/29/45/12/955294512.db2.gz CYQOZPMVVJNDDZ-AWEZNQCLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001495870924 955415259 /nfs/dbraw/zinc/41/52/59/955415259.db2.gz LVBSSRKNDQSHAL-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001328875176 955529630 /nfs/dbraw/zinc/52/96/30/955529630.db2.gz BIHKRVDKEFWSOZ-NRXISQOPSA-N 2 0 281.444 1.633 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001329460656 955928447 /nfs/dbraw/zinc/92/84/47/955928447.db2.gz RFVDVDIPCPLBLN-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001329473309 955936326 /nfs/dbraw/zinc/93/63/26/955936326.db2.gz YDTMAGJSTYHDLE-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001331327345 956972268 /nfs/dbraw/zinc/97/22/68/956972268.db2.gz YWZUDWHHMFRZTP-HNNXBMFYSA-N 2 0 293.455 1.424 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001331576999 957148664 /nfs/dbraw/zinc/14/86/64/957148664.db2.gz ZCLNFIBTWKUWTD-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001317091876 957264797 /nfs/dbraw/zinc/26/47/97/957264797.db2.gz MFWUNWHZBULHNV-JOCQHMNTSA-N 2 0 276.384 1.464 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001317148918 957307531 /nfs/dbraw/zinc/30/75/31/957307531.db2.gz FYFYTOBIQWGELO-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001317220983 957351294 /nfs/dbraw/zinc/35/12/94/957351294.db2.gz QPHHJPPFZSKRQE-GPANFISMSA-N 2 0 293.455 1.613 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001332422969 957558938 /nfs/dbraw/zinc/55/89/38/957558938.db2.gz KFKBXXDIRKTLOO-HUUCEWRRSA-N 2 0 293.455 1.423 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317656169 957625435 /nfs/dbraw/zinc/62/54/35/957625435.db2.gz VSAADDJBZOBZPL-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317831754 957683342 /nfs/dbraw/zinc/68/33/42/957683342.db2.gz WNFXZQVOGFIBJM-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001317950281 957830074 /nfs/dbraw/zinc/83/00/74/957830074.db2.gz SASYUKOABIGLQO-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001318127844 957934302 /nfs/dbraw/zinc/93/43/02/957934302.db2.gz CVRBLRCMMBPFNW-UHFFFAOYSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001333131515 958093171 /nfs/dbraw/zinc/09/31/71/958093171.db2.gz WFCWFPGUHXLXEN-UHFFFAOYSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001318976949 958326392 /nfs/dbraw/zinc/32/63/92/958326392.db2.gz SOECFBCJMXYFTP-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001318978645 958328106 /nfs/dbraw/zinc/32/81/06/958328106.db2.gz GNTPRTAEGBOVQY-KKUMJFAQSA-N 2 0 281.444 1.776 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001319103039 958376496 /nfs/dbraw/zinc/37/64/96/958376496.db2.gz FCDLDPGUYXHONA-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001319926908 958794031 /nfs/dbraw/zinc/79/40/31/958794031.db2.gz DVMXEKIVAKOWMN-CQSZACIVSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320548172 959233487 /nfs/dbraw/zinc/23/34/87/959233487.db2.gz JPANIHGVKFFCJP-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001320752279 959368418 /nfs/dbraw/zinc/36/84/18/959368418.db2.gz JMQKHOMMXSFENF-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001320929588 959462732 /nfs/dbraw/zinc/46/27/32/959462732.db2.gz SLKBXGCIFTXNLE-UHFFFAOYSA-N 2 0 287.407 1.433 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001495280790 972464054 /nfs/dbraw/zinc/46/40/54/972464054.db2.gz JNNGHHXUEDACJM-QGZVFWFLSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001321878952 960000402 /nfs/dbraw/zinc/00/04/02/960000402.db2.gz VXEZLMBURROSBJ-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001322197103 960129989 /nfs/dbraw/zinc/12/99/89/960129989.db2.gz QMMUABXNSDUTDF-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418640112 960831244 /nfs/dbraw/zinc/83/12/44/960831244.db2.gz PQHUNQQJQGROHM-TXEJJXNPSA-N 2 0 273.808 1.175 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001419949313 962273072 /nfs/dbraw/zinc/27/30/72/962273072.db2.gz XQCKHNIDXVKXPL-CHWSQXEVSA-N 2 0 289.851 1.810 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001420079307 962453955 /nfs/dbraw/zinc/45/39/55/962453955.db2.gz KQSBYSSQIKKYCU-JSGCOSHPSA-N 2 0 299.846 1.565 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001342449799 963743527 /nfs/dbraw/zinc/74/35/27/963743527.db2.gz UMFZKBQGNFCVDE-JHJVBQTASA-N 2 0 253.390 1.113 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC001342556277 963764467 /nfs/dbraw/zinc/76/44/67/963764467.db2.gz RRPIBPZVSATWFD-RCWTZXSCSA-N 2 0 259.781 1.054 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001343015951 963885653 /nfs/dbraw/zinc/88/56/53/963885653.db2.gz XOMUIKUBIIGXFO-DYEKYZERSA-N 2 0 251.374 1.010 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH2+]C ZINC001344549306 964351303 /nfs/dbraw/zinc/35/13/03/964351303.db2.gz ZAYBRQRBMMIGHU-OLZOCXBDSA-N 2 0 253.390 1.271 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CCC[NH2+]1 ZINC001345140293 964595778 /nfs/dbraw/zinc/59/57/78/964595778.db2.gz XXXGXMZSVGZKED-HOTGVXAUSA-N 2 0 277.412 1.429 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001442079564 964858525 /nfs/dbraw/zinc/85/85/25/964858525.db2.gz GGGKYZALZJKRSU-BBRMVZONSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCN(C(=O)[C@H](C)n1ccnc1)C1CC[NH+](C)CC1 ZINC001351820954 967005701 /nfs/dbraw/zinc/00/57/01/967005701.db2.gz LUFSRDLLCNSOKA-ZDUSSCGKSA-N 2 0 274.368 1.000 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001528626720 968893315 /nfs/dbraw/zinc/89/33/15/968893315.db2.gz FASFMIHEPHFQKV-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)CCC[NH2+]1 ZINC001356412460 969392117 /nfs/dbraw/zinc/39/21/17/969392117.db2.gz JRAOIAPEUSDFFN-HLPPOEQASA-N 2 0 277.412 1.141 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)CCC[NH2+]1 ZINC001356412458 969392282 /nfs/dbraw/zinc/39/22/82/969392282.db2.gz JRAOIAPEUSDFFN-DSJMHWKBSA-N 2 0 277.412 1.141 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC001357397485 969582867 /nfs/dbraw/zinc/58/28/67/969582867.db2.gz RHSIEXQCJYWOBN-UHFFFAOYSA-N 2 0 263.385 1.038 10 30 CDEERP C=CCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001569652955 1169952772 /nfs/dbraw/zinc/95/27/72/1169952772.db2.gz CBKZVBZUDILLLD-GOEBONIOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001496297923 972878246 /nfs/dbraw/zinc/87/82/46/972878246.db2.gz XXTZLLJKGQNPFZ-UONOGXRCSA-N 2 0 267.417 1.245 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001496576884 972978950 /nfs/dbraw/zinc/97/89/50/972978950.db2.gz ZTHDOAYCDSHGAH-OAHLLOKOSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001497728684 973480388 /nfs/dbraw/zinc/48/03/88/973480388.db2.gz BVNVMJWLCGMAIW-FVNWOWOISA-N 2 0 299.418 1.575 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001497910786 973574145 /nfs/dbraw/zinc/57/41/45/973574145.db2.gz QAAKXGNFHKJEPA-CYBMUJFWSA-N 2 0 269.433 1.635 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001501083405 974529721 /nfs/dbraw/zinc/52/97/21/974529721.db2.gz IAHHCIUNYJTZNJ-GJZGRUSLSA-N 2 0 291.439 1.485 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001501999981 974672463 /nfs/dbraw/zinc/67/24/63/974672463.db2.gz PBCLHWOOMANFMT-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCC1 ZINC001502017716 974676057 /nfs/dbraw/zinc/67/60/57/974676057.db2.gz SNQPEYJKMMKOEL-LBPRGKRZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001505733262 974976789 /nfs/dbraw/zinc/97/67/89/974976789.db2.gz QSXJLDIXWQWTAN-KGLIPLIRSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001505761199 974985272 /nfs/dbraw/zinc/98/52/72/974985272.db2.gz RCTAWNULZKEJIU-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001506859388 975237474 /nfs/dbraw/zinc/23/74/74/975237474.db2.gz UMNQLHPACPNAQA-XHSDSOJGSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001506960939 975276837 /nfs/dbraw/zinc/27/68/37/975276837.db2.gz GJQHBXLVXITRKW-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001389960600 976064698 /nfs/dbraw/zinc/06/46/98/976064698.db2.gz PQYZICKKCWMZKB-TXEJJXNPSA-N 2 0 285.819 1.460 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001674411323 1173939981 /nfs/dbraw/zinc/93/99/81/1173939981.db2.gz XYOBMRAANQVEAN-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCC1 ZINC001570122158 1170086552 /nfs/dbraw/zinc/08/65/52/1170086552.db2.gz DACCHWNDYWOFAZ-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001570543316 1170184797 /nfs/dbraw/zinc/18/47/97/1170184797.db2.gz GFBJBPDRIDPEIW-LSDHHAIUSA-N 2 0 281.444 1.681 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001570609134 1170210613 /nfs/dbraw/zinc/21/06/13/1170210613.db2.gz XSRVMKNKRPIVQN-NWDGAFQWSA-N 2 0 253.390 1.140 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001570715920 1170250792 /nfs/dbraw/zinc/25/07/92/1170250792.db2.gz JVPWCWUYZNOYEB-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001571408323 1170416774 /nfs/dbraw/zinc/41/67/74/1170416774.db2.gz PGKJZFMIKBQIEV-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[N@H+]1CC=C(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001571697022 1170527965 /nfs/dbraw/zinc/52/79/65/1170527965.db2.gz MYPIJOGHRCLKGU-UHFFFAOYSA-N 2 0 289.423 1.100 10 30 CDEERP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)CC1(C#N)CC1 ZINC000599300072 343998671 /nfs/dbraw/zinc/99/86/71/343998671.db2.gz MGOSJEXGNRECJE-GJZGRUSLSA-N 2 0 279.428 1.847 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000594450046 342909630 /nfs/dbraw/zinc/90/96/30/342909630.db2.gz RKLMUWLHRLTGGY-CQSZACIVSA-N 2 0 274.368 1.173 10 30 CDEERP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000600719848 342244572 /nfs/dbraw/zinc/24/45/72/342244572.db2.gz KXNUBEIHLWUXTR-GXTWGEPZSA-N 2 0 263.385 1.115 10 30 CDEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000595060962 343000995 /nfs/dbraw/zinc/00/09/95/343000995.db2.gz JEQLUKBOJFHBNH-JYJNAYRXSA-N 2 0 280.460 1.930 10 30 CDEERP N#Cc1ccc(N2CCC([NH2+]CC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000596653495 343371758 /nfs/dbraw/zinc/37/17/58/343371758.db2.gz LDYKZDGDZJYQHZ-UHFFFAOYSA-N 2 0 296.418 1.869 10 30 CDEERP Cc1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)cc1C#N ZINC000600707628 349876193 /nfs/dbraw/zinc/87/61/93/349876193.db2.gz CRBYECASJRAUOI-UHFFFAOYSA-N 2 0 259.353 1.152 10 30 CDEERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(C#N)cc1F ZINC000600712479 349876935 /nfs/dbraw/zinc/87/69/35/349876935.db2.gz XQEQWEGKKFBDNK-LLVKDONJSA-N 2 0 265.332 1.713 10 30 CDEERP C[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000600714042 349877133 /nfs/dbraw/zinc/87/71/33/349877133.db2.gz OMVHVEAEIORUDF-KBXCAEBGSA-N 2 0 298.434 1.863 10 30 CDEERP C[C@H]1CN(C)C[C@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809516 346440775 /nfs/dbraw/zinc/44/07/75/346440775.db2.gz DVDZZZAKORASID-XJKSGUPXSA-N 2 0 299.422 1.462 10 30 CDEERP C[C@H](Cn1ccnc1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000342709132 356128365 /nfs/dbraw/zinc/12/83/65/356128365.db2.gz JMBHFABHTISABQ-GFCCVEGCSA-N 2 0 280.335 1.581 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001662350743 1172534024 /nfs/dbraw/zinc/53/40/24/1172534024.db2.gz NWHURDYKIOLRLV-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001662872516 1172605505 /nfs/dbraw/zinc/60/55/05/1172605505.db2.gz NYVARLGLSRBONS-HUUCEWRRSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001662899068 1172612107 /nfs/dbraw/zinc/61/21/07/1172612107.db2.gz PPBJGZYHHGGSTH-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001663014244 1172628296 /nfs/dbraw/zinc/62/82/96/1172628296.db2.gz PTTWQRGGOJUMLT-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CCCC[N@@H+](CC)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001663447497 1172696852 /nfs/dbraw/zinc/69/68/52/1172696852.db2.gz NEDRGCXVVAVNOP-KRWDZBQOSA-N 2 0 293.455 1.877 10 30 CDEERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1nc(C#N)cs1 ZINC000352841124 155476288 /nfs/dbraw/zinc/47/62/88/155476288.db2.gz NPIGMFSEXWXTLT-GFCCVEGCSA-N 2 0 282.413 1.461 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[N@@H+](C)CCCC)CCC[NH2+]1 ZINC000662701811 413348409 /nfs/dbraw/zinc/34/84/09/413348409.db2.gz SLLNQALCZWDPMP-HNNXBMFYSA-N 2 0 267.417 1.533 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCC[NH2+]1 ZINC000662718677 413374453 /nfs/dbraw/zinc/37/44/53/413374453.db2.gz RJKNAVSIGHLSLS-NVXWUHKLSA-N 2 0 291.439 1.772 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662845555 413599013 /nfs/dbraw/zinc/59/90/13/413599013.db2.gz JKNFAPMMFPPJOU-YOEHRIQHSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[C@]1(C(=O)NCC[C@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000662860658 413622070 /nfs/dbraw/zinc/62/20/70/413622070.db2.gz SWKLGJCAXABVLM-GXTWGEPZSA-N 2 0 253.390 1.141 10 30 CDEERP C[NH+](C)C1CCN(Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043688918 175095795 /nfs/dbraw/zinc/09/57/95/175095795.db2.gz IIFAYEKYEYTWDO-UHFFFAOYSA-N 2 0 277.437 1.584 10 30 CDEERP C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C#CC[NH3+])c2)C1 ZINC000044560317 175204488 /nfs/dbraw/zinc/20/44/88/175204488.db2.gz IIAMSBGXTOQVFP-HNNXBMFYSA-N 2 0 285.391 1.068 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001666655912 1173167112 /nfs/dbraw/zinc/16/71/12/1173167112.db2.gz DVKXTWPEFSTYNC-RDJZCZTQSA-N 2 0 293.455 1.780 10 30 CDEERP C=CCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001667575133 1173291503 /nfs/dbraw/zinc/29/15/03/1173291503.db2.gz RIQKEJVQYKERMG-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]21 ZINC001667694077 1173311587 /nfs/dbraw/zinc/31/15/87/1173311587.db2.gz LOPLANZKKDGSED-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001668324441 1173396150 /nfs/dbraw/zinc/39/61/50/1173396150.db2.gz BEVBYQAXABEDGA-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCCC[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001671672036 1173701412 /nfs/dbraw/zinc/70/14/12/1173701412.db2.gz CZEIEIICOFOLGD-DOTOQJQBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482115692 1159984013 /nfs/dbraw/zinc/98/40/13/1159984013.db2.gz OVBAJRXPASACIN-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001701007229 1177237555 /nfs/dbraw/zinc/23/75/55/1177237555.db2.gz UOJWZVJJGSUKBA-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001483016377 1160666244 /nfs/dbraw/zinc/66/62/44/1160666244.db2.gz COOXAOKSHLWNRV-SQRWCISFSA-N 2 0 289.423 1.289 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001483337630 1160907347 /nfs/dbraw/zinc/90/73/47/1160907347.db2.gz MVNAARJTTHETAG-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940617287 613522531 /nfs/dbraw/zinc/52/25/31/613522531.db2.gz IFPPBUKEQKKOAP-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621153 613746364 /nfs/dbraw/zinc/74/63/64/613746364.db2.gz PDJOKEAYNBIHQF-ZIAGYGMSSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000900685907 623372872 /nfs/dbraw/zinc/37/28/72/623372872.db2.gz BONMHWQOENWBOA-UHFFFAOYSA-N 2 0 267.417 1.295 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000900823063 623527807 /nfs/dbraw/zinc/52/78/07/623527807.db2.gz SIOJMCDXMIPSTJ-HUUCEWRRSA-N 2 0 281.444 1.683 10 30 CDEERP Cc1cc(C#N)cc(C)c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000921768997 633282331 /nfs/dbraw/zinc/28/23/31/633282331.db2.gz FODVEWXXFAUUDG-UHFFFAOYSA-N 2 0 287.407 1.721 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001627276578 1158448124 /nfs/dbraw/zinc/44/81/24/1158448124.db2.gz WEXFFEZECVTNHQ-XHSDSOJGSA-N 2 0 293.455 1.968 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2ccnc2C)C1 ZINC001691126848 1158923225 /nfs/dbraw/zinc/92/32/25/1158923225.db2.gz ZUVVXWBYXBSYIO-OKILXGFUSA-N 2 0 276.384 1.252 10 30 CDEERP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001691305861 1159008597 /nfs/dbraw/zinc/00/85/97/1159008597.db2.gz QASBRDSQUZWSAB-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000876768109 695184057 /nfs/dbraw/zinc/18/40/57/695184057.db2.gz DMJQRLUJBKLDET-KBPBESRZSA-N 2 0 299.846 1.933 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000876901102 695434884 /nfs/dbraw/zinc/43/48/84/695434884.db2.gz ZEXUAXMWFIRNLC-AVGNSLFASA-N 2 0 285.819 1.399 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CCC[NH2+]1 ZINC000877339463 695436707 /nfs/dbraw/zinc/43/67/07/695436707.db2.gz ANPKQNBTVFGRCP-AEFFLSMTSA-N 2 0 299.418 1.515 10 30 CDEERP C#C[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000847023489 695670818 /nfs/dbraw/zinc/67/08/18/695670818.db2.gz CQVLFERVYNTUHF-OAHLLOKOSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000876749661 695856732 /nfs/dbraw/zinc/85/67/32/695856732.db2.gz CBCLAQPYBYXHCX-XQQFMLRXSA-N 2 0 287.835 1.835 10 30 CDEERP C#C[C@@H]([NH2+]C1CC[NH+](CCC)CC1)C1CCOCC1 ZINC000827564754 695887845 /nfs/dbraw/zinc/88/78/45/695887845.db2.gz FZEKNVOBZWHNQY-MRXNPFEDSA-N 2 0 264.413 1.879 10 30 CDEERP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000923413759 695993120 /nfs/dbraw/zinc/99/31/20/695993120.db2.gz GUPVYRTVWJWCEB-IXDOHACOSA-N 2 0 285.391 1.666 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000876771594 696055238 /nfs/dbraw/zinc/05/52/38/696055238.db2.gz UELZZJJUSCNCCX-QWHCGFSZSA-N 2 0 285.819 1.401 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000870257843 696208812 /nfs/dbraw/zinc/20/88/12/696208812.db2.gz DRMCGGVECXOXNV-UHFFFAOYSA-N 2 0 279.428 1.581 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001485173825 1161272726 /nfs/dbraw/zinc/27/27/26/1161272726.db2.gz HSDOBHLTTNESLC-LSDHHAIUSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001691660921 1161441732 /nfs/dbraw/zinc/44/17/32/1161441732.db2.gz IWTYHLVPWDQPBD-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1CCCCC1 ZINC000878001653 1166129374 /nfs/dbraw/zinc/12/93/74/1166129374.db2.gz XEJDPHBXGHEUAL-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001566928133 1166843981 /nfs/dbraw/zinc/84/39/81/1166843981.db2.gz ABXUKZKUSHOIJY-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC001646166795 1167675083 /nfs/dbraw/zinc/67/50/83/1167675083.db2.gz BFVUATSIXFKWEO-CYBMUJFWSA-N 2 0 299.846 1.933 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001565994244 1168209816 /nfs/dbraw/zinc/20/98/16/1168209816.db2.gz CIRIZZXFAFQLMO-KBMXLJTQSA-N 2 0 293.455 1.729 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001566951268 1168478195 /nfs/dbraw/zinc/47/81/95/1168478195.db2.gz FQHKYFZYTUNZML-HNNXBMFYSA-N 2 0 291.439 1.629 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001566953129 1168478672 /nfs/dbraw/zinc/47/86/72/1168478672.db2.gz UEAOLTYRZCVULA-CQSZACIVSA-N 2 0 265.401 1.239 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567743143 1168944932 /nfs/dbraw/zinc/94/49/32/1168944932.db2.gz VUSRRPGJYLAWLA-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001649461783 1169265587 /nfs/dbraw/zinc/26/55/87/1169265587.db2.gz HHEYQYCZBWSDLN-KGLIPLIRSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001568454467 1169296940 /nfs/dbraw/zinc/29/69/40/1169296940.db2.gz LBCRRHHBHLOCPP-OAHLLOKOSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001568470856 1169303976 /nfs/dbraw/zinc/30/39/76/1169303976.db2.gz XGLOSRRKBPVYJI-JKSUJKDBSA-N 2 0 293.455 1.470 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)Cc1c[nH]cn1)C1CCCC1 ZINC001569611421 1169936523 /nfs/dbraw/zinc/93/65/23/1169936523.db2.gz XISBOGFPYAQFKS-HNNXBMFYSA-N 2 0 288.395 1.240 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001569854710 1170018240 /nfs/dbraw/zinc/01/82/40/1170018240.db2.gz FCKXJIAMKPYMMY-LSDHHAIUSA-N 2 0 279.428 1.034 10 30 CDEERP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001569860781 1170020294 /nfs/dbraw/zinc/02/02/94/1170020294.db2.gz ARWGHNXZNCBHKA-MUJYYYPQSA-N 2 0 289.423 1.075 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001661832907 1172452142 /nfs/dbraw/zinc/45/21/42/1172452142.db2.gz RITPZVWEBKMTBA-OAHLLOKOSA-N 2 0 291.439 1.487 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001663523162 1172716286 /nfs/dbraw/zinc/71/62/86/1172716286.db2.gz HSUCWXYBBTZHRC-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001664452769 1172855617 /nfs/dbraw/zinc/85/56/17/1172855617.db2.gz VUGZSCODMPLSHK-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001667117971 1173236788 /nfs/dbraw/zinc/23/67/88/1173236788.db2.gz HWVHHYWICMEGDL-GJZGRUSLSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001673997035 1173904495 /nfs/dbraw/zinc/90/44/95/1173904495.db2.gz IPIKDISUHHBHSW-KRWDZBQOSA-N 2 0 291.439 1.629 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001674028760 1173908607 /nfs/dbraw/zinc/90/86/07/1173908607.db2.gz KJLLVZCSNGNFSE-HUUCEWRRSA-N 2 0 293.455 1.423 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001689960444 1175323866 /nfs/dbraw/zinc/32/38/66/1175323866.db2.gz MGNVTIKYFYJWBJ-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001690620837 1175526613 /nfs/dbraw/zinc/52/66/13/1175526613.db2.gz IEBGFVISWWWITR-KGLIPLIRSA-N 2 0 267.417 1.224 10 30 CDEERP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001690906850 1175608051 /nfs/dbraw/zinc/60/80/51/1175608051.db2.gz DABWODYZSRSLEU-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001691876062 1175643864 /nfs/dbraw/zinc/64/38/64/1175643864.db2.gz RSHNSQNRAISWRK-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001692169730 1175690705 /nfs/dbraw/zinc/69/07/05/1175690705.db2.gz LEAALXPLDINGMF-KFWWJZLASA-N 2 0 277.412 1.073 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001698769308 1175925262 /nfs/dbraw/zinc/92/52/62/1175925262.db2.gz YLRBZNUUIMHUIS-UONOGXRCSA-N 2 0 267.417 1.246 10 30 CDEERP C=CCCC[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001698787241 1175934084 /nfs/dbraw/zinc/93/40/84/1175934084.db2.gz CIVAWRPLAJFXTQ-OAHLLOKOSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001698803240 1175939407 /nfs/dbraw/zinc/93/94/07/1175939407.db2.gz LOLZFGJNEZDMNH-HUUCEWRRSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001698915899 1175983558 /nfs/dbraw/zinc/98/35/58/1175983558.db2.gz FOYTYIJZSZHPHH-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699310483 1176212101 /nfs/dbraw/zinc/21/21/01/1176212101.db2.gz YKQHDIKAHBURNC-MWWKQMNYSA-N 2 0 295.402 1.094 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699377239 1176335835 /nfs/dbraw/zinc/33/58/35/1176335835.db2.gz OXYFUOSIIPBYFS-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001699387764 1176346673 /nfs/dbraw/zinc/34/66/73/1176346673.db2.gz HEIHFNQRVBCMGJ-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001700128728 1176760839 /nfs/dbraw/zinc/76/08/39/1176760839.db2.gz QEODAIMEBCZZOT-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001700822083 1177150925 /nfs/dbraw/zinc/15/09/25/1177150925.db2.gz IRWSQPLTIMXUKK-HUUCEWRRSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001700901289 1177188787 /nfs/dbraw/zinc/18/87/87/1177188787.db2.gz KNSJYLOLEQEUDS-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)CC[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001713029903 1178314732 /nfs/dbraw/zinc/31/47/32/1178314732.db2.gz NGTIKACUEZKILI-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713208106 1178433266 /nfs/dbraw/zinc/43/32/66/1178433266.db2.gz BCFNIZSQRDVXQB-XHSDSOJGSA-N 2 0 291.439 1.367 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001713411630 1178544139 /nfs/dbraw/zinc/54/41/39/1178544139.db2.gz MHFLLPCFHHBMIW-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001713478191 1178594955 /nfs/dbraw/zinc/59/49/55/1178594955.db2.gz RXJOSELXRATVEE-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001713488012 1178603208 /nfs/dbraw/zinc/60/32/08/1178603208.db2.gz LIULUYVJELQCNA-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCCC[NH+]1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713878334 1178811593 /nfs/dbraw/zinc/81/15/93/1178811593.db2.gz XXWRCGQGADUILE-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713966431 1178899060 /nfs/dbraw/zinc/89/90/60/1178899060.db2.gz WJAYZXXJSINFNK-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001714043002 1178944122 /nfs/dbraw/zinc/94/41/22/1178944122.db2.gz KWTVFHCVNNKNFB-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ccnc1 ZINC001714119497 1178981639 /nfs/dbraw/zinc/98/16/39/1178981639.db2.gz IQAIZZCHJCJBOK-AWEZNQCLSA-N 2 0 276.384 1.430 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001714214956 1179023060 /nfs/dbraw/zinc/02/30/60/1179023060.db2.gz UWJWWZDVCAJCGI-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001714306307 1179077059 /nfs/dbraw/zinc/07/70/59/1179077059.db2.gz VHRMBIPSCYTLJV-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715190465 1179573082 /nfs/dbraw/zinc/57/30/82/1179573082.db2.gz LWRBNHYDBFIGSC-BZUAXINKSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]Cc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001715198494 1179574784 /nfs/dbraw/zinc/57/47/84/1179574784.db2.gz YFLCKJRRBQWBOU-UHFFFAOYSA-N 2 0 299.418 1.674 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001715241776 1179593968 /nfs/dbraw/zinc/59/39/68/1179593968.db2.gz XFVFJJWFFNZDPX-CYBMUJFWSA-N 2 0 298.390 1.622 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001715272747 1179604784 /nfs/dbraw/zinc/60/47/84/1179604784.db2.gz QYPZCQAGUDSZSI-MRXNPFEDSA-N 2 0 293.455 1.618 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001715684209 1179763405 /nfs/dbraw/zinc/76/34/05/1179763405.db2.gz LAINLOMBLFIFPF-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001715990792 1179967283 /nfs/dbraw/zinc/96/72/83/1179967283.db2.gz CZVORRTXPSGTHR-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001716073659 1180030862 /nfs/dbraw/zinc/03/08/62/1180030862.db2.gz PBNXYJGAIOLFFR-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001716417652 1180195077 /nfs/dbraw/zinc/19/50/77/1180195077.db2.gz JFOGQROGQHVKHL-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001716765626 1180406090 /nfs/dbraw/zinc/40/60/90/1180406090.db2.gz XUEKYJIRUCBUHE-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001717152749 1180551468 /nfs/dbraw/zinc/55/14/68/1180551468.db2.gz HKVKATPPLFSDBW-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001723572286 1181588194 /nfs/dbraw/zinc/58/81/94/1181588194.db2.gz WNEJVFQWZWQHSV-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001723581458 1181589755 /nfs/dbraw/zinc/58/97/55/1181589755.db2.gz QOQNISQIYANWIP-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001724175267 1181648463 /nfs/dbraw/zinc/64/84/63/1181648463.db2.gz MHUJXJMVRLVJPA-QGZVFWFLSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001724204954 1181653583 /nfs/dbraw/zinc/65/35/83/1181653583.db2.gz QAGQNAXWRJZYGC-HOCLYGCPSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001725047100 1181835198 /nfs/dbraw/zinc/83/51/98/1181835198.db2.gz LCZZCXLJKHTJOI-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001725059754 1181838719 /nfs/dbraw/zinc/83/87/19/1181838719.db2.gz SGEDGHBKOQWEFU-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001725197709 1181920387 /nfs/dbraw/zinc/92/03/87/1181920387.db2.gz VDGQUAUUZPGWFW-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001725259262 1181942503 /nfs/dbraw/zinc/94/25/03/1181942503.db2.gz ZXKCIEBHRCQZEN-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001725357053 1181970924 /nfs/dbraw/zinc/97/09/24/1181970924.db2.gz PFVQBVBDKZKHRN-KLHDSHLOSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001725363935 1181974720 /nfs/dbraw/zinc/97/47/20/1181974720.db2.gz HGOOVYIODYBPCJ-VGWMRTNUSA-N 2 0 293.455 1.777 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001725636359 1182079120 /nfs/dbraw/zinc/07/91/20/1182079120.db2.gz QWQBQAFNOKFEMX-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001725636347 1182079915 /nfs/dbraw/zinc/07/99/15/1182079915.db2.gz QWQBQAFNOKFEMX-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001725660485 1182089588 /nfs/dbraw/zinc/08/95/88/1182089588.db2.gz OHLSIKMRNVIJRO-KBPBESRZSA-N 2 0 265.401 1.143 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001731293646 1182298432 /nfs/dbraw/zinc/29/84/32/1182298432.db2.gz BWMRXWFMVDKDFP-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)C[NH+]1CCCC1 ZINC001731323633 1182317223 /nfs/dbraw/zinc/31/72/23/1182317223.db2.gz DFSBKTSWGHLYRG-UHFFFAOYSA-N 2 0 253.390 1.096 10 30 CDEERP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001731386611 1182349279 /nfs/dbraw/zinc/34/92/79/1182349279.db2.gz VYRDMHFPHCFGAQ-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001731385967 1182349592 /nfs/dbraw/zinc/34/95/92/1182349592.db2.gz PNMRSSKKDCURMR-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001731561143 1182447722 /nfs/dbraw/zinc/44/77/22/1182447722.db2.gz ZHTSMEKRQLSERB-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001731724346 1182533896 /nfs/dbraw/zinc/53/38/96/1182533896.db2.gz YNAAWPJPWXZVKU-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001732051411 1182740511 /nfs/dbraw/zinc/74/05/11/1182740511.db2.gz UBUZZMYFHUACQH-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[C@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC001732151104 1182808328 /nfs/dbraw/zinc/80/83/28/1182808328.db2.gz YDWIQWJUAOKWDV-JYJNAYRXSA-N 2 0 293.455 1.966 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001732184106 1182838061 /nfs/dbraw/zinc/83/80/61/1182838061.db2.gz DDGGQVQBHVADRZ-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732436509 1182965462 /nfs/dbraw/zinc/96/54/62/1182965462.db2.gz JQYVFFBAUSKSJS-BBRMVZONSA-N 2 0 299.434 1.821 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001732501699 1182990621 /nfs/dbraw/zinc/99/06/21/1182990621.db2.gz VBDJNVFUYZWOPV-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001732502900 1182991219 /nfs/dbraw/zinc/99/12/19/1182991219.db2.gz XKCGNIOGYPGGDB-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001732533459 1182998773 /nfs/dbraw/zinc/99/87/73/1182998773.db2.gz SDKCESBQSSZXAY-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001732981323 1183217343 /nfs/dbraw/zinc/21/73/43/1183217343.db2.gz RHTQXNVXZFRCDN-HIFRSBDPSA-N 2 0 265.401 1.143 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001733171193 1183315651 /nfs/dbraw/zinc/31/56/51/1183315651.db2.gz BHVZFXLHTWQCHI-OAHLLOKOSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001733534196 1183458863 /nfs/dbraw/zinc/45/88/63/1183458863.db2.gz CFIYVTDUAUVBKZ-GDBMZVCRSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001733603368 1183476754 /nfs/dbraw/zinc/47/67/54/1183476754.db2.gz NTIWDMRMWPYVKR-JKSUJKDBSA-N 2 0 291.439 1.415 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001733654864 1183490975 /nfs/dbraw/zinc/49/09/75/1183490975.db2.gz MSDMAMDHMNGIGZ-OAHLLOKOSA-N 2 0 289.423 1.076 10 30 CDEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001733857305 1183552330 /nfs/dbraw/zinc/55/23/30/1183552330.db2.gz IVHUSYSDURXMQU-LSDHHAIUSA-N 2 0 291.439 1.485 10 30 CDEERP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001734023745 1183616855 /nfs/dbraw/zinc/61/68/55/1183616855.db2.gz NZAVGHODBQYDNU-HNNXBMFYSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001734118466 1183664687 /nfs/dbraw/zinc/66/46/87/1183664687.db2.gz YCDXYBZKTFUJQI-AWEZNQCLSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001734125962 1183667898 /nfs/dbraw/zinc/66/78/98/1183667898.db2.gz NTQBVSODCSPVGR-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001734345778 1183741778 /nfs/dbraw/zinc/74/17/78/1183741778.db2.gz WQMRZANYSKWZPJ-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001734576083 1183831522 /nfs/dbraw/zinc/83/15/22/1183831522.db2.gz LHPSNVROVMRHSB-OLZOCXBDSA-N 2 0 267.417 1.245 10 30 CDEERP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])NCC1CCC1 ZINC000261964119 724414291 /nfs/dbraw/zinc/41/42/91/724414291.db2.gz AJEKCNVLZDSBSI-LBPRGKRZSA-N 2 0 252.406 1.565 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000876967323 723713542 /nfs/dbraw/zinc/71/35/42/723713542.db2.gz FBUVVPIEUZGDBS-TZMCWYRMSA-N 2 0 299.846 1.980 10 30 CDEERP C=CC[C@@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000878247890 723740461 /nfs/dbraw/zinc/74/04/61/723740461.db2.gz LAHFUWRUQRUPOG-CABCVRRESA-N 2 0 251.418 1.663 10 30 CDEERP C[C@@H]1CC(=O)[C@@](C)([N+]2(C)CCCCC2)C[N+]1(C)C ZINC000002034555 717093556 /nfs/dbraw/zinc/09/35/56/717093556.db2.gz QSIWBFWQWCYEQE-HIFRSBDPSA-N 2 0 254.418 1.813 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000876806183 723884581 /nfs/dbraw/zinc/88/45/81/723884581.db2.gz MGORZYZARDEQHE-NSHDSACASA-N 2 0 259.781 1.009 10 30 CDEERP C=CCNC(=O)C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156688 724045603 /nfs/dbraw/zinc/04/56/03/724045603.db2.gz CJHUCFZRRIOULS-GDBMZVCRSA-N 2 0 293.455 1.908 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000877192652 724094376 /nfs/dbraw/zinc/09/43/76/724094376.db2.gz RKXFJCUCHLXWPV-CYBMUJFWSA-N 2 0 299.846 1.791 10 30 CDEERP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867976716 723739871 /nfs/dbraw/zinc/73/98/71/723739871.db2.gz RQEUIOPKASYBAV-LSDHHAIUSA-N 2 0 298.390 1.002 10 30 CDEERP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1C#N ZINC000723907154 723770358 /nfs/dbraw/zinc/77/03/58/723770358.db2.gz JIFWRTPOIILPKY-IUODEOHRSA-N 2 0 273.380 1.984 10 30 CDEERP N#Cc1ccc(OCCN2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931512694 725171455 /nfs/dbraw/zinc/17/14/55/725171455.db2.gz RTCHSKAFWHPZDM-UHFFFAOYSA-N 2 0 294.358 1.973 10 30 CDEERP C#CCCCCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710570122 725223462 /nfs/dbraw/zinc/22/34/62/725223462.db2.gz GXDSJUHOGARHEP-UHFFFAOYSA-N 2 0 252.402 1.569 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000876774600 725242781 /nfs/dbraw/zinc/24/27/81/725242781.db2.gz AWZZBSPAOFLNGD-KBPBESRZSA-N 2 0 299.846 1.647 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000877145319 725350770 /nfs/dbraw/zinc/35/07/70/725350770.db2.gz FIUUPQIMJMKMKL-NEPJUHHUSA-N 2 0 271.792 1.009 10 30 CDEERP C=C(Cl)CNC(N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)=[NH+]C ZINC000262019996 725373935 /nfs/dbraw/zinc/37/39/35/725373935.db2.gz YPAOYXDTRYLGRA-CMPLNLGQSA-N 2 0 272.824 1.633 10 30 CDEERP C=CC[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000625702356 725413200 /nfs/dbraw/zinc/41/32/00/725413200.db2.gz XVJZYJSPSLAQDN-HNNXBMFYSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000876787057 725443635 /nfs/dbraw/zinc/44/36/35/725443635.db2.gz FMOSHEJQKFFZQF-OLZOCXBDSA-N 2 0 285.819 1.447 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000876725796 725652023 /nfs/dbraw/zinc/65/20/23/725652023.db2.gz XRYNULZSKNWSNH-GFCCVEGCSA-N 2 0 273.808 1.257 10 30 CDEERP CC[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N[C@@H]1C[C@H]1C ZINC000262814487 725893660 /nfs/dbraw/zinc/89/36/60/725893660.db2.gz OQMYZVIPNJINNB-HZSPNIEDSA-N 2 0 266.433 1.824 10 30 CDEERP CC1(C)C[C@@H]([NH2+]CCNc2ccc(C#N)cn2)C[C@@H]([NH3+])C1 ZINC000925893189 726007187 /nfs/dbraw/zinc/00/71/87/726007187.db2.gz MOSNOTZABSUYTA-KGLIPLIRSA-N 2 0 287.411 1.861 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000876712690 726008291 /nfs/dbraw/zinc/00/82/91/726008291.db2.gz SWCRECRGJJUVDY-GFCCVEGCSA-N 2 0 273.808 1.449 10 30 CDEERP C=CCCC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001566516139 1168318923 /nfs/dbraw/zinc/31/89/23/1168318923.db2.gz AIOYLLOCUCTLGC-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[N@@H+](CCCNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001566590728 1168349620 /nfs/dbraw/zinc/34/96/20/1168349620.db2.gz UVMWZNPENQCMNH-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[N@@H+](CCCNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001566596861 1168351282 /nfs/dbraw/zinc/35/12/82/1168351282.db2.gz UVMWZNPENQCMNH-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH+](CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001566600955 1168351754 /nfs/dbraw/zinc/35/17/54/1168351754.db2.gz RRGIMMSFBXJRDC-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001647383995 1168632975 /nfs/dbraw/zinc/63/29/75/1168632975.db2.gz LDKMMQLIHHBFBK-TZMCWYRMSA-N 2 0 285.819 1.449 10 30 CDEERP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001567266856 1168643198 /nfs/dbraw/zinc/64/31/98/1168643198.db2.gz QGYMPAHLLUDUIW-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001567334786 1168690174 /nfs/dbraw/zinc/69/01/74/1168690174.db2.gz ATOVIPYSILFBTQ-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001266495570 895058086 /nfs/dbraw/zinc/05/80/86/895058086.db2.gz PDVAZUIMSOPRKR-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001266550688 895325849 /nfs/dbraw/zinc/32/58/49/895325849.db2.gz BOCNXURCENPFDU-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001266984265 896497363 /nfs/dbraw/zinc/49/73/63/896497363.db2.gz WMACMNHDVVDWIU-AWEZNQCLSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267068493 896680100 /nfs/dbraw/zinc/68/01/00/896680100.db2.gz YAWVHNBHAJGEFN-UONOGXRCSA-N 2 0 267.417 1.197 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001267602324 898716404 /nfs/dbraw/zinc/71/64/04/898716404.db2.gz ZLTQFLMRHZCGHG-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267728869 899419757 /nfs/dbraw/zinc/41/97/57/899419757.db2.gz OUMZBMTUTNHVRH-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268004828 900257914 /nfs/dbraw/zinc/25/79/14/900257914.db2.gz IHKLKGBKGCBYLR-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001268254891 901679588 /nfs/dbraw/zinc/67/95/88/901679588.db2.gz GMEHUDHSRUGGGD-CABCVRRESA-N 2 0 281.444 1.683 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCCC[NH+](C)C ZINC001268285924 901749929 /nfs/dbraw/zinc/74/99/29/901749929.db2.gz BNABUGXGUQFZQG-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268412647 902023366 /nfs/dbraw/zinc/02/33/66/902023366.db2.gz YPGWBHCKMOMALI-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001481876528 902251571 /nfs/dbraw/zinc/25/15/71/902251571.db2.gz VVSUGMZKXSAUFB-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[N@@H+](CCOC)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001269644551 904006510 /nfs/dbraw/zinc/00/65/10/904006510.db2.gz MTRNMLKXOOGRBV-UHFFFAOYSA-N 2 0 297.443 1.064 10 30 CDEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001269943074 904225258 /nfs/dbraw/zinc/22/52/58/904225258.db2.gz HUDBUNZLSWHODS-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001271711416 906612569 /nfs/dbraw/zinc/61/25/69/906612569.db2.gz HINZDPCKIPQKGV-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001271836739 906879568 /nfs/dbraw/zinc/87/95/68/906879568.db2.gz CVIBCYCEAIQSQY-GJZGRUSLSA-N 2 0 279.428 1.245 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001482550515 907004766 /nfs/dbraw/zinc/00/47/66/907004766.db2.gz HCFDCQXZGIBJLP-HNNXBMFYSA-N 2 0 281.444 1.635 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)CCC ZINC001482696951 908292081 /nfs/dbraw/zinc/29/20/81/908292081.db2.gz YMBQAEUOWWIMLZ-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482887333 908460039 /nfs/dbraw/zinc/46/00/39/908460039.db2.gz AEJQUYKJUVUTAE-OLZOCXBDSA-N 2 0 287.835 1.565 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001273010074 921481895 /nfs/dbraw/zinc/48/18/95/921481895.db2.gz AIWCMDOYSAYKJA-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001483549551 911237877 /nfs/dbraw/zinc/23/78/77/911237877.db2.gz ITCHXDWOUBFQSO-ZIAGYGMSSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)C[NH2+]CCC1CCN(C(=O)Cn2ccnc2)CC1 ZINC001568099381 1169135991 /nfs/dbraw/zinc/13/59/91/1169135991.db2.gz KVTWJGIYFCRKHA-UHFFFAOYSA-N 2 0 290.411 1.678 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001484385309 915703411 /nfs/dbraw/zinc/70/34/11/915703411.db2.gz XWZSPUSONDPXSJ-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001484466235 915792626 /nfs/dbraw/zinc/79/26/26/915792626.db2.gz SKAUZLXGNKFJOV-HUUCEWRRSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(C)C[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001484769175 916163159 /nfs/dbraw/zinc/16/31/59/916163159.db2.gz PNNDYEWYVPNLGX-UHFFFAOYSA-N 2 0 269.433 1.683 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001485518050 917058470 /nfs/dbraw/zinc/05/84/70/917058470.db2.gz USWOPCVDNODMQX-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)C1 ZINC001485581678 917105544 /nfs/dbraw/zinc/10/55/44/917105544.db2.gz HZGUJUROZPDQDH-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH+]1CC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001568251633 1169197916 /nfs/dbraw/zinc/19/79/16/1169197916.db2.gz WGGKPGVSIHLKRC-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001272855363 919918086 /nfs/dbraw/zinc/91/80/86/919918086.db2.gz RVOQHSHDDRTGCF-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568300478 1169231826 /nfs/dbraw/zinc/23/18/26/1169231826.db2.gz RQQIECWUHVJPAX-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001486398714 920964644 /nfs/dbraw/zinc/96/46/44/920964644.db2.gz LTNFTLLPGXWXBK-CYBMUJFWSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001486420887 920995220 /nfs/dbraw/zinc/99/52/20/920995220.db2.gz ZYHHLTBMFYLMEX-UONOGXRCSA-N 2 0 281.444 1.326 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001491478789 936922468 /nfs/dbraw/zinc/92/24/68/936922468.db2.gz SQIHABKQLFRUDJ-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001488806166 926699394 /nfs/dbraw/zinc/69/93/94/926699394.db2.gz YSPIXIRDSUFOPE-FPCVCCKLSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001490775320 927338710 /nfs/dbraw/zinc/33/87/10/927338710.db2.gz AWUDIYDAYSKHAG-GJZGRUSLSA-N 2 0 279.428 1.295 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001274741057 931564189 /nfs/dbraw/zinc/56/41/89/931564189.db2.gz HKRKHXOTINQQGQ-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP N#Cc1ccc([C@H](O)CN2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931513734 933581088 /nfs/dbraw/zinc/58/10/88/933581088.db2.gz GNILZKGAMFPAJT-QGZVFWFLSA-N 2 0 294.358 1.627 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001280173462 942422001 /nfs/dbraw/zinc/42/20/01/942422001.db2.gz OTMMDWRJGUYQBY-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001282052882 942650140 /nfs/dbraw/zinc/65/01/40/942650140.db2.gz LXVBFKJWIAYACV-UHFFFAOYSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001283238037 942864576 /nfs/dbraw/zinc/86/45/76/942864576.db2.gz GBIWERWWANCGST-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001284025459 943052574 /nfs/dbraw/zinc/05/25/74/943052574.db2.gz KZPXHTSYTWDUEI-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001284059289 943068025 /nfs/dbraw/zinc/06/80/25/943068025.db2.gz WCKVDZJOFDYGBT-IIAWOOMASA-N 2 0 279.428 1.626 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001264400097 944126917 /nfs/dbraw/zinc/12/69/17/944126917.db2.gz UYXNESMKXJCMAC-XHSDSOJGSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001264703948 944167478 /nfs/dbraw/zinc/16/74/78/944167478.db2.gz KOJWKUSDYZYUBU-KFWWJZLASA-N 2 0 297.418 1.269 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001265092537 944227649 /nfs/dbraw/zinc/22/76/49/944227649.db2.gz RZQCEBYYJXLUPK-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265230632 944287134 /nfs/dbraw/zinc/28/71/34/944287134.db2.gz JHDSTPFMRVFOEN-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001265374884 944363520 /nfs/dbraw/zinc/36/35/20/944363520.db2.gz WRKHUNDPVHOYCG-INIZCTEOSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265436734 944387195 /nfs/dbraw/zinc/38/71/95/944387195.db2.gz NOZVQUIVOKTTDK-KBPBESRZSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001266069401 944664399 /nfs/dbraw/zinc/66/43/99/944664399.db2.gz VYSLCGHMTUOAHY-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266143767 944711294 /nfs/dbraw/zinc/71/12/94/944711294.db2.gz IOHCQGGGFNNVHT-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001266234684 944776641 /nfs/dbraw/zinc/77/66/41/944776641.db2.gz JBFBHKFJHFNNOQ-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001479371219 971314527 /nfs/dbraw/zinc/31/45/27/971314527.db2.gz JYANFZYJKAJCJC-SHTZXODSSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001479570050 971341118 /nfs/dbraw/zinc/34/11/18/971341118.db2.gz SDAPENQIZSQFJT-PMPSAXMXSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001278420981 947845876 /nfs/dbraw/zinc/84/58/76/947845876.db2.gz QUWXINNKDUMZHU-CQSZACIVSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001278422494 947875274 /nfs/dbraw/zinc/87/52/74/947875274.db2.gz DUJFANJUILAXRG-HUUCEWRRSA-N 2 0 297.443 1.108 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480057964 971558492 /nfs/dbraw/zinc/55/84/92/971558492.db2.gz BPOSNOCAGCTCNX-HIFRSBDPSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001480662150 971829588 /nfs/dbraw/zinc/82/95/88/971829588.db2.gz UGJHGLJJQNTSCI-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001480776184 971874294 /nfs/dbraw/zinc/87/42/94/971874294.db2.gz KVVMVEWUUGSVLG-CQSZACIVSA-N 2 0 293.455 1.757 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001324735342 953551119 /nfs/dbraw/zinc/55/11/19/953551119.db2.gz FYEAYMQAXZRSKV-ZBFHGGJFSA-N 2 0 299.434 1.681 10 30 CDEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001324826937 953596375 /nfs/dbraw/zinc/59/63/75/953596375.db2.gz TZOWJEXEXGUCSC-HOCLYGCPSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001328050587 955174236 /nfs/dbraw/zinc/17/42/36/955174236.db2.gz OSHWJQVHEKGKIY-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001491618077 955318307 /nfs/dbraw/zinc/31/83/07/955318307.db2.gz NSTLCCLEZVWBLQ-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001421668303 955463161 /nfs/dbraw/zinc/46/31/61/955463161.db2.gz XOQAZVJGTSLIQE-ZIAGYGMSSA-N 2 0 299.846 1.661 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001328859323 955516861 /nfs/dbraw/zinc/51/68/61/955516861.db2.gz PIXHLNWSLBUGMC-GPANFISMSA-N 2 0 293.455 1.920 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001317187175 955574770 /nfs/dbraw/zinc/57/47/70/955574770.db2.gz XSHUJQBAKRWRNR-OWCLPIDISA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001492044284 955594070 /nfs/dbraw/zinc/59/40/70/955594070.db2.gz TZMCHJYGXDHLST-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[N@@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C(C)C ZINC001493869598 972130895 /nfs/dbraw/zinc/13/08/95/972130895.db2.gz FMOADZRCUFGNPV-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP N#C[C@@H]1CC[C@@H]([NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001422429552 955997005 /nfs/dbraw/zinc/99/70/05/955997005.db2.gz ARDBIVUIPOBISF-HZPDHXFCSA-N 2 0 291.439 1.991 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001316823992 957051200 /nfs/dbraw/zinc/05/12/00/957051200.db2.gz NBKFQEDGXGQKKG-HNNXBMFYSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317038558 957221135 /nfs/dbraw/zinc/22/11/35/957221135.db2.gz FROWKPLGNJQHSR-INIZCTEOSA-N 2 0 293.455 1.522 10 30 CDEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001424501191 957254919 /nfs/dbraw/zinc/25/49/19/957254919.db2.gz XOARSMPNEOSDFS-UHFFFAOYSA-N 2 0 299.846 1.805 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317414308 957461654 /nfs/dbraw/zinc/46/16/54/957461654.db2.gz PZURITCGYBHMRU-HUUCEWRRSA-N 2 0 297.443 1.015 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001317861533 957697049 /nfs/dbraw/zinc/69/70/49/957697049.db2.gz BUDVWKDLJAENMR-INIZCTEOSA-N 2 0 291.439 1.276 10 30 CDEERP C=C(C)CC[NH+]1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001318057946 957884015 /nfs/dbraw/zinc/88/40/15/957884015.db2.gz RIWBTTGYFAPFSN-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001332960311 957974953 /nfs/dbraw/zinc/97/49/53/957974953.db2.gz JIULMAWOZXOPRL-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001318299667 958023517 /nfs/dbraw/zinc/02/35/17/958023517.db2.gz JYOPEAOTTATZLK-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001318356195 958056659 /nfs/dbraw/zinc/05/66/59/958056659.db2.gz VQCDMURXOQMAKC-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)CC[N@@H+](C)CC)cc1 ZINC001319006073 958334820 /nfs/dbraw/zinc/33/48/20/958334820.db2.gz ISEIQWJPHUYXOW-UHFFFAOYSA-N 2 0 287.407 1.367 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001319251371 958456461 /nfs/dbraw/zinc/45/64/61/958456461.db2.gz RSEOXIZRKKEBPX-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319644378 958672464 /nfs/dbraw/zinc/67/24/64/958672464.db2.gz ZCJNZLZYMHNAJA-CABCVRRESA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001319698164 958693317 /nfs/dbraw/zinc/69/33/17/958693317.db2.gz XCBBCBIPYHFMAM-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@H]21 ZINC001320110890 958945111 /nfs/dbraw/zinc/94/51/11/958945111.db2.gz IZHDBBBOQXMOMO-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001322183612 960124647 /nfs/dbraw/zinc/12/46/47/960124647.db2.gz SWTPAQHCHKKQSW-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[N@H+]2CCC(C)(C)C2)CCC[NH2+]1 ZINC001341536874 963454601 /nfs/dbraw/zinc/45/46/01/963454601.db2.gz RRZXOWKRJJIFMT-INIZCTEOSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2C[C@@H]([NH3+])C23CCC3)CCC[NH2+]1 ZINC001341555588 963462502 /nfs/dbraw/zinc/46/25/02/963462502.db2.gz WADMAJDVZQYWOA-LALPHHSUSA-N 2 0 263.385 1.071 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001354645850 968823730 /nfs/dbraw/zinc/82/37/30/968823730.db2.gz UQGCQTLABSKJSJ-MNOVXSKESA-N 2 0 275.343 1.031 10 30 CDEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](C(C)C)CC1 ZINC001569595973 1169932752 /nfs/dbraw/zinc/93/27/52/1169932752.db2.gz JGVJEAZKZCAJNG-UHFFFAOYSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001496370965 972900979 /nfs/dbraw/zinc/90/09/79/972900979.db2.gz XEMAPZPNLGMOBR-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001569654281 1169956542 /nfs/dbraw/zinc/95/65/42/1169956542.db2.gz FMSATRYZDYRIBM-MRXNPFEDSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497942932 973583478 /nfs/dbraw/zinc/58/34/78/973583478.db2.gz LSSXNKPXMWIOTC-CQSZACIVSA-N 2 0 287.407 1.479 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001498771378 974057381 /nfs/dbraw/zinc/05/73/81/974057381.db2.gz YFZORDVSISBDIT-HZPDHXFCSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCCC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001498860520 974084017 /nfs/dbraw/zinc/08/40/17/974084017.db2.gz RTESLJVFGDZYLN-HNNXBMFYSA-N 2 0 291.439 1.533 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001499105962 974186281 /nfs/dbraw/zinc/18/62/81/974186281.db2.gz CMLNSSQTTVRVHQ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001500347522 974425845 /nfs/dbraw/zinc/42/58/45/974425845.db2.gz HVZHKBMJALAWFW-RDJZCZTQSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001502780806 974783798 /nfs/dbraw/zinc/78/37/98/974783798.db2.gz GTSSCOWCWITYPN-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001506578418 975181837 /nfs/dbraw/zinc/18/18/37/975181837.db2.gz GSNFCPSUWQVPIM-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001506616396 975189719 /nfs/dbraw/zinc/18/97/19/975189719.db2.gz MWHIJKKRXRXERC-DZGCQCFKSA-N 2 0 297.418 1.126 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001507113304 975341801 /nfs/dbraw/zinc/34/18/01/975341801.db2.gz JWORLTLCASKVFR-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CC(C)C)CC1 ZINC001507160511 975358922 /nfs/dbraw/zinc/35/89/22/975358922.db2.gz DJRDBBVEADLTBF-OAHLLOKOSA-N 2 0 293.455 1.424 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001507854898 975550070 /nfs/dbraw/zinc/55/00/70/975550070.db2.gz NEPDPLCPWHTBOO-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+]CCOCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001508180920 975630064 /nfs/dbraw/zinc/63/00/64/975630064.db2.gz XKPLRUZSOBDYNM-OAHLLOKOSA-N 2 0 297.443 1.111 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001379250377 975729042 /nfs/dbraw/zinc/72/90/42/975729042.db2.gz ROWPAIVODIGFGY-CHWSQXEVSA-N 2 0 287.835 1.660 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001406354233 976147230 /nfs/dbraw/zinc/14/72/30/976147230.db2.gz PPFFQYTZYCXEQW-OLZOCXBDSA-N 2 0 287.835 1.706 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001402349577 976246823 /nfs/dbraw/zinc/24/68/23/976246823.db2.gz WWZBHBZKZLEFFH-LBPRGKRZSA-N 2 0 273.808 1.175 10 30 CDEERP C=CC[N@@H+](C)C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001676051864 1174178315 /nfs/dbraw/zinc/17/83/15/1174178315.db2.gz AURKUIJQYBXTPF-OAHLLOKOSA-N 2 0 299.434 1.775 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001570022477 1170060968 /nfs/dbraw/zinc/06/09/68/1170060968.db2.gz VKLYKGASDSOSTD-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001570715921 1170250526 /nfs/dbraw/zinc/25/05/26/1170250526.db2.gz JVPWCWUYZNOYEB-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001570851747 1170299648 /nfs/dbraw/zinc/29/96/48/1170299648.db2.gz HUSOEUVRTWBEJD-ZDUSSCGKSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[N@H+](C)CCN(C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001571614508 1170497089 /nfs/dbraw/zinc/49/70/89/1170497089.db2.gz JKCPGLBNLXBSJE-UHFFFAOYSA-N 2 0 293.455 1.520 10 30 CDEERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437663 342905847 /nfs/dbraw/zinc/90/58/47/342905847.db2.gz XAPTWPLTPJIUTI-HIFRSBDPSA-N 2 0 294.443 1.586 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000594438731 342906160 /nfs/dbraw/zinc/90/61/60/342906160.db2.gz KUJGYVHNQBQMRN-GJZGRUSLSA-N 2 0 292.427 1.388 10 30 CDEERP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C[N@@H+]1C1CC1 ZINC000594438603 342906351 /nfs/dbraw/zinc/90/63/51/342906351.db2.gz KOCUCSPXCWUGHY-MBNYWOFBSA-N 2 0 278.400 1.139 10 30 CDEERP CC(C)C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+](C)C ZINC000594441066 342907557 /nfs/dbraw/zinc/90/75/57/342907557.db2.gz MDEUNQLHFRYUHH-UONOGXRCSA-N 2 0 282.432 1.490 10 30 CDEERP N#CC1(C[C@H](O)C[NH2+]CCC[NH+]2CCCC2)CCOCC1 ZINC000600714768 342242762 /nfs/dbraw/zinc/24/27/62/342242762.db2.gz PDCDFHTVXISCAN-HNNXBMFYSA-N 2 0 295.427 1.133 10 30 CDEERP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600729791 342245654 /nfs/dbraw/zinc/24/56/54/342245654.db2.gz HXZRZLCTQPMNQH-LSDHHAIUSA-N 2 0 279.428 1.609 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000594424316 342903910 /nfs/dbraw/zinc/90/39/10/342903910.db2.gz ANOKHYUHJVNWHF-GFCCVEGCSA-N 2 0 266.389 1.175 10 30 CDEERP C=C(C)[C@@H](CO)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000677480853 482683978 /nfs/dbraw/zinc/68/39/78/482683978.db2.gz WAOBULQTWDDLKD-MRXNPFEDSA-N 2 0 282.428 1.500 10 30 CDEERP C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC[NH+](C)C)C1 ZINC000566923467 370837044 /nfs/dbraw/zinc/83/70/44/370837044.db2.gz KRTOXBNBWKIFRA-CQSZACIVSA-N 2 0 280.416 1.022 10 30 CDEERP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528475006 367854468 /nfs/dbraw/zinc/85/44/68/367854468.db2.gz JTOGRKQJNIJKRP-KGLIPLIRSA-N 2 0 265.401 1.457 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001661473647 1172395542 /nfs/dbraw/zinc/39/55/42/1172395542.db2.gz NWLJIVUUCIDRAA-AJNGGQMLSA-N 2 0 281.444 1.918 10 30 CDEERP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001661891431 1172462014 /nfs/dbraw/zinc/46/20/14/1172462014.db2.gz ZJHRPWXSAMDEIV-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001662872743 1172605486 /nfs/dbraw/zinc/60/54/86/1172605486.db2.gz RXPJYBHVMUOREP-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+](C)C(C)C ZINC001663123737 1172636724 /nfs/dbraw/zinc/63/67/24/1172636724.db2.gz JXHVQBJRFZIJDM-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001663119534 1172637825 /nfs/dbraw/zinc/63/78/25/1172637825.db2.gz KECFVGNNPHJUQV-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@H](CCC)[NH+](C)C)CC1 ZINC000179229130 391768252 /nfs/dbraw/zinc/76/82/52/391768252.db2.gz FEJZUAZECNJEOA-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[C@@]1(C(=O)NC2CC[NH+](CCC)CC2)CCC[NH2+]1 ZINC000662669724 413286495 /nfs/dbraw/zinc/28/64/95/413286495.db2.gz CCWVNRYALSKVFO-INIZCTEOSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CCC[NH2+]1 ZINC000662684823 413310598 /nfs/dbraw/zinc/31/05/98/413310598.db2.gz JOYRHHJAGPYYHL-HOCLYGCPSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001665490617 1173003630 /nfs/dbraw/zinc/00/36/30/1173003630.db2.gz XMPLSGCUPFQGEX-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662816614 413539247 /nfs/dbraw/zinc/53/92/47/413539247.db2.gz XHDRXSJUVRNWCY-GZBFAFLISA-N 2 0 265.401 1.128 10 30 CDEERP CC[NH+]1CCN(Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683561 175091663 /nfs/dbraw/zinc/09/16/63/175091663.db2.gz XPBYXRJYXQPNOX-UHFFFAOYSA-N 2 0 263.410 1.196 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000043683938 175092462 /nfs/dbraw/zinc/09/24/62/175092462.db2.gz SRMTZCHRBQEBQT-LLVKDONJSA-N 2 0 250.367 1.015 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659450758 423784297 /nfs/dbraw/zinc/78/42/97/423784297.db2.gz VUNGYYNHKCOWLQ-OAHLLOKOSA-N 2 0 296.459 1.700 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001667302046 1173251821 /nfs/dbraw/zinc/25/18/21/1173251821.db2.gz ONBNWDODXRJMMT-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001667580279 1173292776 /nfs/dbraw/zinc/29/27/76/1173292776.db2.gz BHIGNIASDMCTRG-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP CC#CC[NH+]1CCC[C@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001671912392 1173723105 /nfs/dbraw/zinc/72/31/05/1173723105.db2.gz MSJXFYDEUYBUNM-QGZVFWFLSA-N 2 0 293.455 1.570 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1CC)N[C@@H]1C[C@H]1C ZINC000262594155 330022414 /nfs/dbraw/zinc/02/24/14/330022414.db2.gz WBCNFJIATSKVJE-FRRDWIJNSA-N 2 0 252.406 1.434 10 30 CDEERP CN1CC[NH+]=C1NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000262663916 330025255 /nfs/dbraw/zinc/02/52/55/330025255.db2.gz NWMYAQNXQWKQLY-UHFFFAOYSA-N 2 0 264.348 1.278 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CN(C)C(NCC1(O)CCCC1)=[NH+]C ZINC000262818553 330033891 /nfs/dbraw/zinc/03/38/91/330033891.db2.gz XHZUGLLEZIFMCN-CQSZACIVSA-N 2 0 296.459 1.283 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001268016155 1159649045 /nfs/dbraw/zinc/64/90/45/1159649045.db2.gz ZRTXNXVDLXFRJJ-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268069701 1159774471 /nfs/dbraw/zinc/77/44/71/1159774471.db2.gz ZQNPIMPLDBXRAD-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001691499722 1159849423 /nfs/dbraw/zinc/84/94/23/1159849423.db2.gz AIGVGVONQJCGOQ-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715076553 1179542061 /nfs/dbraw/zinc/54/20/61/1179542061.db2.gz SZUIVDVIUFTWLS-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001688888769 1175053208 /nfs/dbraw/zinc/05/32/08/1175053208.db2.gz NRTBIUPFOJLNHU-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001690128847 1175382241 /nfs/dbraw/zinc/38/22/41/1175382241.db2.gz UOACLHSOJSBHAC-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001690302103 1175431786 /nfs/dbraw/zinc/43/17/86/1175431786.db2.gz VVGWUIHADWOBLT-JOCQHMNTSA-N 2 0 253.390 1.140 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940624284 613018554 /nfs/dbraw/zinc/01/85/54/613018554.db2.gz CJBJUVMPMZNVHU-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[C@@H](NCC1CC[NH+](C)CC1)C(=O)OCC ZINC000896004028 619946714 /nfs/dbraw/zinc/94/67/14/619946714.db2.gz OTQOWQVIAYRIGB-CQSZACIVSA-N 2 0 268.401 1.816 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000901308684 624105439 /nfs/dbraw/zinc/10/54/39/624105439.db2.gz RKUPXCVZNBZHOM-CHWSQXEVSA-N 2 0 253.390 1.045 10 30 CDEERP C[N@H+](CCOCC[NH3+])Cc1cc(Cl)cc(C#N)c1 ZINC000903474207 626004628 /nfs/dbraw/zinc/00/46/28/626004628.db2.gz IWLWTHGRTKZJNG-UHFFFAOYSA-N 2 0 267.760 1.619 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000908535118 628253689 /nfs/dbraw/zinc/25/36/89/628253689.db2.gz ACBPRLVVWBZPJK-INIZCTEOSA-N 2 0 279.428 1.439 10 30 CDEERP COCC[N@@H+]1CCC[C@H]1CNC(NC(C)(C)C)=[NH+]C(C)C ZINC000912509815 630049403 /nfs/dbraw/zinc/04/94/03/630049403.db2.gz SMGQOWGRTAOVIZ-AWEZNQCLSA-N 2 0 298.475 1.839 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001691968113 1158506822 /nfs/dbraw/zinc/50/68/22/1158506822.db2.gz BPYOTVTZJJGSSD-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001691170860 1158943340 /nfs/dbraw/zinc/94/33/40/1158943340.db2.gz IXFWBRMUVJUOQN-OAHLLOKOSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001691370226 1159041722 /nfs/dbraw/zinc/04/17/22/1159041722.db2.gz INKVFHUGDAANGG-PMPSAXMXSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001266573212 1158632151 /nfs/dbraw/zinc/63/21/51/1158632151.db2.gz LZKDIOVGZLPSDX-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001670556412 1158644399 /nfs/dbraw/zinc/64/43/99/1158644399.db2.gz LFNVHRWETQYBSL-HZPDHXFCSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001266979182 1159039789 /nfs/dbraw/zinc/03/97/89/1159039789.db2.gz ZGRYQMBIYXOPBN-CQSZACIVSA-N 2 0 287.407 1.479 10 30 CDEERP CC#CC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001691922826 1159156245 /nfs/dbraw/zinc/15/62/45/1159156245.db2.gz SWASSFNOPUUDMW-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482102235 1159981042 /nfs/dbraw/zinc/98/10/42/1159981042.db2.gz RJYPKORGJUWEEZ-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001269083904 1160028944 /nfs/dbraw/zinc/02/89/44/1160028944.db2.gz HQJJBYSETBDMQD-JKSUJKDBSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001263275043 1167442502 /nfs/dbraw/zinc/44/25/02/1167442502.db2.gz UESFOAOYEHSZDR-GHMZBOCLSA-N 2 0 259.781 1.057 10 30 CDEERP C#CC[NH2+][C@@H]1CCCCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001566075505 1168228725 /nfs/dbraw/zinc/22/87/25/1168228725.db2.gz MFSWEOIXKSSVQL-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001566844859 1168442663 /nfs/dbraw/zinc/44/26/63/1168442663.db2.gz WUAYIOUKPGBKKV-QXSJWSMHSA-N 2 0 291.439 1.816 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001566973077 1168485294 /nfs/dbraw/zinc/48/52/94/1168485294.db2.gz POCQIRXLFOCVOT-LJIZCISZSA-N 2 0 293.455 1.728 10 30 CDEERP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001569873763 1170023967 /nfs/dbraw/zinc/02/39/67/1170023967.db2.gz SVTIUCORKJRYQG-XHSDSOJGSA-N 2 0 291.439 1.437 10 30 CDEERP C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001570608080 1170208982 /nfs/dbraw/zinc/20/89/82/1170208982.db2.gz MVWBULZXSSYRDB-UONOGXRCSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)CCC[NH+]1CCCCC1)C1CC1 ZINC001661192481 1172351135 /nfs/dbraw/zinc/35/11/35/1172351135.db2.gz CWBARQXMRLTLJJ-MRXNPFEDSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC001585893172 1172921958 /nfs/dbraw/zinc/92/19/58/1172921958.db2.gz CCINUIAYANJITF-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001668178983 1173379612 /nfs/dbraw/zinc/37/96/12/1173379612.db2.gz PXKJEQFBWYMDJW-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001672816737 1173801123 /nfs/dbraw/zinc/80/11/23/1173801123.db2.gz VZBYAFTYOSCQGM-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001675672399 1174136363 /nfs/dbraw/zinc/13/63/63/1174136363.db2.gz DBRGHBUBQBQWMW-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)(C)C ZINC001677252280 1174341893 /nfs/dbraw/zinc/34/18/93/1174341893.db2.gz GKODGJGDYXYYLR-ZNMIVQPWSA-N 2 0 293.455 1.470 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001690199070 1175401811 /nfs/dbraw/zinc/40/18/11/1175401811.db2.gz JAFRSNMIPZXVGV-HOTGVXAUSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001690356242 1175447640 /nfs/dbraw/zinc/44/76/40/1175447640.db2.gz AXIDLCUWIOIXSM-ZNMIVQPWSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001690407380 1175464583 /nfs/dbraw/zinc/46/45/83/1175464583.db2.gz JIHWBTQAWPTELC-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001690622953 1175526500 /nfs/dbraw/zinc/52/65/00/1175526500.db2.gz CISVLUCHATVZAI-CQSZACIVSA-N 2 0 287.407 1.132 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001690650783 1175536694 /nfs/dbraw/zinc/53/66/94/1175536694.db2.gz RNDVFTYQXWVZBF-ZDUSSCGKSA-N 2 0 253.390 1.143 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001692391325 1175759435 /nfs/dbraw/zinc/75/94/35/1175759435.db2.gz ZDIBVJCGKCMPCH-CABCVRRESA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001698574192 1175850608 /nfs/dbraw/zinc/85/06/08/1175850608.db2.gz FRLJVKZPUQLSHD-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001698996471 1176025964 /nfs/dbraw/zinc/02/59/64/1176025964.db2.gz FEIWSOKIUSOFLW-ZDUSSCGKSA-N 2 0 255.406 1.293 10 30 CDEERP CC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001699001047 1176031665 /nfs/dbraw/zinc/03/16/65/1176031665.db2.gz LFPMXLXGFIMJEE-HZPDHXFCSA-N 2 0 293.455 1.520 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CCCF)CC1 ZINC001699010587 1176038225 /nfs/dbraw/zinc/03/82/25/1176038225.db2.gz DFTLQFZZZKWBFO-UHFFFAOYSA-N 2 0 297.418 1.081 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001699634601 1176529648 /nfs/dbraw/zinc/52/96/48/1176529648.db2.gz SHRJCLHVJAIGTB-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)C2 ZINC001699978220 1176703796 /nfs/dbraw/zinc/70/37/96/1176703796.db2.gz VFMRYFLOJNQTKH-MUJYYYPQSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001700136277 1176764586 /nfs/dbraw/zinc/76/45/86/1176764586.db2.gz KOKVGCQLJTVCEZ-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCC1 ZINC001700155834 1176775724 /nfs/dbraw/zinc/77/57/24/1176775724.db2.gz PJAVDWHLRYSDPN-UHFFFAOYSA-N 2 0 291.439 1.677 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001700321031 1176848518 /nfs/dbraw/zinc/84/85/18/1176848518.db2.gz VRBTWWXNKROTFP-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001700362932 1176875300 /nfs/dbraw/zinc/87/53/00/1176875300.db2.gz FEIPOZGFFXFILC-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C=CCC[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001700464713 1176954657 /nfs/dbraw/zinc/95/46/57/1176954657.db2.gz WNWCFEVYFKOYAG-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001700506367 1176986618 /nfs/dbraw/zinc/98/66/18/1176986618.db2.gz HLQQYYVEJCUDJH-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001700679853 1177070900 /nfs/dbraw/zinc/07/09/00/1177070900.db2.gz FXOAWONSNBDXRC-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001700714693 1177088197 /nfs/dbraw/zinc/08/81/97/1177088197.db2.gz OFLFVAOFRPPHSS-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001700817927 1177147870 /nfs/dbraw/zinc/14/78/70/1177147870.db2.gz PHLYOQFEQAVIBN-UKRRQHHQSA-N 2 0 277.412 1.073 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001707113817 1177954105 /nfs/dbraw/zinc/95/41/05/1177954105.db2.gz CRIJBTBSVKQDDC-OWCLPIDISA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH+](CC)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001707450557 1178052452 /nfs/dbraw/zinc/05/24/52/1178052452.db2.gz AGIWURKDLNWJSJ-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001713031371 1178317091 /nfs/dbraw/zinc/31/70/91/1178317091.db2.gz QHTVDBXNNFKDPJ-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001713031121 1178319354 /nfs/dbraw/zinc/31/93/54/1178319354.db2.gz OJLKZXWMLAUHQC-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713208148 1178432761 /nfs/dbraw/zinc/43/27/61/1178432761.db2.gz CDQQNMIECUMOPY-OWCLPIDISA-N 2 0 291.439 1.367 10 30 CDEERP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001713256180 1178454614 /nfs/dbraw/zinc/45/46/14/1178454614.db2.gz BGWGWWRXLRLKCJ-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713311158 1178488742 /nfs/dbraw/zinc/48/87/42/1178488742.db2.gz JYNDAMVGNCRLDB-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713351331 1178515408 /nfs/dbraw/zinc/51/54/08/1178515408.db2.gz CDHFKJBWJINVPQ-AWEZNQCLSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)CCC[NH+]1CCCC1 ZINC001713497742 1178608375 /nfs/dbraw/zinc/60/83/75/1178608375.db2.gz XYYIABXABDAYSP-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP C=CC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001714651113 1179299675 /nfs/dbraw/zinc/29/96/75/1179299675.db2.gz VMACRWWQMLZKTP-CQSZACIVSA-N 2 0 281.444 1.588 10 30 CDEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001714817411 1179410155 /nfs/dbraw/zinc/41/01/55/1179410155.db2.gz VJWOBUDYCGUZBK-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714987717 1179493700 /nfs/dbraw/zinc/49/37/00/1179493700.db2.gz ZVZNGVPHESNGNZ-FXUDXRNXSA-N 2 0 291.439 1.578 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001715033492 1179518025 /nfs/dbraw/zinc/51/80/25/1179518025.db2.gz XMUFUSAFMRILOW-CVEARBPZSA-N 2 0 293.455 1.826 10 30 CDEERP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001715181396 1179571207 /nfs/dbraw/zinc/57/12/07/1179571207.db2.gz CASJCKHMPIXZCC-HDJSIYSDSA-N 2 0 279.428 1.674 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001715463954 1179674547 /nfs/dbraw/zinc/67/45/47/1179674547.db2.gz YVXOOOCDOLRCHU-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001715563657 1179718007 /nfs/dbraw/zinc/71/80/07/1179718007.db2.gz QJPQYMUIOZSCKG-GJZGRUSLSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC[C@H](C)F)CC1 ZINC001715963364 1179945369 /nfs/dbraw/zinc/94/53/69/1179945369.db2.gz YRKVZHQQHZYHIL-UONOGXRCSA-N 2 0 297.418 1.174 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)Cc1[nH]cnc1C ZINC001716580858 1180293442 /nfs/dbraw/zinc/29/34/42/1180293442.db2.gz QEZLRDYPDFDDMY-UHFFFAOYSA-N 2 0 278.400 1.665 10 30 CDEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001716896107 1180456522 /nfs/dbraw/zinc/45/65/22/1180456522.db2.gz QGISDYULMBTACZ-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001716993399 1180495110 /nfs/dbraw/zinc/49/51/10/1180495110.db2.gz IVWRZEXZPGEBDV-GJZGRUSLSA-N 2 0 279.428 1.036 10 30 CDEERP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001717629511 1180762274 /nfs/dbraw/zinc/76/22/74/1180762274.db2.gz QJGGKGXHWKUDGK-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001723303033 1181535072 /nfs/dbraw/zinc/53/50/72/1181535072.db2.gz WKMRYQHETANJEX-CVEARBPZSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001723721303 1181595778 /nfs/dbraw/zinc/59/57/78/1181595778.db2.gz LNLFEJGHONZQMM-KRWDZBQOSA-N 2 0 291.439 1.276 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001724025737 1181630407 /nfs/dbraw/zinc/63/04/07/1181630407.db2.gz HQEXBVKXFLWHOK-GASCZTMLSA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CCCC1 ZINC001724109941 1181637085 /nfs/dbraw/zinc/63/70/85/1181637085.db2.gz OIBSTASRDURXQO-HNNXBMFYSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001724604921 1181702960 /nfs/dbraw/zinc/70/29/60/1181702960.db2.gz NCFYJNHYCFMBOL-HOTGVXAUSA-N 2 0 293.455 1.588 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001724955697 1181807528 /nfs/dbraw/zinc/80/75/28/1181807528.db2.gz GTPNSWLDLBSXTN-CHWSQXEVSA-N 2 0 288.395 1.670 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725233799 1181929576 /nfs/dbraw/zinc/92/95/76/1181929576.db2.gz YFAZFJWJGYFYGA-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001725418251 1181994545 /nfs/dbraw/zinc/99/45/45/1181994545.db2.gz RTROVAZPMPBWKU-KGLIPLIRSA-N 2 0 267.417 1.224 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001725637009 1182081264 /nfs/dbraw/zinc/08/12/64/1182081264.db2.gz UQQXMOHMIRMRMC-HOCLYGCPSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001731394435 1182357883 /nfs/dbraw/zinc/35/78/83/1182357883.db2.gz WXRMOEHARUZPLN-HZPDHXFCSA-N 2 0 291.439 1.389 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001731677531 1182514576 /nfs/dbraw/zinc/51/45/76/1182514576.db2.gz DQBPVBIOCYMQHU-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001731686115 1182517761 /nfs/dbraw/zinc/51/77/61/1182517761.db2.gz PPEGKDRZNHHXJN-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001731710764 1182526676 /nfs/dbraw/zinc/52/66/76/1182526676.db2.gz KKGRIWKMXPUMCH-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C=CCC[C@@H](C)[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001731885484 1182652663 /nfs/dbraw/zinc/65/26/63/1182652663.db2.gz ODUJITAOFLDHFQ-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]CCC1CCN(C(=O)Cn2ccnc2)CC1 ZINC001732303233 1182899187 /nfs/dbraw/zinc/89/91/87/1182899187.db2.gz LCMNDWHJBSUTKF-UHFFFAOYSA-N 2 0 288.395 1.125 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001732359324 1182924544 /nfs/dbraw/zinc/92/45/44/1182924544.db2.gz BMKWEKZWUBZDRW-KBPBESRZSA-N 2 0 267.417 1.246 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001732748628 1183107226 /nfs/dbraw/zinc/10/72/26/1183107226.db2.gz ZNSKPIANOATGFY-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001732792249 1183126863 /nfs/dbraw/zinc/12/68/63/1183126863.db2.gz PAAWOTOWOJSTSS-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1CC ZINC001733200734 1183327485 /nfs/dbraw/zinc/32/74/85/1183327485.db2.gz QLPRGBCYKPKUDJ-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001733851540 1183548654 /nfs/dbraw/zinc/54/86/54/1183548654.db2.gz LMQZIDSKEJTRSH-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001733901207 1183563297 /nfs/dbraw/zinc/56/32/97/1183563297.db2.gz NGKCJBZNSFVSEI-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733984742 1183600766 /nfs/dbraw/zinc/60/07/66/1183600766.db2.gz MNMYYEZKLDUSKM-KBPBESRZSA-N 2 0 281.444 1.920 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001734346094 1183741711 /nfs/dbraw/zinc/74/17/11/1183741711.db2.gz JKYRJMXCUQDHJQ-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001734429549 1183776525 /nfs/dbraw/zinc/77/65/25/1183776525.db2.gz UDKRKIHZLRTVNC-GJZGRUSLSA-N 2 0 291.439 1.627 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691886710 1164433325 /nfs/dbraw/zinc/43/33/25/1164433325.db2.gz DSACPEQODLYABJ-QLFBSQMISA-N 2 0 279.428 1.341 10 30 CDEERP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000120488356 726091317 /nfs/dbraw/zinc/09/13/17/726091317.db2.gz AJJFOOKYTXGFIJ-LBPRGKRZSA-N 2 0 252.406 1.565 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000876833007 726886989 /nfs/dbraw/zinc/88/69/89/726886989.db2.gz KKZLEIIBKIRIMZ-VWYCJHECSA-N 2 0 259.781 1.042 10 30 CDEERP C=CC[C@@H](C(=O)OC)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250275 726894041 /nfs/dbraw/zinc/89/40/41/726894041.db2.gz BMXDCVQUTDNTOV-AWEZNQCLSA-N 2 0 280.412 1.912 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CC[NH+](CC)CC1 ZINC000876735381 727056648 /nfs/dbraw/zinc/05/66/48/727056648.db2.gz NCRVDDCJZARNAJ-LBPRGKRZSA-N 2 0 273.808 1.304 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000876766459 727260354 /nfs/dbraw/zinc/26/03/54/727260354.db2.gz KPXIHKYSZZTNHS-NEPJUHHUSA-N 2 0 289.851 1.939 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000876509782 727400721 /nfs/dbraw/zinc/40/07/21/727400721.db2.gz KDSXENCBXJKUGL-GFCCVEGCSA-N 2 0 267.760 1.814 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000876858173 728049805 /nfs/dbraw/zinc/04/98/05/728049805.db2.gz ZXVUFDQRIZVWDS-LLVKDONJSA-N 2 0 271.792 1.058 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CC[NH+](CCC)CC1 ZINC000876735794 728301367 /nfs/dbraw/zinc/30/13/67/728301367.db2.gz PVLLQDCNSBLHBA-ZDUSSCGKSA-N 2 0 287.835 1.695 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)CC1CC[NH+](C)CC1 ZINC001635757970 1166617348 /nfs/dbraw/zinc/61/73/48/1166617348.db2.gz SGNGTKFRCXLHFR-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001566466157 1168289690 /nfs/dbraw/zinc/28/96/90/1168289690.db2.gz QKIHEDHHKPAXRT-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001567227905 1168630716 /nfs/dbraw/zinc/63/07/16/1168630716.db2.gz YUMMFEQOGSXREN-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001567265397 1168643525 /nfs/dbraw/zinc/64/35/25/1168643525.db2.gz WMAQKPJYGALFAC-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001266492707 895046481 /nfs/dbraw/zinc/04/64/81/895046481.db2.gz VCWPLUWCFTVWHM-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001266611349 895555063 /nfs/dbraw/zinc/55/50/63/895555063.db2.gz GOJZXXAOQYBPGL-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001480895394 896254874 /nfs/dbraw/zinc/25/48/74/896254874.db2.gz VQBLATKUDUBDTB-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001266949944 896416417 /nfs/dbraw/zinc/41/64/17/896416417.db2.gz SSMFQYHKWBJTCM-LBPRGKRZSA-N 2 0 286.379 1.927 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001266974476 896474547 /nfs/dbraw/zinc/47/45/47/896474547.db2.gz FGHPWEDWMAWUGK-GJZGRUSLSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267024974 896588537 /nfs/dbraw/zinc/58/85/37/896588537.db2.gz BOGFIVTYULJYFR-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001267044505 896625786 /nfs/dbraw/zinc/62/57/86/896625786.db2.gz SIDAMPVVUJETBE-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001267204537 897143485 /nfs/dbraw/zinc/14/34/85/897143485.db2.gz FCEMWDCVVVAFOB-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267302981 897531058 /nfs/dbraw/zinc/53/10/58/897531058.db2.gz JGXBRFKQVCTEMB-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267307063 897549741 /nfs/dbraw/zinc/54/97/41/897549741.db2.gz ZZQCYTMOGCYROO-OAHLLOKOSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccccc1 ZINC001267362600 897707810 /nfs/dbraw/zinc/70/78/10/897707810.db2.gz SSNVHRNQAUNCCG-HZPDHXFCSA-N 2 0 289.423 1.960 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001481012041 898491530 /nfs/dbraw/zinc/49/15/30/898491530.db2.gz SKZOZBNTTXAMKV-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267791104 899736135 /nfs/dbraw/zinc/73/61/35/899736135.db2.gz RRQBPBQYIJIENQ-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001267939650 900010879 /nfs/dbraw/zinc/01/08/79/900010879.db2.gz QYHOWUVJVRXRNG-INIZCTEOSA-N 2 0 287.407 1.366 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001268010848 900281273 /nfs/dbraw/zinc/28/12/73/900281273.db2.gz RDRGCYVMRLVXTF-CABCVRRESA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268106410 901305470 /nfs/dbraw/zinc/30/54/70/901305470.db2.gz UEWWKYFSELLORE-HZPDHXFCSA-N 2 0 293.455 1.613 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001268163614 901459469 /nfs/dbraw/zinc/45/94/69/901459469.db2.gz YYSAMNVVVWMNJI-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)COC1CC[NH+](C)CC1 ZINC001268487638 902354849 /nfs/dbraw/zinc/35/48/49/902354849.db2.gz GFBDLMRJTYQXKQ-UHFFFAOYSA-N 2 0 297.443 1.111 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268576049 902630732 /nfs/dbraw/zinc/63/07/32/902630732.db2.gz TYDGWJOIUWPSDY-VSQXVHSFSA-N 2 0 271.792 1.095 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268611549 902821065 /nfs/dbraw/zinc/82/10/65/902821065.db2.gz SFXRPFHMJCNIGU-VOTSOKGWSA-N 2 0 291.439 1.392 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001268664616 902924039 /nfs/dbraw/zinc/92/40/39/902924039.db2.gz NYLVSYLZPZZIPD-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001268734415 903054328 /nfs/dbraw/zinc/05/43/28/903054328.db2.gz WGRGZWSUOFUJOA-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001269092365 903411105 /nfs/dbraw/zinc/41/11/05/903411105.db2.gz ZSGIOHNXZDZSNI-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001269422445 903796098 /nfs/dbraw/zinc/79/60/98/903796098.db2.gz BJYNTZCDWNWUJX-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP CC#CCN1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001567840833 1169010421 /nfs/dbraw/zinc/01/04/21/1169010421.db2.gz HANCWTOPXHXQRR-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001270624344 904835466 /nfs/dbraw/zinc/83/54/66/904835466.db2.gz OZMHEDRFRKNTNR-GDBMZVCRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[N@H+]1CC[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001270649700 904881190 /nfs/dbraw/zinc/88/11/90/904881190.db2.gz PNXASUPGXHTWML-HOCLYGCPSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001482434025 905394161 /nfs/dbraw/zinc/39/41/61/905394161.db2.gz NDMZEXIMIOIGQK-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001482694322 908285913 /nfs/dbraw/zinc/28/59/13/908285913.db2.gz DOUYWPMWPLYHRO-CVEARBPZSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482877066 908455693 /nfs/dbraw/zinc/45/56/93/908455693.db2.gz NAXKZQJEUSMIGT-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482931096 908501748 /nfs/dbraw/zinc/50/17/48/908501748.db2.gz XRFZNGBCFRHWIL-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483339966 910927254 /nfs/dbraw/zinc/92/72/54/910927254.db2.gz VXEUUERJNMWQSH-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483483861 911176842 /nfs/dbraw/zinc/17/68/42/911176842.db2.gz ANLPYURLWUJJTE-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001568130080 1169142030 /nfs/dbraw/zinc/14/20/30/1169142030.db2.gz MYUWAVMRHXZOFM-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001483848607 915110014 /nfs/dbraw/zinc/11/00/14/915110014.db2.gz WHICZWOCUWWJRZ-INIZCTEOSA-N 2 0 279.428 1.439 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001484093780 915427532 /nfs/dbraw/zinc/42/75/32/915427532.db2.gz KQWLTIXQYQPLBM-ZMSDIMECSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001484726290 916084584 /nfs/dbraw/zinc/08/45/84/916084584.db2.gz KTOYONLRLZMXBZ-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001485254421 916697806 /nfs/dbraw/zinc/69/78/06/916697806.db2.gz WPGPQGCZCLSGMQ-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001485509953 917051138 /nfs/dbraw/zinc/05/11/38/917051138.db2.gz PNAMNMCFLCLZRP-GFCCVEGCSA-N 2 0 265.401 1.093 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001491152528 936865395 /nfs/dbraw/zinc/86/53/95/936865395.db2.gz CFXMTQYXNPGGIF-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001568369494 1169264056 /nfs/dbraw/zinc/26/40/56/1169264056.db2.gz KEALBNMBDVUPOD-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001489239540 926852027 /nfs/dbraw/zinc/85/20/27/926852027.db2.gz GCBXGAAOKXGGNW-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001319917188 931490966 /nfs/dbraw/zinc/49/09/66/931490966.db2.gz KJBQQQKUNXCXLZ-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001275214864 931701038 /nfs/dbraw/zinc/70/10/38/931701038.db2.gz KKDVPYYIVLQAPP-KBPBESRZSA-N 2 0 267.417 1.387 10 30 CDEERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000925672791 932925703 /nfs/dbraw/zinc/92/57/03/932925703.db2.gz JQKKCQNAASEZSM-GXTWGEPZSA-N 2 0 258.369 1.949 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001568630488 1169407055 /nfs/dbraw/zinc/40/70/55/1169407055.db2.gz DSMBTPVCCWAZKR-LSDHHAIUSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001276552428 940279132 /nfs/dbraw/zinc/27/91/32/940279132.db2.gz ICOWWTJOFRCASX-ZIAGYGMSSA-N 2 0 265.401 1.141 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001282014673 942644732 /nfs/dbraw/zinc/64/47/32/942644732.db2.gz FHRZFELJOATGGY-GPANFISMSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283611556 942944243 /nfs/dbraw/zinc/94/42/43/942944243.db2.gz FORLJTZTOIXNQB-MGPQQGTHSA-N 2 0 267.417 1.339 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001277924184 944061113 /nfs/dbraw/zinc/06/11/13/944061113.db2.gz BMHTVAFBXDSDIG-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001264125141 944083410 /nfs/dbraw/zinc/08/34/10/944083410.db2.gz COWGIRZRIAZWPP-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001265095257 944226548 /nfs/dbraw/zinc/22/65/48/944226548.db2.gz SCDBHFRSMHZGHF-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001265093282 944228087 /nfs/dbraw/zinc/22/80/87/944228087.db2.gz YIERNQDVTVGJLH-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001278326691 946194995 /nfs/dbraw/zinc/19/49/95/946194995.db2.gz SZQLOMAWYFCXJQ-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480061734 971558580 /nfs/dbraw/zinc/55/85/80/971558580.db2.gz LWTAFROJKNDPJG-CABCVRRESA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480057963 971559732 /nfs/dbraw/zinc/55/97/32/971559732.db2.gz BPOSNOCAGCTCNX-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001480231827 971640654 /nfs/dbraw/zinc/64/06/54/971640654.db2.gz LDUVLLOOUHODKU-HZSPNIEDSA-N 2 0 267.417 1.530 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001569126952 1169672976 /nfs/dbraw/zinc/67/29/76/1169672976.db2.gz QXXZNBXYDNJOJL-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001569140603 1169684653 /nfs/dbraw/zinc/68/46/53/1169684653.db2.gz ANJDXQWNSVAWAD-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001493042567 971930790 /nfs/dbraw/zinc/93/07/90/971930790.db2.gz GJHSQSQZRASGHU-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001327213438 954774533 /nfs/dbraw/zinc/77/45/33/954774533.db2.gz REFQXVNBCQSTJE-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001491894199 955495134 /nfs/dbraw/zinc/49/51/34/955495134.db2.gz NAFAMSCZQRAVLA-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001329486971 955942005 /nfs/dbraw/zinc/94/20/05/955942005.db2.gz ATJIZJPMCZKFME-CYBMUJFWSA-N 2 0 299.378 1.503 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317293864 956033457 /nfs/dbraw/zinc/03/34/57/956033457.db2.gz IVQMJUMMFFMNRB-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317467509 956342250 /nfs/dbraw/zinc/34/22/50/956342250.db2.gz UXGWIIFCEQMRBI-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001330708715 956581461 /nfs/dbraw/zinc/58/14/61/956581461.db2.gz OLQYRVBHGXNTJD-HDJSIYSDSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001316836419 957059159 /nfs/dbraw/zinc/05/91/59/957059159.db2.gz XPUWPRYIRAIZOQ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[N@H+](CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001316908053 957115301 /nfs/dbraw/zinc/11/53/01/957115301.db2.gz UVROQHLEPIIFEC-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001331646416 957183117 /nfs/dbraw/zinc/18/31/17/957183117.db2.gz IEFZWYCJPITFGO-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001317192263 957334230 /nfs/dbraw/zinc/33/42/30/957334230.db2.gz JSUVCBAXANLIPE-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317320945 957421839 /nfs/dbraw/zinc/42/18/39/957421839.db2.gz CSWZGDQKRGQLID-CVEARBPZSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCC[NH2+]1 ZINC001332109544 957435615 /nfs/dbraw/zinc/43/56/15/957435615.db2.gz CBRGXXFTXULEMQ-DGCLKSJQSA-N 2 0 287.354 1.046 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001317359023 957436547 /nfs/dbraw/zinc/43/65/47/957436547.db2.gz UKTRWPFVHUGZFU-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001317381835 957441902 /nfs/dbraw/zinc/44/19/02/957441902.db2.gz BVDKOMSIWLVIAS-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317380721 957443223 /nfs/dbraw/zinc/44/32/23/957443223.db2.gz GGAKODLWLJVAMK-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001317595960 957588170 /nfs/dbraw/zinc/58/81/70/957588170.db2.gz MWVLBHYKOHLSFG-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001494681964 972287447 /nfs/dbraw/zinc/28/74/47/972287447.db2.gz UEUFPIYIBQZUKZ-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001319478204 958587296 /nfs/dbraw/zinc/58/72/96/958587296.db2.gz SELXGDKXNNPGAJ-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001319633453 958666426 /nfs/dbraw/zinc/66/64/26/958666426.db2.gz HTAYOJAOAQOPSM-HUUCEWRRSA-N 2 0 279.428 1.082 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001319788127 958725620 /nfs/dbraw/zinc/72/56/20/958725620.db2.gz LSWJKTSMEIWOFT-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001569307725 1169757572 /nfs/dbraw/zinc/75/75/72/1169757572.db2.gz NUZDOWUFUGCEIW-KBPBESRZSA-N 2 0 267.417 1.243 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001321417280 959775728 /nfs/dbraw/zinc/77/57/28/959775728.db2.gz QFLRSNOVTXJRNE-YOVCOIKASA-N 2 0 277.412 1.145 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001336198217 960242265 /nfs/dbraw/zinc/24/22/65/960242265.db2.gz IWFHUSUIPLHIOR-XHSDSOJGSA-N 2 0 293.455 1.683 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001324099000 961160683 /nfs/dbraw/zinc/16/06/83/961160683.db2.gz UUPSADUWNCOZAN-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001324252427 961263267 /nfs/dbraw/zinc/26/32/67/961263267.db2.gz RGAIVFLMZRRISY-INIZCTEOSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001341716580 963520260 /nfs/dbraw/zinc/52/02/60/963520260.db2.gz IVAYWPYTLIDJNT-MCIONIFRSA-N 2 0 267.417 1.611 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001342366477 963722260 /nfs/dbraw/zinc/72/22/60/963722260.db2.gz YNRLXPTZSKZQTD-ZDUSSCGKSA-N 2 0 267.417 1.790 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001569565907 1169926291 /nfs/dbraw/zinc/92/62/91/1169926291.db2.gz HCCJBKOKYUYFME-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001495601995 972550368 /nfs/dbraw/zinc/55/03/68/972550368.db2.gz WKIPGXJZLHLQIY-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001496238596 972852407 /nfs/dbraw/zinc/85/24/07/972852407.db2.gz MDBKZSZHIRJPAS-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001496625564 972996091 /nfs/dbraw/zinc/99/60/91/972996091.db2.gz AZVSHMMWWMZFKJ-HUUCEWRRSA-N 2 0 281.444 1.635 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001496915889 973143003 /nfs/dbraw/zinc/14/30/03/973143003.db2.gz NKWMUOKEFBMVPZ-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001497278732 973272221 /nfs/dbraw/zinc/27/22/21/973272221.db2.gz XZKGLBJZRVHINB-HOTGVXAUSA-N 2 0 293.455 1.759 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001497484392 973363891 /nfs/dbraw/zinc/36/38/91/973363891.db2.gz MJNZCNNJYGWTEV-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001569671619 1169963379 /nfs/dbraw/zinc/96/33/79/1169963379.db2.gz QUBUDMXXESTVFC-GOEBONIOSA-N 2 0 297.418 1.128 10 30 CDEERP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001498325636 973832921 /nfs/dbraw/zinc/83/29/21/973832921.db2.gz HZYJILZYMPYPNM-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC)CC1 ZINC001500054750 974364521 /nfs/dbraw/zinc/36/45/21/974364521.db2.gz UBMROYBPPJVVDB-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001500393809 974431028 /nfs/dbraw/zinc/43/10/28/974431028.db2.gz QEGZTOOETPSKLV-INIZCTEOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001501070909 974526756 /nfs/dbraw/zinc/52/67/56/974526756.db2.gz JUXONCPNYCTMFR-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001501153814 974542473 /nfs/dbraw/zinc/54/24/73/974542473.db2.gz WIRGCTBRPWWTBY-JKSUJKDBSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001503290616 974818458 /nfs/dbraw/zinc/81/84/58/974818458.db2.gz KTHFOSOIAUGOMU-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001505693868 974966936 /nfs/dbraw/zinc/96/69/36/974966936.db2.gz GMKZADXTJYWBMS-KGLIPLIRSA-N 2 0 281.444 1.470 10 30 CDEERP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001506550950 975178081 /nfs/dbraw/zinc/17/80/81/975178081.db2.gz APKIJKRFQYBGKJ-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001506667260 975200263 /nfs/dbraw/zinc/20/02/63/975200263.db2.gz RBKYCVGUZHRZCL-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001507322359 975415768 /nfs/dbraw/zinc/41/57/68/975415768.db2.gz SHXRMGYUJWMFBP-KBPBESRZSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001507350947 975426696 /nfs/dbraw/zinc/42/66/96/975426696.db2.gz QXGALSUZUKOFTM-ZFWWWQNUSA-N 2 0 265.401 1.237 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001507385583 975443716 /nfs/dbraw/zinc/44/37/16/975443716.db2.gz SDZYHCRNROHHNF-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001378770345 975484697 /nfs/dbraw/zinc/48/46/97/975484697.db2.gz AYSHBKBXUPWTBZ-GXTWGEPZSA-N 2 0 299.846 1.517 10 30 CDEERP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001508228276 975645308 /nfs/dbraw/zinc/64/53/08/975645308.db2.gz UDIPFXWHKMPHBP-OAHLLOKOSA-N 2 0 279.428 1.651 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001402349521 976246997 /nfs/dbraw/zinc/24/69/97/976246997.db2.gz WWZBHBZKZLEFFH-GFCCVEGCSA-N 2 0 273.808 1.175 10 30 CDEERP C=CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001570560759 1170189773 /nfs/dbraw/zinc/18/97/73/1170189773.db2.gz ALNDRFHBSQRBBZ-PRLABOORSA-N 2 0 293.455 1.777 10 30 CDEERP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001570751897 1170271418 /nfs/dbraw/zinc/27/14/18/1170271418.db2.gz RKAOHTKHWMOULR-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCN(C)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001571617152 1170496049 /nfs/dbraw/zinc/49/60/49/1170496049.db2.gz WMZKVPXGQCZBDR-IYBDPMFKSA-N 2 0 293.455 1.661 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001656109369 1171768369 /nfs/dbraw/zinc/76/83/69/1171768369.db2.gz JFYVYYKKGYZHAT-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@@H+]1C ZINC000594437386 342906060 /nfs/dbraw/zinc/90/60/60/342906060.db2.gz BQZMJVUBGZMKCG-MCIONIFRSA-N 2 0 280.416 1.339 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000594438818 342906152 /nfs/dbraw/zinc/90/61/52/342906152.db2.gz MBBLTEUTCSOOIQ-ILXRZTDVSA-N 2 0 292.427 1.388 10 30 CDEERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439246 342906664 /nfs/dbraw/zinc/90/66/64/342906664.db2.gz UMHGTAMISBUNAV-MCIONIFRSA-N 2 0 278.400 1.093 10 30 CDEERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439249 342906777 /nfs/dbraw/zinc/90/67/77/342906777.db2.gz UMHGTAMISBUNAV-RDBSUJKOSA-N 2 0 278.400 1.093 10 30 CDEERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441586 342907406 /nfs/dbraw/zinc/90/74/06/342907406.db2.gz SWBRDSATEQSUEW-HUUCEWRRSA-N 2 0 294.443 1.778 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000594441723 342907803 /nfs/dbraw/zinc/90/78/03/342907803.db2.gz VVTLEIOOOWVUJQ-CQSZACIVSA-N 2 0 278.400 1.141 10 30 CDEERP CC(C)(CCC[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594443210 342908144 /nfs/dbraw/zinc/90/81/44/342908144.db2.gz ARTKSNAAFLHMRK-NSHDSACASA-N 2 0 254.378 1.031 10 30 CDEERP C[NH+](CC#CC[N@@H+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000352222866 529822965 /nfs/dbraw/zinc/82/29/65/529822965.db2.gz SQHITWDXDICZFZ-HZPDHXFCSA-N 2 0 280.412 1.211 10 30 CDEERP C[NH2+]CCOCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000600710209 349876955 /nfs/dbraw/zinc/87/69/55/349876955.db2.gz MPJUJBMFAAADSX-HNNXBMFYSA-N 2 0 259.353 1.371 10 30 CDEERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CC2)CCO1 ZINC000599477883 344068851 /nfs/dbraw/zinc/06/88/51/344068851.db2.gz KOCCNLHHQPBOHC-GJZGRUSLSA-N 2 0 295.427 1.084 10 30 CDEERP C=CC[C@@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000629551347 362985046 /nfs/dbraw/zinc/98/50/46/362985046.db2.gz UBIKGXMHFUFPJT-IKGGRYGDSA-N 2 0 274.408 1.815 10 30 CDEERP C#CCC1([NH2+]CC2CC[NH+](CC)CC2)CCOCC1 ZINC001660030431 1172151904 /nfs/dbraw/zinc/15/19/04/1172151904.db2.gz RADDUXDIZWZPHE-UHFFFAOYSA-N 2 0 264.413 1.880 10 30 CDEERP C#CCC[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001660321132 1172194903 /nfs/dbraw/zinc/19/49/03/1172194903.db2.gz BNENDBHHBTVLRG-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000568632232 371228684 /nfs/dbraw/zinc/22/86/84/371228684.db2.gz MUXMRJRHODLRRJ-VBNZEHGJSA-N 2 0 273.380 1.595 10 30 CDEERP C[N@@H+](CC#Cc1ccccc1)CCCN1CC[NH+](C)CC1 ZINC000192136025 378185623 /nfs/dbraw/zinc/18/56/23/378185623.db2.gz JDJJLHAPTNWROJ-UHFFFAOYSA-N 2 0 285.435 1.607 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001662349526 1172533731 /nfs/dbraw/zinc/53/37/31/1172533731.db2.gz DBYLMVZUUDHUHL-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H](C[NH3+])CCCC)CCC[NH2+]1 ZINC000662431927 413012717 /nfs/dbraw/zinc/01/27/17/413012717.db2.gz NNEFENVMGAXTLU-TZMCWYRMSA-N 2 0 253.390 1.318 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCC[NH2+]1 ZINC000662783903 413491414 /nfs/dbraw/zinc/49/14/14/413491414.db2.gz PGBROXXJXWXDHU-ONGXEEELSA-N 2 0 279.306 1.081 10 30 CDEERP C=CC[C@]1(C(=O)NCCC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662831005 413562673 /nfs/dbraw/zinc/56/26/73/413562673.db2.gz OPOJNNDVIVFIKG-OAHLLOKOSA-N 2 0 265.401 1.191 10 30 CDEERP CC(C)[NH+]1CCN(Cc2sccc2C#CC[NH3+])CC1 ZINC000043683729 175091556 /nfs/dbraw/zinc/09/15/56/175091556.db2.gz FSDLEKRHROKQKH-UHFFFAOYSA-N 2 0 277.437 1.584 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001666298977 1173124665 /nfs/dbraw/zinc/12/46/65/1173124665.db2.gz SWGRZNFGNMIIQN-RBSFLKMASA-N 2 0 277.412 1.121 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668215208 1173382866 /nfs/dbraw/zinc/38/28/66/1173382866.db2.gz YFSBCOKQKUWHEF-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001668883293 1173475409 /nfs/dbraw/zinc/47/54/09/1173475409.db2.gz OEGAJWLSPNMZJF-PLNGDYQASA-N 2 0 289.423 1.148 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H](CC)[NH+](C)C ZINC001669137889 1173508309 /nfs/dbraw/zinc/50/83/09/1173508309.db2.gz FTKAYOMNLDUYPT-ZHRWSRJISA-N 2 0 273.808 1.341 10 30 CDEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001671900594 1173721117 /nfs/dbraw/zinc/72/11/17/1173721117.db2.gz CYKFJNWHMSARGT-MRXNPFEDSA-N 2 0 279.428 1.180 10 30 CDEERP CC[NH+]=C(NC[C@H]1CCC[N@@H+]1CC)NC1CCC1 ZINC000262403407 330008287 /nfs/dbraw/zinc/00/82/87/330008287.db2.gz AKAGHODNNHNRME-CYBMUJFWSA-N 2 0 252.406 1.578 10 30 CDEERP C[C@H]1CN(C(=[NH2+])NC2CC([NH+]3CCCCC3)C2)CCO1 ZINC000262475565 330016057 /nfs/dbraw/zinc/01/60/57/330016057.db2.gz PXYGHOGXUXLNFO-HSBZDZAISA-N 2 0 280.416 1.039 10 30 CDEERP CC1(C)COC[C@@H]1[NH2+]CC#CC[NH2+][C@@H]1COCC1(C)C ZINC000451813266 331043465 /nfs/dbraw/zinc/04/34/65/331043465.db2.gz QNOURPWILJXYPK-OKILXGFUSA-N 2 0 280.412 1.019 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001284349707 1160022691 /nfs/dbraw/zinc/02/26/91/1160022691.db2.gz ZTKPRFQGZYSPIR-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001270984306 1160234676 /nfs/dbraw/zinc/23/46/76/1160234676.db2.gz ZRHMRDYUBNNSGB-ZBFHGGJFSA-N 2 0 279.428 1.485 10 30 CDEERP C[C@H]1OCC[C@@]1(C)[NH2+]CC#CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000671243784 483198234 /nfs/dbraw/zinc/19/82/34/483198234.db2.gz YPTWHZWAOXZUFB-GEEKYZPCSA-N 2 0 280.412 1.304 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001691661437 1161442054 /nfs/dbraw/zinc/44/20/54/1161442054.db2.gz TWXPOTZECDIDSH-CVEARBPZSA-N 2 0 293.455 1.663 10 30 CDEERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC#CC[NH+](C)C ZINC001684868901 1174663575 /nfs/dbraw/zinc/66/35/75/1174663575.db2.gz GPPIZGLNHLRLAC-OAHLLOKOSA-N 2 0 294.443 1.115 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1nccn1C ZINC001688881457 1175050067 /nfs/dbraw/zinc/05/00/67/1175050067.db2.gz SKZNZAKLJDNMJS-CQSZACIVSA-N 2 0 290.411 1.462 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001690290148 1175426932 /nfs/dbraw/zinc/42/69/32/1175426932.db2.gz VSBAIVXCZBDWKC-HDJSIYSDSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000900136022 622727686 /nfs/dbraw/zinc/72/76/86/622727686.db2.gz FNWSHXNNUJTHJS-CQSZACIVSA-N 2 0 295.452 1.975 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000900827065 623535428 /nfs/dbraw/zinc/53/54/28/623535428.db2.gz DYKCHISAIMBVPM-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(C#N)ccn1 ZINC000902969654 625679279 /nfs/dbraw/zinc/67/92/79/625679279.db2.gz FUYUPZDZMFPGJM-GFCCVEGCSA-N 2 0 262.357 1.182 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000901151744 623912483 /nfs/dbraw/zinc/91/24/83/623912483.db2.gz JVTGRWLPCHQDJH-INIZCTEOSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000901308685 624105151 /nfs/dbraw/zinc/10/51/51/624105151.db2.gz RKUPXCVZNBZHOM-OLZOCXBDSA-N 2 0 253.390 1.045 10 30 CDEERP N#Cc1ccc(N[C@H]2CCC[N@@H+](CCC[NH3+])C2)nc1 ZINC000903988811 626175092 /nfs/dbraw/zinc/17/50/92/626175092.db2.gz XUVBNOKPRLOLQL-ZDUSSCGKSA-N 2 0 259.357 1.178 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000909915031 628742519 /nfs/dbraw/zinc/74/25/19/628742519.db2.gz RZAIBEXSDTYQKT-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001691990103 1158676513 /nfs/dbraw/zinc/67/65/13/1158676513.db2.gz VEVZABSDARVGBD-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001666976242 1158761083 /nfs/dbraw/zinc/76/10/83/1158761083.db2.gz AAOFPUJPDXBRLA-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001725584008 1159256488 /nfs/dbraw/zinc/25/64/88/1159256488.db2.gz FKNKKWFSOYJSFP-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001691789903 1159419801 /nfs/dbraw/zinc/41/98/01/1159419801.db2.gz IELYVBHDMZRLQA-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001482290736 1160110549 /nfs/dbraw/zinc/11/05/49/1160110549.db2.gz AMCMJMPRUWPWAV-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000867962737 1164887755 /nfs/dbraw/zinc/88/77/55/1164887755.db2.gz AQJMULPTIBDOMA-HOCLYGCPSA-N 2 0 298.390 1.003 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001567155122 1168600565 /nfs/dbraw/zinc/60/05/65/1168600565.db2.gz MEYBAJHJAXAUEM-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001568709655 1169440533 /nfs/dbraw/zinc/44/05/33/1169440533.db2.gz CTJBMSSANGFMPR-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001570182062 1170104717 /nfs/dbraw/zinc/10/47/17/1170104717.db2.gz WABAVKIMHYSTPC-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001570896656 1170314722 /nfs/dbraw/zinc/31/47/22/1170314722.db2.gz HYSDRNFMBMJSPA-KGLIPLIRSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001671252276 1171244431 /nfs/dbraw/zinc/24/44/31/1171244431.db2.gz VTEFJARURDGXJM-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001661891429 1172462442 /nfs/dbraw/zinc/46/24/42/1172462442.db2.gz ZJHRPWXSAMDEIV-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001662729224 1172586208 /nfs/dbraw/zinc/58/62/08/1172586208.db2.gz YYNJNRQIXSGBMO-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001677263353 1174341522 /nfs/dbraw/zinc/34/15/22/1174341522.db2.gz PNHAIEUOXDTQIN-UONOGXRCSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001690408149 1175464596 /nfs/dbraw/zinc/46/45/96/1175464596.db2.gz ZALRZWTWKHSGGG-CABCVRRESA-N 2 0 297.418 1.128 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001690421602 1175467717 /nfs/dbraw/zinc/46/77/17/1175467717.db2.gz STHGMJZNTVXUBF-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001690799883 1175574435 /nfs/dbraw/zinc/57/44/35/1175574435.db2.gz IKDYSTAKBPWTTF-KRWDZBQOSA-N 2 0 299.418 1.020 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001691994635 1175663307 /nfs/dbraw/zinc/66/33/07/1175663307.db2.gz IRRBBNPKFLCYTI-HZPDHXFCSA-N 2 0 293.455 1.685 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001698618586 1175874817 /nfs/dbraw/zinc/87/48/17/1175874817.db2.gz LIUSEGRVIWVZFM-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001698725885 1175903511 /nfs/dbraw/zinc/90/35/11/1175903511.db2.gz GCSVITYRSVQPPO-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001698767332 1175925092 /nfs/dbraw/zinc/92/50/92/1175925092.db2.gz FJCTVBQDRFBFPE-CYBMUJFWSA-N 2 0 269.433 1.492 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001699107820 1176097412 /nfs/dbraw/zinc/09/74/12/1176097412.db2.gz ONXHOJSVYGKUMV-LBPRGKRZSA-N 2 0 293.436 1.541 10 30 CDEERP C=CCCC[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001699280893 1176193498 /nfs/dbraw/zinc/19/34/98/1176193498.db2.gz IDVXTVAYGOOQFQ-AATRIKPKSA-N 2 0 291.439 1.843 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699554860 1176473321 /nfs/dbraw/zinc/47/33/21/1176473321.db2.gz ZQUQDUAIDPPPGO-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001699573567 1176478649 /nfs/dbraw/zinc/47/86/49/1176478649.db2.gz HWUUTMTVJQZBRI-LSDHHAIUSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001699651201 1176548132 /nfs/dbraw/zinc/54/81/32/1176548132.db2.gz MSWFZBXUEQLOFA-CQSZACIVSA-N 2 0 277.412 1.143 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001699650997 1176548544 /nfs/dbraw/zinc/54/85/44/1176548544.db2.gz INNHISFSYNCDQM-CYBMUJFWSA-N 2 0 265.401 1.284 10 30 CDEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001699877265 1176664782 /nfs/dbraw/zinc/66/47/82/1176664782.db2.gz UNYZYYDPCMLIAC-MRXNPFEDSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001700015531 1176719981 /nfs/dbraw/zinc/71/99/81/1176719981.db2.gz DPFXIKIVALURMB-HUUCEWRRSA-N 2 0 277.412 1.027 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001700280336 1176830636 /nfs/dbraw/zinc/83/06/36/1176830636.db2.gz HVKMMSYDQVLRPW-ZIAGYGMSSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001700356184 1176868251 /nfs/dbraw/zinc/86/82/51/1176868251.db2.gz FVTHTEUTMYRLLZ-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001700820715 1177148671 /nfs/dbraw/zinc/14/86/71/1177148671.db2.gz FNQGFANIFYWENQ-KGLIPLIRSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC001700920839 1177196138 /nfs/dbraw/zinc/19/61/38/1177196138.db2.gz BSEHDDGJHARWLT-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713549781 1178639794 /nfs/dbraw/zinc/63/97/94/1178639794.db2.gz CVFFKGGUFUCUMD-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001713740562 1178730915 /nfs/dbraw/zinc/73/09/15/1178730915.db2.gz VKHJCGFIQLLLDE-HNNXBMFYSA-N 2 0 279.428 1.487 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714078070 1178963795 /nfs/dbraw/zinc/96/37/95/1178963795.db2.gz AQULLBDXGSKIDH-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH2+]Cc1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001714320784 1179084344 /nfs/dbraw/zinc/08/43/44/1179084344.db2.gz FDCLTMGDGDPUJW-UHFFFAOYSA-N 2 0 287.407 1.367 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001715052179 1179530011 /nfs/dbraw/zinc/53/00/11/1179530011.db2.gz MFHZPCHDRHJMCF-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cnc2C)C[C@@H]1C ZINC001715096372 1179549514 /nfs/dbraw/zinc/54/95/14/1179549514.db2.gz FKTQVFMIKKHQKM-JSGCOSHPSA-N 2 0 288.395 1.111 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)Cn1cncc1C ZINC001715446159 1179669328 /nfs/dbraw/zinc/66/93/28/1179669328.db2.gz WNQSPNCPVYDZRJ-OAHLLOKOSA-N 2 0 288.395 1.186 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001715467052 1179674316 /nfs/dbraw/zinc/67/43/16/1179674316.db2.gz PEJGZVPEVFSSBX-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001715560178 1179716284 /nfs/dbraw/zinc/71/62/84/1179716284.db2.gz MBKBVINWTLLJJJ-LSDHHAIUSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001715836756 1179858126 /nfs/dbraw/zinc/85/81/26/1179858126.db2.gz ZNRHGCCUKPPDQS-UDLYIEAKSA-N 2 0 291.439 1.841 10 30 CDEERP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@H]21 ZINC001716051054 1180022315 /nfs/dbraw/zinc/02/23/15/1180022315.db2.gz LRJIPPHZJPCLFV-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001716620258 1180310813 /nfs/dbraw/zinc/31/08/13/1180310813.db2.gz MUHGHDLWRYKVEZ-OAHLLOKOSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001716873898 1180449199 /nfs/dbraw/zinc/44/91/99/1180449199.db2.gz CIBBVSSDIGRDNW-QGZVFWFLSA-N 2 0 293.455 1.426 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001717085375 1180528124 /nfs/dbraw/zinc/52/81/24/1180528124.db2.gz JFFMUIFBMKPEEQ-LSDHHAIUSA-N 2 0 297.418 1.128 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001717304989 1180611349 /nfs/dbraw/zinc/61/13/49/1180611349.db2.gz ZZWRXMCCIPCGPJ-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001717641326 1180769976 /nfs/dbraw/zinc/76/99/76/1180769976.db2.gz FHRZFELJOATGGY-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717751351 1180828860 /nfs/dbraw/zinc/82/88/60/1180828860.db2.gz UODXZLWDFQRMOT-UONOGXRCSA-N 2 0 267.417 1.032 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001717751688 1180829856 /nfs/dbraw/zinc/82/98/56/1180829856.db2.gz ZSSVLAVZWDLPJA-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001717879301 1180909649 /nfs/dbraw/zinc/90/96/49/1180909649.db2.gz NMWLQNFLCFRJJN-UKRRQHHQSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[N@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001718028133 1180974825 /nfs/dbraw/zinc/97/48/25/1180974825.db2.gz HLODSARYQQMHEH-MRXNPFEDSA-N 2 0 291.439 1.488 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001722906445 1181489666 /nfs/dbraw/zinc/48/96/66/1181489666.db2.gz OOVWNUHXTSZAKU-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001723203106 1181526193 /nfs/dbraw/zinc/52/61/93/1181526193.db2.gz JLEJUGQVTVEBHJ-GASCZTMLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001725002904 1181821254 /nfs/dbraw/zinc/82/12/54/1181821254.db2.gz MQVMWRFHWKLDIW-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001725046657 1181833254 /nfs/dbraw/zinc/83/32/54/1181833254.db2.gz CFTUORFQWWGPOY-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001725122627 1181872773 /nfs/dbraw/zinc/87/27/73/1181872773.db2.gz WMGVCOICHQDMQZ-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001725373206 1181978883 /nfs/dbraw/zinc/97/88/83/1181978883.db2.gz VATXDYPFXWOFDR-KLHDSHLOSA-N 2 0 291.439 1.367 10 30 CDEERP C#CCC[N@@H+](C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001725426015 1181995269 /nfs/dbraw/zinc/99/52/69/1181995269.db2.gz SHEMWVOHWXAVCA-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001725636420 1182081141 /nfs/dbraw/zinc/08/11/41/1182081141.db2.gz QZXFJEFELZTAFJ-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001725637004 1182081213 /nfs/dbraw/zinc/08/12/13/1182081213.db2.gz UQQXMOHMIRMRMC-GDBMZVCRSA-N 2 0 291.439 1.463 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001725680820 1182095433 /nfs/dbraw/zinc/09/54/33/1182095433.db2.gz WQMTVSNLZJDNEX-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001731280707 1182293758 /nfs/dbraw/zinc/29/37/58/1182293758.db2.gz RZFREPXFHUTBJP-HNNXBMFYSA-N 2 0 265.401 1.096 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731853153 1182628078 /nfs/dbraw/zinc/62/80/78/1182628078.db2.gz SWUMVGZNFFZFID-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001731867061 1182637178 /nfs/dbraw/zinc/63/71/78/1182637178.db2.gz QEJLUJGRCTVVCR-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001731945034 1182692525 /nfs/dbraw/zinc/69/25/25/1182692525.db2.gz XJJVAVCTYYTZRX-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001731986986 1182715714 /nfs/dbraw/zinc/71/57/14/1182715714.db2.gz UYOQTAPBNZTOBA-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001732025690 1182728699 /nfs/dbraw/zinc/72/86/99/1182728699.db2.gz FSWFUVGCDZFVGL-CVEARBPZSA-N 2 0 287.407 1.571 10 30 CDEERP CC#CC[NH2+]C[C@@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001732250894 1182883520 /nfs/dbraw/zinc/88/35/20/1182883520.db2.gz HBTNEMDZFZNMQQ-WMLDXEAASA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001732490467 1182988689 /nfs/dbraw/zinc/98/86/89/1182988689.db2.gz XNLBCQBCDRZBRB-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732694882 1183089873 /nfs/dbraw/zinc/08/98/73/1183089873.db2.gz OCIOTMCHNJWQFI-QLFBSQMISA-N 2 0 281.444 1.777 10 30 CDEERP C=CCCC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001732783081 1183122787 /nfs/dbraw/zinc/12/27/87/1183122787.db2.gz WARAGZMEROSSGF-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001733226126 1183350422 /nfs/dbraw/zinc/35/04/22/1183350422.db2.gz PDUNXULTIHNTRG-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001733464496 1183440524 /nfs/dbraw/zinc/44/05/24/1183440524.db2.gz ROMXIBFKVWSMRX-RDJZCZTQSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001733538205 1183458861 /nfs/dbraw/zinc/45/88/61/1183458861.db2.gz MYJSKXYFBRMHNV-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001733957745 1183585139 /nfs/dbraw/zinc/58/51/39/1183585139.db2.gz IREZUGXABJUVDL-UHFFFAOYSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001733980517 1183600064 /nfs/dbraw/zinc/60/00/64/1183600064.db2.gz VXWDUIMDBOYIKS-RYUDHWBXSA-N 2 0 286.379 1.925 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733984744 1183602202 /nfs/dbraw/zinc/60/22/02/1183602202.db2.gz MNMYYEZKLDUSKM-KGLIPLIRSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001734001576 1183609994 /nfs/dbraw/zinc/60/99/94/1183609994.db2.gz OFQZRVLQYMMITN-STQMWFEESA-N 2 0 255.406 1.387 10 30 CDEERP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001734047836 1183634369 /nfs/dbraw/zinc/63/43/69/1183634369.db2.gz GQDVZRKWCBSEEW-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001734250893 1183704378 /nfs/dbraw/zinc/70/43/78/1183704378.db2.gz LGYBTVYUDNWARZ-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001734274401 1183710470 /nfs/dbraw/zinc/71/04/70/1183710470.db2.gz KYZGZQHTIUEIKG-AWEZNQCLSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001734299243 1183719329 /nfs/dbraw/zinc/71/93/29/1183719329.db2.gz BGRMEQJWDDYYGJ-ARFHVFGLSA-N 2 0 293.455 1.729 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001734559813 1183826003 /nfs/dbraw/zinc/82/60/03/1183826003.db2.gz AMOTZHVAQSHASX-CQSZACIVSA-N 2 0 293.455 1.615 10 30 CDEERP C[C@@H]([NH3+])c1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852798321 728803262 /nfs/dbraw/zinc/80/32/62/728803262.db2.gz HZWWREAEVUMPEP-GFCCVEGCSA-N 2 0 271.364 1.648 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000876859870 729096227 /nfs/dbraw/zinc/09/62/27/729096227.db2.gz MRUIQSNKMGREFZ-MJBXVCDLSA-N 2 0 299.846 1.695 10 30 CDEERP Cn1ccnc1N1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000930061355 729204334 /nfs/dbraw/zinc/20/43/34/729204334.db2.gz LLGPEHGFYPLQMZ-UHFFFAOYSA-N 2 0 287.411 1.872 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000855490686 729237836 /nfs/dbraw/zinc/23/78/36/729237836.db2.gz JPSVTNASKRKBEM-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C#CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000852869942 729360032 /nfs/dbraw/zinc/36/00/32/729360032.db2.gz HWNNHFIZTMIUDO-GDBMZVCRSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](CCC)CC1 ZINC000876712155 729489422 /nfs/dbraw/zinc/48/94/22/729489422.db2.gz MPPYHNASFMKZCN-GFCCVEGCSA-N 2 0 273.808 1.447 10 30 CDEERP C=CC[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000879032046 729995634 /nfs/dbraw/zinc/99/56/34/729995634.db2.gz IYKHMZUIJKXTBU-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C#C[C@H]1CC[C@H]([NH2+]C[C@H](O)CN(C)C2CC2)CC1 ZINC000872251378 730042155 /nfs/dbraw/zinc/04/21/55/730042155.db2.gz PYIMTZIABHZPOD-YDHLFZDLSA-N 2 0 250.386 1.223 10 30 CDEERP CC[C@@](C)(C#N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017790 730333789 /nfs/dbraw/zinc/33/37/89/730333789.db2.gz HGIYQCXONQUXPO-FMKPAKJESA-N 2 0 294.443 1.124 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC001621583025 1165703447 /nfs/dbraw/zinc/70/34/47/1165703447.db2.gz HMLFFOBYKZNVDS-UHFFFAOYSA-N 2 0 293.386 1.492 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001502754796 1167775187 /nfs/dbraw/zinc/77/51/87/1167775187.db2.gz XEZHLARIXZPFCL-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001272342542 912893745 /nfs/dbraw/zinc/89/37/45/912893745.db2.gz HSDWFDGLVFPMQA-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001567232214 1168632092 /nfs/dbraw/zinc/63/20/92/1168632092.db2.gz ULPIHEUMXXMGJD-CVEARBPZSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001266489221 895042605 /nfs/dbraw/zinc/04/26/05/895042605.db2.gz YVDCGWJDRRPUKK-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001266501838 895094898 /nfs/dbraw/zinc/09/48/98/895094898.db2.gz LVPMYYGRSOLLQR-GASCZTMLSA-N 2 0 279.428 1.578 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267152508 896934351 /nfs/dbraw/zinc/93/43/51/896934351.db2.gz OCDMKTWIFIHCRZ-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+](C)CCC ZINC001267178645 897020483 /nfs/dbraw/zinc/02/04/83/897020483.db2.gz DDKTYEYQHMIAHQ-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001267247735 897328284 /nfs/dbraw/zinc/32/82/84/897328284.db2.gz UHAHBDJKILNKGE-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267255966 897352655 /nfs/dbraw/zinc/35/26/55/897352655.db2.gz UYHWMPOSHQWPSI-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267777387 899699254 /nfs/dbraw/zinc/69/92/54/899699254.db2.gz QOKPICPJGSIITG-KGLIPLIRSA-N 2 0 267.417 1.435 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001267810563 899786159 /nfs/dbraw/zinc/78/61/59/899786159.db2.gz JQFZHYSUIHAZDZ-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001267815836 899800649 /nfs/dbraw/zinc/80/06/49/899800649.db2.gz RFYSLLKDAMFPFH-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)CC[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001481565277 901224900 /nfs/dbraw/zinc/22/49/00/901224900.db2.gz PBZSRGOGWBCDNH-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567742110 1168944062 /nfs/dbraw/zinc/94/40/62/1168944062.db2.gz LBTQQQOQAKFCDE-HZPDHXFCSA-N 2 0 291.439 1.132 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268109990 901312447 /nfs/dbraw/zinc/31/24/47/901312447.db2.gz ARXNEQGLQLLKQW-JYJNAYRXSA-N 2 0 293.455 1.470 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001268226541 901602351 /nfs/dbraw/zinc/60/23/51/901602351.db2.gz BGHCGNMEVXIPOJ-AWEZNQCLSA-N 2 0 267.417 1.080 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001268290113 901754892 /nfs/dbraw/zinc/75/48/92/901754892.db2.gz XYBGFICUDMYOJG-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268537779 902529776 /nfs/dbraw/zinc/52/97/76/902529776.db2.gz DCSRCDYYLOQVFY-VOTSOKGWSA-N 2 0 279.428 1.699 10 30 CDEERP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001268969534 903287069 /nfs/dbraw/zinc/28/70/69/903287069.db2.gz AFZLQSNVVWJAML-GJZGRUSLSA-N 2 0 293.455 1.826 10 30 CDEERP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001270624376 904835332 /nfs/dbraw/zinc/83/53/32/904835332.db2.gz PEJBHQVWIJVFFL-HOCLYGCPSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001273566535 921133759 /nfs/dbraw/zinc/13/37/59/921133759.db2.gz VZSSWGLKISHIRH-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001482414173 905323540 /nfs/dbraw/zinc/32/35/40/905323540.db2.gz RUNHDQYVHYZXQT-HOTGVXAUSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001482453561 905614995 /nfs/dbraw/zinc/61/49/95/905614995.db2.gz BVUUQWVQUZRPJX-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001271610694 906543320 /nfs/dbraw/zinc/54/33/20/906543320.db2.gz YYLNOZROBHRCBS-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001567914207 1169065564 /nfs/dbraw/zinc/06/55/64/1169065564.db2.gz BDRJVYCGHRDJMG-GJZGRUSLSA-N 2 0 299.434 1.775 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001482684647 908279031 /nfs/dbraw/zinc/27/90/31/908279031.db2.gz QBVADBGZEVNOFU-HUUCEWRRSA-N 2 0 289.423 1.123 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001273578300 921408759 /nfs/dbraw/zinc/40/87/59/921408759.db2.gz QKCFALKWAHMLTH-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP C=CCCC[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483008376 908684769 /nfs/dbraw/zinc/68/47/69/908684769.db2.gz IUHVEESVCRCPSX-KJPDOMRESA-N 2 0 291.439 1.556 10 30 CDEERP C#CCC[NH+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001484048934 915354851 /nfs/dbraw/zinc/35/48/51/915354851.db2.gz YBEQOVFHQPVTEB-NVXWUHKLSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001484378110 915692953 /nfs/dbraw/zinc/69/29/53/915692953.db2.gz MKPLCBZFQKNIBT-GOEBONIOSA-N 2 0 293.455 1.588 10 30 CDEERP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001484411957 915737627 /nfs/dbraw/zinc/73/76/27/915737627.db2.gz FRHXVOMCONEGOM-OWCLPIDISA-N 2 0 293.455 1.683 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001484759136 916145592 /nfs/dbraw/zinc/14/55/92/916145592.db2.gz RRDGETDTOIYWEU-UHFFFAOYSA-N 2 0 281.444 1.378 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001485232106 916687654 /nfs/dbraw/zinc/68/76/54/916687654.db2.gz OSKIJUVYSGAVSQ-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001485260717 916706126 /nfs/dbraw/zinc/70/61/26/916706126.db2.gz OWOOYGNXXNTTDY-CQSZACIVSA-N 2 0 279.428 1.036 10 30 CDEERP C=CCC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001485757956 917250920 /nfs/dbraw/zinc/25/09/20/917250920.db2.gz SDQMJJCBEDSGFL-GDBMZVCRSA-N 2 0 293.455 1.826 10 30 CDEERP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485747297 917254992 /nfs/dbraw/zinc/25/49/92/917254992.db2.gz APHXZIHVUYSVDP-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001272816674 919698478 /nfs/dbraw/zinc/69/84/78/919698478.db2.gz CNVYULLQYISDBN-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568300479 1169230567 /nfs/dbraw/zinc/23/05/67/1169230567.db2.gz RQQIECWUHVJPAX-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001486121484 920732136 /nfs/dbraw/zinc/73/21/36/920732136.db2.gz LNYRMUNDHBMYPL-CHWSQXEVSA-N 2 0 265.401 1.093 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001486133535 920736619 /nfs/dbraw/zinc/73/66/19/920736619.db2.gz DIGLIFBVABYXLV-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001486128688 920757857 /nfs/dbraw/zinc/75/78/57/920757857.db2.gz KRVREXSNAWSOPB-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)CCn2ccnc2)C1 ZINC001486473679 921049170 /nfs/dbraw/zinc/04/91/70/921049170.db2.gz ZXIDFWJQPCZFQO-UHFFFAOYSA-N 2 0 262.357 1.038 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001489289185 926855428 /nfs/dbraw/zinc/85/54/28/926855428.db2.gz WFCKLJQDSXUINV-QLFBSQMISA-N 2 0 279.428 1.175 10 30 CDEERP C=CC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@@H]1C ZINC001495335003 926982107 /nfs/dbraw/zinc/98/21/07/926982107.db2.gz XLIYLUOZSTTWSP-RDJZCZTQSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001490708238 927294204 /nfs/dbraw/zinc/29/42/04/927294204.db2.gz AQUZCKKLWSBVNY-UKRRQHHQSA-N 2 0 279.428 1.389 10 30 CDEERP C#CCN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001568506563 1169340172 /nfs/dbraw/zinc/34/01/72/1169340172.db2.gz QRAXOGAKRBYVQC-INIZCTEOSA-N 2 0 293.455 1.520 10 30 CDEERP C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274034481 931133980 /nfs/dbraw/zinc/13/39/80/931133980.db2.gz FZGQAQRJLDEGKE-AZJURWTESA-N 2 0 279.428 1.555 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001319069764 931138059 /nfs/dbraw/zinc/13/80/59/931138059.db2.gz KUOFFAIXCJLETC-HZPDHXFCSA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH2+]CC=CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001274126409 931186757 /nfs/dbraw/zinc/18/67/57/931186757.db2.gz ZTFZXMRPGFLINM-ARJAWSKDSA-N 2 0 268.320 1.072 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)CC(C)C ZINC001136692740 931283126 /nfs/dbraw/zinc/28/31/26/931283126.db2.gz ITSVKQQHQJSJLR-UHFFFAOYSA-N 2 0 255.406 1.150 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001568537327 1169354493 /nfs/dbraw/zinc/35/44/93/1169354493.db2.gz PCHYJPUTZIFZGQ-ZIAGYGMSSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)n1cnc(C)c1 ZINC001275591963 931898705 /nfs/dbraw/zinc/89/87/05/931898705.db2.gz DLBPSXXCZSQKGK-CQSZACIVSA-N 2 0 290.411 1.386 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001275629647 931916889 /nfs/dbraw/zinc/91/68/89/931916889.db2.gz NPRGUJQQMJOAOE-KKUMJFAQSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001276588563 940391822 /nfs/dbraw/zinc/39/18/22/940391822.db2.gz JJUGTRKHKGSXEC-CVEARBPZSA-N 2 0 293.455 1.920 10 30 CDEERP C#CC[N@H+]1CC=C(CNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001279575021 942395038 /nfs/dbraw/zinc/39/50/38/942395038.db2.gz XZVXYSBJULZLRS-HNNXBMFYSA-N 2 0 295.402 1.048 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001280457911 942446335 /nfs/dbraw/zinc/44/63/35/942446335.db2.gz DDJJQYXFEUEBAJ-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001280823922 942494531 /nfs/dbraw/zinc/49/45/31/942494531.db2.gz VXISGJALIJMNBW-ZIAGYGMSSA-N 2 0 288.395 1.317 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001281404533 942572510 /nfs/dbraw/zinc/57/25/10/942572510.db2.gz BIESVOZQPGVBHO-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001281475113 942580840 /nfs/dbraw/zinc/58/08/40/942580840.db2.gz GLEOWRVFNRZBET-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001282716242 942743818 /nfs/dbraw/zinc/74/38/18/942743818.db2.gz IAWXIJBZKPMSNS-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283220476 942861074 /nfs/dbraw/zinc/86/10/74/942861074.db2.gz BPOHXYDLPUNIGU-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001283611512 942946884 /nfs/dbraw/zinc/94/68/84/942946884.db2.gz DIZKKUSFQILPCC-CQSZACIVSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001283681631 942966913 /nfs/dbraw/zinc/96/69/13/942966913.db2.gz YCSNTLJESQQVHS-CQSZACIVSA-N 2 0 281.444 1.424 10 30 CDEERP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001277576066 943027014 /nfs/dbraw/zinc/02/70/14/943027014.db2.gz DJEUCGHVYZEUDW-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001284025994 943052625 /nfs/dbraw/zinc/05/26/25/943052625.db2.gz NTIGUFRRJSMLKL-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001284180944 943099077 /nfs/dbraw/zinc/09/90/77/943099077.db2.gz UNBFENGZANWWJP-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001263868593 944014315 /nfs/dbraw/zinc/01/43/15/944014315.db2.gz MWNAUJMLXNZJGA-KLHDSHLOSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001265358865 944358258 /nfs/dbraw/zinc/35/82/58/944358258.db2.gz RRCYOVHARKZJHZ-CQSZACIVSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001265456490 944394716 /nfs/dbraw/zinc/39/47/16/944394716.db2.gz VUMMFMBURFADKE-KBPBESRZSA-N 2 0 267.417 1.339 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001265613809 944447469 /nfs/dbraw/zinc/44/74/69/944447469.db2.gz WRCHXYMFBNUHRY-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001278057213 944655386 /nfs/dbraw/zinc/65/53/86/944655386.db2.gz HYTXJCGNXXBQAK-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001266053994 944656625 /nfs/dbraw/zinc/65/66/25/944656625.db2.gz DSJXMYBZYIWNRJ-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001266149542 944716028 /nfs/dbraw/zinc/71/60/28/944716028.db2.gz YNJDLKPABWBTRK-GFCCVEGCSA-N 2 0 253.390 1.141 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001479809854 971432535 /nfs/dbraw/zinc/43/25/35/971432535.db2.gz LNDSJWQABMMUMU-AWEZNQCLSA-N 2 0 267.417 1.034 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001331599668 947990977 /nfs/dbraw/zinc/99/09/77/947990977.db2.gz ZLYPYFFXERAMPT-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C ZINC001279022783 948610496 /nfs/dbraw/zinc/61/04/96/948610496.db2.gz YCMYDSXVTNBZPT-OAHLLOKOSA-N 2 0 295.471 1.862 10 30 CDEERP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001479985147 971523058 /nfs/dbraw/zinc/52/30/58/971523058.db2.gz KZSAVSSXNMUUGC-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001278503280 948990828 /nfs/dbraw/zinc/99/08/28/948990828.db2.gz AHMQGWPKVJFWMA-QGZVFWFLSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001480486735 971746039 /nfs/dbraw/zinc/74/60/39/971746039.db2.gz OMVGGRSTLHSMFP-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001480624746 971814159 /nfs/dbraw/zinc/81/41/59/971814159.db2.gz PKSGLDPOIZJXHM-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001480808131 971887100 /nfs/dbraw/zinc/88/71/00/971887100.db2.gz BOFNPGDYBIKPBK-AWEZNQCLSA-N 2 0 267.417 1.533 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001493036187 971930075 /nfs/dbraw/zinc/93/00/75/971930075.db2.gz WSCYKVFQPAGIIL-UHFFFAOYSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569153296 1169696291 /nfs/dbraw/zinc/69/62/91/1169696291.db2.gz RUCJXDPEXCOXDC-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001325527367 953948716 /nfs/dbraw/zinc/94/87/16/953948716.db2.gz RQUXHEXEZOIWLD-UONOGXRCSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001491684530 955358036 /nfs/dbraw/zinc/35/80/36/955358036.db2.gz WIUDJSDHJBNZTB-ZDUSSCGKSA-N 2 0 255.406 1.387 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001328621405 955380233 /nfs/dbraw/zinc/38/02/33/955380233.db2.gz IVBLZBCRQJKHTL-HNNXBMFYSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001328785819 955476770 /nfs/dbraw/zinc/47/67/70/955476770.db2.gz KMWLRJFCMZMWTC-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001493761010 972110723 /nfs/dbraw/zinc/11/07/23/972110723.db2.gz HTBRZFVCZZVNFZ-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001493761352 972111393 /nfs/dbraw/zinc/11/13/93/972111393.db2.gz JAGRLPZXTFISEP-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329102805 955684783 /nfs/dbraw/zinc/68/47/83/955684783.db2.gz HKWVKUCDJGGDKJ-UONOGXRCSA-N 2 0 279.428 1.367 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001329486021 955943352 /nfs/dbraw/zinc/94/33/52/955943352.db2.gz HXQGBXCIHGWPMX-CYBMUJFWSA-N 2 0 298.390 1.716 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC(C)C)CC1 ZINC001329625465 956029017 /nfs/dbraw/zinc/02/90/17/956029017.db2.gz VZMQXBFTVHWYAO-HNNXBMFYSA-N 2 0 293.455 1.424 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2ccnc2)[C@H]1CC ZINC001316739194 956293464 /nfs/dbraw/zinc/29/34/64/956293464.db2.gz PTWNPVXLYWGZIW-SOUVJXGZSA-N 2 0 288.395 1.437 10 30 CDEERP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001330513603 956460593 /nfs/dbraw/zinc/46/05/93/956460593.db2.gz CBEGXIXQHQIDSM-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001316773556 957007247 /nfs/dbraw/zinc/00/72/47/957007247.db2.gz WNQKVFXDXFZTKI-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001331458702 957075574 /nfs/dbraw/zinc/07/55/74/957075574.db2.gz LWOLNPYJVBZTAE-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001317027289 957210864 /nfs/dbraw/zinc/21/08/64/957210864.db2.gz PSXAIUBBPROJTB-LSDHHAIUSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001317084646 957259242 /nfs/dbraw/zinc/25/92/42/957259242.db2.gz SWEJEJQAGZSOFQ-VGWMRTNUSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[NH2+]C1CCC(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001317218723 957350092 /nfs/dbraw/zinc/35/00/92/957350092.db2.gz UPFONKGWQSECRF-YMAMQOFZSA-N 2 0 299.434 1.869 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317303979 957412995 /nfs/dbraw/zinc/41/29/95/957412995.db2.gz KPUONBWZKZEJGF-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001317359020 957435736 /nfs/dbraw/zinc/43/57/36/957435736.db2.gz UKTRWPFVHUGZFU-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001317840260 957689101 /nfs/dbraw/zinc/68/91/01/957689101.db2.gz PEWHDKFHGCYUJF-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001494778899 972306588 /nfs/dbraw/zinc/30/65/88/972306588.db2.gz UJGAWVZCPNFEOV-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001494906786 972334919 /nfs/dbraw/zinc/33/49/19/972334919.db2.gz VBYPMALZCDNVGN-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001319388803 958529775 /nfs/dbraw/zinc/52/97/75/958529775.db2.gz AMNBRYZAWQJRDR-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC=C(C)C ZINC001319473067 958582992 /nfs/dbraw/zinc/58/29/92/958582992.db2.gz ONSAOYRBEWEOGO-CVEARBPZSA-N 2 0 291.439 1.487 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001319539096 958618791 /nfs/dbraw/zinc/61/87/91/958618791.db2.gz DUNDLIRGZPZOTO-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001319711175 958695759 /nfs/dbraw/zinc/69/57/59/958695759.db2.gz HBFULTAXYMBGBA-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001321756188 959932250 /nfs/dbraw/zinc/93/22/50/959932250.db2.gz KHYMPHINBKZCEL-CQSZACIVSA-N 2 0 267.417 1.533 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001322725184 960308528 /nfs/dbraw/zinc/30/85/28/960308528.db2.gz WJKWUNLOJCHBNW-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@]23CC[NH2+][C@H]2CCCC3)CC1 ZINC001340217190 962824658 /nfs/dbraw/zinc/82/46/58/962824658.db2.gz FXMNYUCOZURTGW-DOTOQJQBSA-N 2 0 291.439 1.675 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001569382971 1169836065 /nfs/dbraw/zinc/83/60/65/1169836065.db2.gz IGACQGLLAHJMPZ-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001344409975 964302426 /nfs/dbraw/zinc/30/24/26/964302426.db2.gz BFYHJLAVIQJBNY-STQMWFEESA-N 2 0 267.417 1.564 10 30 CDEERP C=CC[C@]1(C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)CCC[NH2+]1 ZINC001344666352 964393744 /nfs/dbraw/zinc/39/37/44/964393744.db2.gz LXNIMWHFJNOKRI-UMVBOHGHSA-N 2 0 265.401 1.128 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001480614982 970079860 /nfs/dbraw/zinc/07/98/60/970079860.db2.gz ZVOOZQYJWXRKQF-GJZGRUSLSA-N 2 0 277.412 1.095 10 30 CDEERP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC001495605303 972548606 /nfs/dbraw/zinc/54/86/06/972548606.db2.gz GDPGAXFWLIVDKC-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCC2CC2)CC1 ZINC001497991368 973601238 /nfs/dbraw/zinc/60/12/38/973601238.db2.gz ZWVTXYDAHPOCDD-CQSZACIVSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001498490222 973945602 /nfs/dbraw/zinc/94/56/02/973945602.db2.gz NLGIKBBFGXFTFQ-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001501404199 974577994 /nfs/dbraw/zinc/57/79/94/974577994.db2.gz OOJWAKPYZORSBL-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001502804225 974787204 /nfs/dbraw/zinc/78/72/04/974787204.db2.gz NGKGAIAHYOZTIK-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001507013787 975296347 /nfs/dbraw/zinc/29/63/47/975296347.db2.gz ZQSBQHMIJMDINC-CVEARBPZSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001507025863 975298374 /nfs/dbraw/zinc/29/83/74/975298374.db2.gz CFCWENUPHRCPLZ-INIZCTEOSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001507148226 975354704 /nfs/dbraw/zinc/35/47/04/975354704.db2.gz LPDBAPZIOWDEEJ-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001492950256 976112413 /nfs/dbraw/zinc/11/24/13/976112413.db2.gz MEAQGILDVQDVRF-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001403378842 976923106 /nfs/dbraw/zinc/92/31/06/976923106.db2.gz WCTKFSNQTGSBTK-YNEHKIRRSA-N 2 0 287.835 1.564 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001677209082 1174334806 /nfs/dbraw/zinc/33/48/06/1174334806.db2.gz OIMBTALJJAJBEQ-INIZCTEOSA-N 2 0 293.455 1.663 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(C)C)CC1 ZINC001570653619 1170223842 /nfs/dbraw/zinc/22/38/42/1170223842.db2.gz UDCCDXOSVJBDQI-CABCVRRESA-N 2 0 293.455 1.470 10 30 CDEERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000591570967 342637513 /nfs/dbraw/zinc/63/75/13/342637513.db2.gz LPTCLXNJLAXKQR-WFASDCNBSA-N 2 0 261.369 1.963 10 30 CDEERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437669 342905925 /nfs/dbraw/zinc/90/59/25/342905925.db2.gz KKQYZAZONYWSMF-STQMWFEESA-N 2 0 268.405 1.244 10 30 CDEERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437771 342905982 /nfs/dbraw/zinc/90/59/82/342905982.db2.gz PFICNWILOPWIGX-SOUVJXGZSA-N 2 0 292.427 1.340 10 30 CDEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(C#N)o1 ZINC000594964645 342990308 /nfs/dbraw/zinc/99/03/08/342990308.db2.gz LPYWETDHJRKWDG-ZDUSSCGKSA-N 2 0 278.400 1.513 10 30 CDEERP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccnc(C#N)c1 ZINC000596359662 343310017 /nfs/dbraw/zinc/31/00/17/343310017.db2.gz DHKUQFDKQZULQV-ZDUSSCGKSA-N 2 0 275.400 1.059 10 30 CDEERP C=CC[C@]1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCC[NH2+]1 ZINC000621699844 350728785 /nfs/dbraw/zinc/72/87/85/350728785.db2.gz CQRSIBYYSFPWPZ-VHDGCEQUSA-N 2 0 263.385 1.025 10 30 CDEERP C=CCOc1ccc(CN2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000520230361 361448319 /nfs/dbraw/zinc/44/83/19/361448319.db2.gz MFADGGSILWJFKC-HNNXBMFYSA-N 2 0 275.396 1.326 10 30 CDEERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528396918 367824514 /nfs/dbraw/zinc/82/45/14/367824514.db2.gz QDNOVWAOBQVKQL-KBPBESRZSA-N 2 0 265.401 1.315 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001661655075 1172422877 /nfs/dbraw/zinc/42/28/77/1172422877.db2.gz WZHPPQIXQZRPSK-XUWVNRHRSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001661748039 1172438733 /nfs/dbraw/zinc/43/87/33/1172438733.db2.gz LERIXYLPKUWBAE-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001662010916 1172477730 /nfs/dbraw/zinc/47/77/30/1172477730.db2.gz NSSAULDFXDLJPF-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417543104 377929719 /nfs/dbraw/zinc/92/97/19/377929719.db2.gz UHSPJSLBUYWCPW-HIFRSBDPSA-N 2 0 294.443 1.324 10 30 CDEERP C=CCCn1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)nn1 ZINC000655939462 412953177 /nfs/dbraw/zinc/95/31/77/412953177.db2.gz HORFHGQLBHHOEF-CQSZACIVSA-N 2 0 289.427 1.818 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000237904114 390888995 /nfs/dbraw/zinc/88/89/95/390888995.db2.gz DJDPYDQHVVAPEE-OLZOCXBDSA-N 2 0 265.401 1.271 10 30 CDEERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000423120428 392958411 /nfs/dbraw/zinc/95/84/11/392958411.db2.gz GMWGHABPLYQIAJ-CQSZACIVSA-N 2 0 277.368 1.410 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)CCC[NH2+]1 ZINC000662673886 413289602 /nfs/dbraw/zinc/28/96/02/413289602.db2.gz RXZNNRSOSRCNRV-GDBMZVCRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CCC[NH2+]1 ZINC000662684822 413310327 /nfs/dbraw/zinc/31/03/27/413310327.db2.gz JOYRHHJAGPYYHL-GOEBONIOSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662754964 413438652 /nfs/dbraw/zinc/43/86/52/413438652.db2.gz WLLKTMXWWMSFEN-WOSRLPQWSA-N 2 0 277.412 1.426 10 30 CDEERP C=CC[C@H](CO)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657426376 414311671 /nfs/dbraw/zinc/31/16/71/414311671.db2.gz BYTAVKCJHKTIPM-ZDUSSCGKSA-N 2 0 272.352 1.542 10 30 CDEERP C[N@H+](Cc1ccc(C#CC[NH3+])s1)[C@@H]1CCSC1 ZINC000043683649 175092001 /nfs/dbraw/zinc/09/20/01/175092001.db2.gz CDPZDHNHGLTOIA-LLVKDONJSA-N 2 0 266.435 1.996 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001666486441 1173138282 /nfs/dbraw/zinc/13/82/82/1173138282.db2.gz BPFKQSSRANIPOF-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001666903694 1173204580 /nfs/dbraw/zinc/20/45/80/1173204580.db2.gz WPUWDHNMFWTMSF-ZFWWWQNUSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@H]21 ZINC001667694079 1173311998 /nfs/dbraw/zinc/31/19/98/1173311998.db2.gz LOPLANZKKDGSED-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001667692813 1173312594 /nfs/dbraw/zinc/31/25/94/1173312594.db2.gz CZMMUVJEMCJAPK-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001667771228 1173323301 /nfs/dbraw/zinc/32/33/01/1173323301.db2.gz QNZIYFHUKQKSLD-HZPDHXFCSA-N 2 0 293.455 1.923 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001668326750 1173397256 /nfs/dbraw/zinc/39/72/56/1173397256.db2.gz VJRDUYODHLHXIG-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001669206328 1173516785 /nfs/dbraw/zinc/51/67/85/1173516785.db2.gz BTUUZFKINULJKF-ONEGZZNKSA-N 2 0 299.846 1.877 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001671518223 1173684991 /nfs/dbraw/zinc/68/49/91/1173684991.db2.gz DEGDOSVJRSCLOO-HZPDHXFCSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001673650963 1173873474 /nfs/dbraw/zinc/87/34/74/1173873474.db2.gz POZAFJBCQAQDTH-KRWDZBQOSA-N 2 0 293.455 1.827 10 30 CDEERP C[NH+]=C(NC1CCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262811287 330033180 /nfs/dbraw/zinc/03/31/80/330033180.db2.gz VDTDCCSBVILYTF-CQSZACIVSA-N 2 0 264.417 1.675 10 30 CDEERP C#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001691451554 1159309997 /nfs/dbraw/zinc/30/99/97/1159309997.db2.gz GZDPSCMFTIOXFT-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccccc1 ZINC001267523419 1159429127 /nfs/dbraw/zinc/42/91/27/1159429127.db2.gz SSNVHRNQAUNCCG-HOTGVXAUSA-N 2 0 289.423 1.960 10 30 CDEERP C=C(C)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001481196568 1159552687 /nfs/dbraw/zinc/55/26/87/1159552687.db2.gz KPWADOLFUQFFLS-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001700882828 1160054772 /nfs/dbraw/zinc/05/47/72/1160054772.db2.gz PBEHDBLQZFYKBT-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[C@@H](C)NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665758536 482443447 /nfs/dbraw/zinc/44/34/47/482443447.db2.gz IUHRWRPWSRZGIN-KGLIPLIRSA-N 2 0 284.448 1.522 10 30 CDEERP C=CC[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691629135 1160770376 /nfs/dbraw/zinc/77/03/76/1160770376.db2.gz IRLJZDJNICMMOJ-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC001120504513 1161025295 /nfs/dbraw/zinc/02/52/95/1161025295.db2.gz PILWAOPHMNACEU-AWEZNQCLSA-N 2 0 294.443 1.324 10 30 CDEERP CC#CC[N@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001486378689 1161453758 /nfs/dbraw/zinc/45/37/58/1161453758.db2.gz OOQZEQQURGUHCM-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)CC[NH+]1CCCCC1 ZINC001731873628 1182641820 /nfs/dbraw/zinc/64/18/20/1182641820.db2.gz LXGNULRVTFAXAU-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001689083650 1175095707 /nfs/dbraw/zinc/09/57/07/1175095707.db2.gz NUSBCRSCLYQAOZ-QLFBSQMISA-N 2 0 279.428 1.483 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001690281705 1175423491 /nfs/dbraw/zinc/42/34/91/1175423491.db2.gz HGGHAMDLXLBXTL-JYJNAYRXSA-N 2 0 291.439 1.367 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCC)[C@@H](C)C2)CC1 ZINC000939808923 613129620 /nfs/dbraw/zinc/12/96/20/613129620.db2.gz HFPQULABKPTJFO-HOCLYGCPSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941032277 613225668 /nfs/dbraw/zinc/22/56/68/613225668.db2.gz GWWNSBTYONPDSZ-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940618160 613335706 /nfs/dbraw/zinc/33/57/06/613335706.db2.gz PHUBXVZYZROFDG-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP N#CCOc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925620527 617566683 /nfs/dbraw/zinc/56/66/83/617566683.db2.gz HHDCPDWHVGGGON-HUUCEWRRSA-N 2 0 271.364 1.948 10 30 CDEERP C[N@@H+]1C[C@@H]2CN(C[C@H](O)CC3(C#N)CCC3)C[C@]2(C)C1 ZINC000933733430 617598700 /nfs/dbraw/zinc/59/87/00/617598700.db2.gz SNOUTCYNFXDIFE-KFWWJZLASA-N 2 0 277.412 1.315 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000900216885 622809632 /nfs/dbraw/zinc/80/96/32/622809632.db2.gz YONCXXBGLZSICW-KBPBESRZSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000900459804 623087302 /nfs/dbraw/zinc/08/73/02/623087302.db2.gz JOGYRMYXESGMTI-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000903460042 625995583 /nfs/dbraw/zinc/99/55/83/625995583.db2.gz VFROYGFGQSDSGX-UHFFFAOYSA-N 2 0 273.380 1.461 10 30 CDEERP C=CC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H](C)COC ZINC000903768196 626085325 /nfs/dbraw/zinc/08/53/25/626085325.db2.gz LTUVXMQFEGNSQW-SOUVJXGZSA-N 2 0 268.401 1.278 10 30 CDEERP C=CC[C@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903934049 626153233 /nfs/dbraw/zinc/15/32/33/626153233.db2.gz ZMTXWNFEMMEYKY-GJZGRUSLSA-N 2 0 289.427 1.991 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000912598916 630083707 /nfs/dbraw/zinc/08/37/07/630083707.db2.gz HKVIKGMOYJLORL-UONOGXRCSA-N 2 0 279.428 1.483 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C[C@H](C)CC)CC1 ZINC001772517091 1158551820 /nfs/dbraw/zinc/55/18/20/1158551820.db2.gz JHCRPTPRNYDPDK-CABCVRRESA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001699933689 1158848720 /nfs/dbraw/zinc/84/87/20/1158848720.db2.gz JABRUKXJIGCTHP-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001670521709 1158629187 /nfs/dbraw/zinc/62/91/87/1158629187.db2.gz AWLMSOHLGJGEDN-ZBFHGGJFSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267439582 1159377733 /nfs/dbraw/zinc/37/77/33/1159377733.db2.gz NQGMKLUIZIOJIZ-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001482065843 1159973448 /nfs/dbraw/zinc/97/34/48/1159973448.db2.gz WKNDIOXYRIZRIQ-WBVHZDCISA-N 2 0 289.423 1.076 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001482290738 1160110700 /nfs/dbraw/zinc/11/07/00/1160110700.db2.gz AMCMJMPRUWPWAV-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001271206503 1160312550 /nfs/dbraw/zinc/31/25/50/1160312550.db2.gz GKJBDIHDAIJSSV-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001482889474 1160641161 /nfs/dbraw/zinc/64/11/61/1160641161.db2.gz QVAGEVUUTXQZAM-KBPBESRZSA-N 2 0 267.417 1.080 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001691845618 1161490113 /nfs/dbraw/zinc/49/01/13/1161490113.db2.gz HXDLEPOLRHTBHS-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001691671142 1161500393 /nfs/dbraw/zinc/50/03/93/1161500393.db2.gz ASEBDZKARYZWGC-GOEBONIOSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000870271846 1165155487 /nfs/dbraw/zinc/15/54/87/1165155487.db2.gz SFLYSWZXBWAEMB-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001566794625 1168424743 /nfs/dbraw/zinc/42/47/43/1168424743.db2.gz FNWXCHZVRZTYBT-SHTZXODSSA-N 2 0 289.423 1.123 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001567498381 1168814709 /nfs/dbraw/zinc/81/47/09/1168814709.db2.gz GGNNTUNGJZGFAC-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001569980834 1170052348 /nfs/dbraw/zinc/05/23/48/1170052348.db2.gz NHLIGAXBOWHPJR-BZUAXINKSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001570540225 1170183501 /nfs/dbraw/zinc/18/35/01/1170183501.db2.gz MGNALFNKNRRFAJ-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001570543673 1170185782 /nfs/dbraw/zinc/18/57/82/1170185782.db2.gz LGMVOMZLJNTQGP-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C=CCOCC[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001660787068 1172279002 /nfs/dbraw/zinc/27/90/02/1172279002.db2.gz ARILMJXFFDXHHH-UHFFFAOYSA-N 2 0 297.443 1.064 10 30 CDEERP C#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001661097257 1172332452 /nfs/dbraw/zinc/33/24/52/1172332452.db2.gz MDQCGHYQGQIDAX-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001661823503 1172450552 /nfs/dbraw/zinc/45/05/52/1172450552.db2.gz SKGWCAUXXGKMGL-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001661891428 1172461148 /nfs/dbraw/zinc/46/11/48/1172461148.db2.gz ZJHRPWXSAMDEIV-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001662424093 1172547894 /nfs/dbraw/zinc/54/78/94/1172547894.db2.gz ITHIZLGQIJJDNP-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001662695438 1172582089 /nfs/dbraw/zinc/58/20/89/1172582089.db2.gz MQSRUXSQDUJFDF-INIZCTEOSA-N 2 0 299.418 1.433 10 30 CDEERP C(#Cc1ccccc1)C[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001665826098 1173069069 /nfs/dbraw/zinc/06/90/69/1173069069.db2.gz AWRSISZXMVDFFH-KRWDZBQOSA-N 2 0 254.377 1.970 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001666606296 1173161170 /nfs/dbraw/zinc/16/11/70/1173161170.db2.gz YJGAUIWGSWMJAQ-JKSUJKDBSA-N 2 0 293.455 1.474 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001672287695 1173763456 /nfs/dbraw/zinc/76/34/56/1173763456.db2.gz PNUOYHIEUZNJRI-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001672796818 1173801697 /nfs/dbraw/zinc/80/16/97/1173801697.db2.gz WLSNVJSJSSRMOI-ZBFHGGJFSA-N 2 0 291.439 1.342 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001672969947 1173815154 /nfs/dbraw/zinc/81/51/54/1173815154.db2.gz HQFHFPCGRWHBRV-BZUAXINKSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH+]1CC([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001675359657 1174107248 /nfs/dbraw/zinc/10/72/48/1174107248.db2.gz JOXUJLDGPAHFLS-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001690421601 1175467792 /nfs/dbraw/zinc/46/77/92/1175467792.db2.gz STHGMJZNTVXUBF-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001690559128 1175500281 /nfs/dbraw/zinc/50/02/81/1175500281.db2.gz HQCXXZQPNZKHND-RDJZCZTQSA-N 2 0 299.418 1.227 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001690574546 1175509365 /nfs/dbraw/zinc/50/93/65/1175509365.db2.gz CKYCWCVDJYQWBQ-OLZOCXBDSA-N 2 0 253.390 1.140 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001691876061 1175643296 /nfs/dbraw/zinc/64/32/96/1175643296.db2.gz RSHNSQNRAISWRK-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C ZINC001692084217 1175675475 /nfs/dbraw/zinc/67/54/75/1175675475.db2.gz YKXXQMPECFYRMJ-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001698619253 1175874384 /nfs/dbraw/zinc/87/43/84/1175874384.db2.gz MEBBIWXOOBGKQV-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001698618584 1175874409 /nfs/dbraw/zinc/87/44/09/1175874409.db2.gz LIUSEGRVIWVZFM-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699345818 1176276548 /nfs/dbraw/zinc/27/65/48/1176276548.db2.gz QNZVYUSFHYXXAZ-MWWKQMNYSA-N 2 0 291.439 1.392 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699403955 1176370557 /nfs/dbraw/zinc/37/05/57/1176370557.db2.gz UWUDCWVVKUTUIF-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001699664217 1176558324 /nfs/dbraw/zinc/55/83/24/1176558324.db2.gz ASESCKGZRWNJBR-AWEZNQCLSA-N 2 0 277.412 1.121 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001699758363 1176611125 /nfs/dbraw/zinc/61/11/25/1176611125.db2.gz JHEUXLFJYOXMBT-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001699827645 1176645822 /nfs/dbraw/zinc/64/58/22/1176645822.db2.gz QVCXKXIAFYWPEL-ZBFHGGJFSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001699959040 1176697725 /nfs/dbraw/zinc/69/77/25/1176697725.db2.gz ZIUDZTVCSYDWNO-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001700079295 1176741456 /nfs/dbraw/zinc/74/14/56/1176741456.db2.gz KLBAZTVDGSEMPY-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001700203923 1176797959 /nfs/dbraw/zinc/79/79/59/1176797959.db2.gz WCGAYDGIMRFNRU-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001700224464 1176805090 /nfs/dbraw/zinc/80/50/90/1176805090.db2.gz GXWFQPOPQKQIDF-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001700267054 1176824844 /nfs/dbraw/zinc/82/48/44/1176824844.db2.gz KUKQBAXIHVTKMC-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001700317478 1176846656 /nfs/dbraw/zinc/84/66/56/1176846656.db2.gz IFTIZRFZFYTJNW-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001700484215 1176976252 /nfs/dbraw/zinc/97/62/52/1176976252.db2.gz YMCYXWBBFXGRIY-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001700505895 1176986591 /nfs/dbraw/zinc/98/65/91/1176986591.db2.gz HXNMJBJCEZDHAN-GJZGRUSLSA-N 2 0 281.444 1.423 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001700550586 1177010058 /nfs/dbraw/zinc/01/00/58/1177010058.db2.gz OUMBXQZCZXILOU-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001700765720 1177121691 /nfs/dbraw/zinc/12/16/91/1177121691.db2.gz BLYXUQUEFOXCEB-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+](C)C)CCC[C@H]12 ZINC001700870114 1177171442 /nfs/dbraw/zinc/17/14/42/1177171442.db2.gz YRTFROOLSJQZKV-RDJZCZTQSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001707075703 1177940618 /nfs/dbraw/zinc/94/06/18/1177940618.db2.gz SISGLOFRLSUCMR-OWCLPIDISA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001707090757 1177948951 /nfs/dbraw/zinc/94/89/51/1177948951.db2.gz ZKTFRZPGGXXFTQ-CTYIDZIISA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001707091881 1177949493 /nfs/dbraw/zinc/94/94/93/1177949493.db2.gz DRIDTGVZGSWBBZ-WKILWMFISA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001707108516 1177952021 /nfs/dbraw/zinc/95/20/21/1177952021.db2.gz ULPPMJOQHGSRLY-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001707247444 1177979896 /nfs/dbraw/zinc/97/98/96/1177979896.db2.gz QOALIVRBDVBJQS-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001712946879 1178258635 /nfs/dbraw/zinc/25/86/35/1178258635.db2.gz GFGNMGNLDQQOKP-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001713112110 1178374374 /nfs/dbraw/zinc/37/43/74/1178374374.db2.gz FYXWDFZXXRFGDE-CVEARBPZSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001713137106 1178388849 /nfs/dbraw/zinc/38/88/49/1178388849.db2.gz UQEBQVQPTRBZJX-INIZCTEOSA-N 2 0 291.439 1.276 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713238196 1178448306 /nfs/dbraw/zinc/44/83/06/1178448306.db2.gz FGTLBSKPIJUPRL-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001713936088 1178865107 /nfs/dbraw/zinc/86/51/07/1178865107.db2.gz OHWLFXZWVXRERW-KBPBESRZSA-N 2 0 277.412 1.189 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001714035592 1178940191 /nfs/dbraw/zinc/94/01/91/1178940191.db2.gz LXVXLRJMUPACKY-HOTGVXAUSA-N 2 0 295.471 1.977 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001714338715 1179094095 /nfs/dbraw/zinc/09/40/95/1179094095.db2.gz OLHSJTNCXRXTMS-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001714384788 1179116119 /nfs/dbraw/zinc/11/61/19/1179116119.db2.gz IRSMQTWFCDSHEH-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001714512434 1179177467 /nfs/dbraw/zinc/17/74/67/1179177467.db2.gz HUYBVLXKHUNLCG-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001714622210 1179274973 /nfs/dbraw/zinc/27/49/73/1179274973.db2.gz RYAKHRATPCTOTM-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001714821100 1179410900 /nfs/dbraw/zinc/41/09/00/1179410900.db2.gz BQYRMXDXEMHCKZ-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001714906647 1179447467 /nfs/dbraw/zinc/44/74/67/1179447467.db2.gz UMFYOPFBDVCGKA-JKSUJKDBSA-N 2 0 291.439 1.132 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001715059940 1179535057 /nfs/dbraw/zinc/53/50/57/1179535057.db2.gz LNEMPSUCZFHIAO-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715072303 1179540489 /nfs/dbraw/zinc/54/04/89/1179540489.db2.gz URZYIRBOXSFHBI-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCC1 ZINC001715096815 1179550644 /nfs/dbraw/zinc/55/06/44/1179550644.db2.gz BSNZGBKHJAXLGX-UHFFFAOYSA-N 2 0 267.417 1.533 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001715207499 1179576738 /nfs/dbraw/zinc/57/67/38/1179576738.db2.gz XLWHYNMDWQYBJI-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001715386131 1179652574 /nfs/dbraw/zinc/65/25/74/1179652574.db2.gz MEDKJEZYOVRJPC-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC=C(C)C)CC1 ZINC001716010057 1179981053 /nfs/dbraw/zinc/98/10/53/1179981053.db2.gz VQYPDEGBMPULES-HNNXBMFYSA-N 2 0 291.439 1.392 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001716244582 1180117895 /nfs/dbraw/zinc/11/78/95/1180117895.db2.gz ZDMWGZGXQHYIQD-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001716765631 1180406026 /nfs/dbraw/zinc/40/60/26/1180406026.db2.gz XUEKYJIRUCBUHE-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001716872992 1180449154 /nfs/dbraw/zinc/44/91/54/1180449154.db2.gz LVXQNJXWZSZIDF-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001716993398 1180495330 /nfs/dbraw/zinc/49/53/30/1180495330.db2.gz IVWRZEXZPGEBDV-CABCVRRESA-N 2 0 279.428 1.036 10 30 CDEERP C#CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001716993116 1180495008 /nfs/dbraw/zinc/49/50/08/1180495008.db2.gz FTKHVLDKJAKMRS-GJZGRUSLSA-N 2 0 279.428 1.036 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001717149841 1180549065 /nfs/dbraw/zinc/54/90/65/1180549065.db2.gz DRGPPYIHFIBWOT-HNNXBMFYSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCc2nccn2C)C1 ZINC001717877445 1180908132 /nfs/dbraw/zinc/90/81/32/1180908132.db2.gz PFNTUOAAJONHJS-UONOGXRCSA-N 2 0 290.411 1.413 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC001717973660 1180954504 /nfs/dbraw/zinc/95/45/04/1180954504.db2.gz ITSNRWUGQSTSRT-AWEZNQCLSA-N 2 0 281.444 1.470 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001723124064 1181519517 /nfs/dbraw/zinc/51/95/17/1181519517.db2.gz RNVUNIKEMCCBDD-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CCCC1 ZINC001724085433 1181634419 /nfs/dbraw/zinc/63/44/19/1181634419.db2.gz QQTXHERJSSJOHE-INIZCTEOSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001724185422 1181649220 /nfs/dbraw/zinc/64/92/20/1181649220.db2.gz YDHMXFIOEUKNSU-MRXNPFEDSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001725265126 1181944592 /nfs/dbraw/zinc/94/45/92/1181944592.db2.gz CSQYMKSEBDTWAH-AWEZNQCLSA-N 2 0 291.439 1.485 10 30 CDEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725470952 1182011915 /nfs/dbraw/zinc/01/19/15/1182011915.db2.gz QHLYYRKEYWDMEC-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001731450382 1182393918 /nfs/dbraw/zinc/39/39/18/1182393918.db2.gz HWJKNAAOBODEIY-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001731498471 1182420591 /nfs/dbraw/zinc/42/05/91/1182420591.db2.gz NCCFRTKCLKWGKQ-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001731504965 1182423445 /nfs/dbraw/zinc/42/34/45/1182423445.db2.gz ISRHDLUETMFKPR-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001731556725 1182446737 /nfs/dbraw/zinc/44/67/37/1182446737.db2.gz BIGRKCQJCZVVON-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001731729752 1182536949 /nfs/dbraw/zinc/53/69/49/1182536949.db2.gz TXRFYFHNRKJRGK-KGLIPLIRSA-N 2 0 269.433 1.633 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001731858337 1182631602 /nfs/dbraw/zinc/63/16/02/1182631602.db2.gz SEVXBMCTALFBAD-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001731867063 1182638013 /nfs/dbraw/zinc/63/80/13/1182638013.db2.gz QEJLUJGRCTVVCR-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001732048863 1182738657 /nfs/dbraw/zinc/73/86/57/1182738657.db2.gz LCNREPPZWBBHNA-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001732250893 1182883491 /nfs/dbraw/zinc/88/34/91/1182883491.db2.gz HBTNEMDZFZNMQQ-RHSMWYFYSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001732489134 1182987472 /nfs/dbraw/zinc/98/74/72/1182987472.db2.gz SIIAOQOWUGYQQD-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001732563417 1183011261 /nfs/dbraw/zinc/01/12/61/1183011261.db2.gz SNLNGGQZQTVXGE-JKSUJKDBSA-N 2 0 293.455 1.635 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001732605455 1183043646 /nfs/dbraw/zinc/04/36/46/1183043646.db2.gz ITCXPFWLIRIWRR-ZIAGYGMSSA-N 2 0 265.401 1.047 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001732959797 1183205958 /nfs/dbraw/zinc/20/59/58/1183205958.db2.gz GUCYGJOEQRUAEC-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001733069326 1183276047 /nfs/dbraw/zinc/27/60/47/1183276047.db2.gz ZUBZEYIXNMOBBZ-ZDUSSCGKSA-N 2 0 255.406 1.339 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001733245963 1183367540 /nfs/dbraw/zinc/36/75/40/1183367540.db2.gz XMSXWMHNBHOJII-UONOGXRCSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001733248721 1183369137 /nfs/dbraw/zinc/36/91/37/1183369137.db2.gz CDOFOFZYMOHJKZ-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001733346948 1183404580 /nfs/dbraw/zinc/40/45/80/1183404580.db2.gz NVTSHFXENAADSG-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCOCC[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001733360445 1183409073 /nfs/dbraw/zinc/40/90/73/1183409073.db2.gz SQULHBCTDGOCQI-UHFFFAOYSA-N 2 0 297.443 1.111 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001733443425 1183434854 /nfs/dbraw/zinc/43/48/54/1183434854.db2.gz UAGDFICOMUOYDP-IRXDYDNUSA-N 2 0 291.439 1.487 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001733452519 1183436220 /nfs/dbraw/zinc/43/62/20/1183436220.db2.gz RYVOQKMIPMDDFA-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001733464494 1183440857 /nfs/dbraw/zinc/44/08/57/1183440857.db2.gz ROMXIBFKVWSMRX-NVXWUHKLSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001733998783 1183608974 /nfs/dbraw/zinc/60/89/74/1183608974.db2.gz DUQYUDBRDINLIE-UONOGXRCSA-N 2 0 267.417 1.224 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001734054169 1183636978 /nfs/dbraw/zinc/63/69/78/1183636978.db2.gz RDCVAEWNDYIOLH-BBRMVZONSA-N 2 0 299.434 1.821 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001734061247 1183642441 /nfs/dbraw/zinc/64/24/41/1183642441.db2.gz YMMSRHBKPLWHIQ-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001734084204 1183651298 /nfs/dbraw/zinc/65/12/98/1183651298.db2.gz YJYIIAMJTTWPGH-JKSUJKDBSA-N 2 0 293.455 1.424 10 30 CDEERP C=CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)C1 ZINC001734154285 1183677024 /nfs/dbraw/zinc/67/70/24/1183677024.db2.gz LNFDCAPRWFIXIZ-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001734219554 1183694978 /nfs/dbraw/zinc/69/49/78/1183694978.db2.gz RUNMKFGKNIKPMI-HDJSIYSDSA-N 2 0 277.412 1.143 10 30 CDEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001734252107 1183704500 /nfs/dbraw/zinc/70/45/00/1183704500.db2.gz FWVLJVFKXQEZJS-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP CN(CCC[N@H+](C)Cc1cncc(C#N)c1)CC[NH+](C)C ZINC000930503036 730464127 /nfs/dbraw/zinc/46/41/27/730464127.db2.gz OPBIJGBQWYANKE-UHFFFAOYSA-N 2 0 289.427 1.269 10 30 CDEERP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893808 730686920 /nfs/dbraw/zinc/68/69/20/730686920.db2.gz FBOCPHQHIHDNKV-ZIAGYGMSSA-N 2 0 265.401 1.104 10 30 CDEERP C=CC[C@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000878247893 731813878 /nfs/dbraw/zinc/81/38/78/731813878.db2.gz LAHFUWRUQRUPOG-LSDHHAIUSA-N 2 0 251.418 1.663 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)CC1 ZINC000874844812 731909467 /nfs/dbraw/zinc/90/94/67/731909467.db2.gz TYRDHBACQPWAKR-CVEARBPZSA-N 2 0 289.423 1.027 10 30 CDEERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000715569062 731913277 /nfs/dbraw/zinc/91/32/77/731913277.db2.gz GAZPMIKAVRIZKR-MCIONIFRSA-N 2 0 280.416 1.387 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000876726306 732001136 /nfs/dbraw/zinc/00/11/36/732001136.db2.gz CZZLIDRLUHXPSX-CMPLNLGQSA-N 2 0 291.848 1.010 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000876935912 732490944 /nfs/dbraw/zinc/49/09/44/732490944.db2.gz SQLNDFYKRIBSCO-QWRGUYRKSA-N 2 0 271.792 1.247 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CCC[NH2+]1 ZINC000877259149 732693324 /nfs/dbraw/zinc/69/33/24/732693324.db2.gz ZJKMQCOQIVCPFV-DLBZAZTESA-N 2 0 293.455 1.908 10 30 CDEERP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000925775555 732786620 /nfs/dbraw/zinc/78/66/20/732786620.db2.gz HFIPQIFGYPQFJF-IJLUTSLNSA-N 2 0 257.328 1.903 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834783775 733050903 /nfs/dbraw/zinc/05/09/03/733050903.db2.gz OSLLCZJRWRKNGN-UHFFFAOYSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC001138039807 1167034185 /nfs/dbraw/zinc/03/41/85/1167034185.db2.gz SKAULTQSOWLFDB-HNNXBMFYSA-N 2 0 279.428 1.295 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001565805100 1168171525 /nfs/dbraw/zinc/17/15/25/1168171525.db2.gz VZCKBDOQHTVJLW-OAHLLOKOSA-N 2 0 279.428 1.581 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566792900 1168425172 /nfs/dbraw/zinc/42/51/72/1168425172.db2.gz CGRGBLTVCYSDTL-JOCQHMNTSA-N 2 0 265.401 1.284 10 30 CDEERP C=CC[NH+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001566871678 1168452871 /nfs/dbraw/zinc/45/28/71/1168452871.db2.gz IQNZLYQZRMJECF-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266342995 894459553 /nfs/dbraw/zinc/45/95/53/894459553.db2.gz VWGLLCJKSOGBPH-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[NH+]1CC([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001282737376 894750288 /nfs/dbraw/zinc/75/02/88/894750288.db2.gz AMSZTTXLXGPKPS-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001267308814 897555527 /nfs/dbraw/zinc/55/55/27/897555527.db2.gz GXUZUNNJYOFSHK-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP CC#CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001267333749 897625329 /nfs/dbraw/zinc/62/53/29/897625329.db2.gz LTBNXBOLGIJGIO-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001272617523 914186137 /nfs/dbraw/zinc/18/61/37/914186137.db2.gz WJUYYRCLWBQICT-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267567914 898388964 /nfs/dbraw/zinc/38/89/64/898388964.db2.gz GPWRCCXBVDOTAF-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001567643729 1168903358 /nfs/dbraw/zinc/90/33/58/1168903358.db2.gz VHBOVMFYIDRLAJ-UHFFFAOYSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001267815837 899801320 /nfs/dbraw/zinc/80/13/20/899801320.db2.gz RFYSLLKDAMFPFH-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001481539285 901113744 /nfs/dbraw/zinc/11/37/44/901113744.db2.gz SASYUKOABIGLQO-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001268099290 901284200 /nfs/dbraw/zinc/28/42/00/901284200.db2.gz LSPLRCQADWZRTN-AWEZNQCLSA-N 2 0 287.407 1.432 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001567735263 1168943428 /nfs/dbraw/zinc/94/34/28/1168943428.db2.gz BPHBPMNXSXJPMH-AWEZNQCLSA-N 2 0 279.428 1.295 10 30 CDEERP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]21 ZINC001268270818 901715813 /nfs/dbraw/zinc/71/58/13/901715813.db2.gz QHBDZWUDROOPFN-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268347778 901909161 /nfs/dbraw/zinc/90/91/61/901909161.db2.gz DYRAMUDCPRRSGC-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001481868409 902246091 /nfs/dbraw/zinc/24/60/91/902246091.db2.gz FTGBRGYXSCCZMG-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001481936292 902371232 /nfs/dbraw/zinc/37/12/32/902371232.db2.gz BDSZQSKHVKWTBJ-DOTOQJQBSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268611547 902822324 /nfs/dbraw/zinc/82/23/24/902822324.db2.gz SFXRPFHMJCNIGU-SREVYHEPSA-N 2 0 291.439 1.392 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001269199570 903534990 /nfs/dbraw/zinc/53/49/90/903534990.db2.gz KYZZIVOQYXTAKD-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269250212 903607174 /nfs/dbraw/zinc/60/71/74/903607174.db2.gz AVPXFZXCNXKRNB-CABCVRRESA-N 2 0 279.428 1.129 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001270050247 904306090 /nfs/dbraw/zinc/30/60/90/904306090.db2.gz KMJNGZZWWTXIMU-QLFBSQMISA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001270840372 905126395 /nfs/dbraw/zinc/12/63/95/905126395.db2.gz NNAUYXRKEZTPET-ZBFHGGJFSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001271532135 906502337 /nfs/dbraw/zinc/50/23/37/906502337.db2.gz VAODRTPQOCIABC-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001271600628 906537644 /nfs/dbraw/zinc/53/76/44/906537644.db2.gz SKKQSKDJDTYUAA-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001271879189 906926981 /nfs/dbraw/zinc/92/69/81/906926981.db2.gz YBUMMBSOYDKICQ-ZIAGYGMSSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001482678858 908248268 /nfs/dbraw/zinc/24/82/68/908248268.db2.gz MOVMZJGKOFLRHE-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001482694324 908286171 /nfs/dbraw/zinc/28/61/71/908286171.db2.gz DOUYWPMWPLYHRO-HOTGVXAUSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001482838981 908415067 /nfs/dbraw/zinc/41/50/67/908415067.db2.gz HFBGWDMKFVPKNI-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001482901127 908466780 /nfs/dbraw/zinc/46/67/80/908466780.db2.gz IPAMTZRWXFOFJV-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482899489 908466949 /nfs/dbraw/zinc/46/69/49/908466949.db2.gz QICORTMCZZKVDI-NWDGAFQWSA-N 2 0 273.808 1.175 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482891176 908470678 /nfs/dbraw/zinc/47/06/78/908470678.db2.gz LGUZJIFXHCDUPP-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP CN(CCC[NH2+]Cc1csc(C#N)c1)CC[NH+](C)C ZINC000922273785 921450738 /nfs/dbraw/zinc/45/07/38/921450738.db2.gz KYUVRSDBSFNTPI-UHFFFAOYSA-N 2 0 280.441 1.593 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001567974159 1169102185 /nfs/dbraw/zinc/10/21/85/1169102185.db2.gz TVPPMAXLOYQWBJ-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001568004829 1169114179 /nfs/dbraw/zinc/11/41/79/1169114179.db2.gz NLKBQOLXZUPRPM-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483339644 910932792 /nfs/dbraw/zinc/93/27/92/910932792.db2.gz JKWAIWJTUKADEW-BFHYXJOUSA-N 2 0 267.417 1.339 10 30 CDEERP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001483376647 911006759 /nfs/dbraw/zinc/00/67/59/911006759.db2.gz KBROUFZHXNOHNZ-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484176935 915492320 /nfs/dbraw/zinc/49/23/20/915492320.db2.gz YJAXRFWSTVQNOI-KRWDZBQOSA-N 2 0 291.439 1.324 10 30 CDEERP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001484466351 915795483 /nfs/dbraw/zinc/79/54/83/915795483.db2.gz XVHUFDLTKIRPQB-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)c2cc3c[nH]ccc-3n2)CCC1 ZINC001484639346 915993705 /nfs/dbraw/zinc/99/37/05/915993705.db2.gz QYRTYYLWQFDVTH-UHFFFAOYSA-N 2 0 296.374 1.828 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001484747258 916131740 /nfs/dbraw/zinc/13/17/40/916131740.db2.gz OFOMVWKXUTVMSG-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001484894290 916247972 /nfs/dbraw/zinc/24/79/72/916247972.db2.gz IDAFMOQWUPTKGN-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001484897167 916253305 /nfs/dbraw/zinc/25/33/05/916253305.db2.gz HLRWKZTVHLXOAM-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001484916659 916257287 /nfs/dbraw/zinc/25/72/87/916257287.db2.gz ZDCJRRBSYQBSFU-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485747349 917253495 /nfs/dbraw/zinc/25/34/95/917253495.db2.gz YOAILVWGZHPSSH-UONOGXRCSA-N 2 0 267.417 1.080 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272782295 919268421 /nfs/dbraw/zinc/26/84/21/919268421.db2.gz NFFQQUVBOWBXNR-JHJVBQTASA-N 2 0 287.835 1.564 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001493240192 936620969 /nfs/dbraw/zinc/62/09/69/936620969.db2.gz PDIVGLAYHMJAHH-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001486093042 920692223 /nfs/dbraw/zinc/69/22/23/920692223.db2.gz STFDNNBMUUMWSX-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001486508689 921083619 /nfs/dbraw/zinc/08/36/19/921083619.db2.gz FDBQJWYPYJLWCA-CQSZACIVSA-N 2 0 265.401 1.261 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001671243176 1169247148 /nfs/dbraw/zinc/24/71/48/1169247148.db2.gz BGWWZLVQAKUHPT-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001568346128 1169256360 /nfs/dbraw/zinc/25/63/60/1169256360.db2.gz ZCISLAPPOMCNRF-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001273342431 926099542 /nfs/dbraw/zinc/09/95/42/926099542.db2.gz MIXPZFNGXCDCFB-HNNXBMFYSA-N 2 0 297.443 1.111 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001274633435 931526189 /nfs/dbraw/zinc/52/61/89/931526189.db2.gz JWTOOSDJSGPGTP-UONOGXRCSA-N 2 0 277.412 1.073 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001275921357 932135418 /nfs/dbraw/zinc/13/54/18/932135418.db2.gz SKHKMJROEIWJLR-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP N#Cc1ccc(NCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)nc1 ZINC000925894072 932950337 /nfs/dbraw/zinc/95/03/37/932950337.db2.gz UCJMDAQFAJJAPA-QWHCGFSZSA-N 2 0 271.368 1.225 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001276333805 935017755 /nfs/dbraw/zinc/01/77/55/935017755.db2.gz XBZRZHDKZDWFHM-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001568633099 1169409246 /nfs/dbraw/zinc/40/92/46/1169409246.db2.gz XREDMTWSAGORAV-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001122202583 937912656 /nfs/dbraw/zinc/91/26/56/937912656.db2.gz NUIXMXOYWDFORU-UONOGXRCSA-N 2 0 295.427 1.026 10 30 CDEERP C#CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001280777641 942484312 /nfs/dbraw/zinc/48/43/12/942484312.db2.gz UJCYYSJPIHINRH-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001281411056 942573673 /nfs/dbraw/zinc/57/36/73/942573673.db2.gz ZCIGXWIHMNXBTO-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001281963898 942639016 /nfs/dbraw/zinc/63/90/16/942639016.db2.gz ABUGNMDQWOCUJK-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[NH2+]C[C@H](CCCC)NC(=O)C1CC[NH+](C)CC1 ZINC001282647486 942735899 /nfs/dbraw/zinc/73/58/99/942735899.db2.gz IIAGBEUZFBUIPP-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001284618302 943228154 /nfs/dbraw/zinc/22/81/54/943228154.db2.gz KKZCGLFVMMAVFE-CQSZACIVSA-N 2 0 281.444 1.472 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001263815456 943985116 /nfs/dbraw/zinc/98/51/16/943985116.db2.gz YRCRKVGNXUMVMV-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001263955308 944044750 /nfs/dbraw/zinc/04/47/50/944044750.db2.gz JBYIECMROUBNGM-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001264994811 944196004 /nfs/dbraw/zinc/19/60/04/944196004.db2.gz JWMGLWBDNUJFLF-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001265443287 944388757 /nfs/dbraw/zinc/38/87/57/944388757.db2.gz WJZWKUSGQFKUQZ-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001265571256 944433231 /nfs/dbraw/zinc/43/32/31/944433231.db2.gz JGPJYWSXGVGTIL-ZQDZILKHSA-N 2 0 277.412 1.119 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC(=C)Cl)CC1 ZINC001265870187 944549533 /nfs/dbraw/zinc/54/95/33/944549533.db2.gz KWZDBZVJONXVDN-CYBMUJFWSA-N 2 0 297.830 1.178 10 30 CDEERP C=CCC[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001265917182 944572611 /nfs/dbraw/zinc/57/26/11/944572611.db2.gz GAHBVMOOACXHDN-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001266042971 944650498 /nfs/dbraw/zinc/65/04/98/944650498.db2.gz RHSFSLBDDDQTSR-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001261282989 946035846 /nfs/dbraw/zinc/03/58/46/946035846.db2.gz ANUBOGDTVMZJJW-HNNXBMFYSA-N 2 0 277.412 1.049 10 30 CDEERP C=CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001280993963 947791340 /nfs/dbraw/zinc/79/13/40/947791340.db2.gz AAZAZTCGZPKAMP-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001278988332 948503770 /nfs/dbraw/zinc/50/37/70/948503770.db2.gz DHOUDQVIKVATBW-KGLIPLIRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001278535360 949792271 /nfs/dbraw/zinc/79/22/71/949792271.db2.gz HDJAFZIPRBBQFI-ZOBUZTSGSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001480616193 971810159 /nfs/dbraw/zinc/81/01/59/971810159.db2.gz IMGWHGLYOWFEED-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001317165578 953497519 /nfs/dbraw/zinc/49/75/19/953497519.db2.gz IPNGDRRMYYWRBV-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[N@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001324668887 953506436 /nfs/dbraw/zinc/50/64/36/953506436.db2.gz JINYLRSISLSFOP-MRXNPFEDSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001569172829 1169702036 /nfs/dbraw/zinc/70/20/36/1169702036.db2.gz ACLBSOISXBIEPF-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001327145169 954735852 /nfs/dbraw/zinc/73/58/52/954735852.db2.gz CEFXBUWDXHXZLF-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001491599575 955307223 /nfs/dbraw/zinc/30/72/23/955307223.db2.gz ADBBNJOOYPRCGZ-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001328764661 955464940 /nfs/dbraw/zinc/46/49/40/955464940.db2.gz MMEVOBNEGSNWIZ-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CCCn1ccnc1C ZINC001329145886 955717131 /nfs/dbraw/zinc/71/71/31/955717131.db2.gz JYGMJIOWPWNCNF-ZIAGYGMSSA-N 2 0 290.411 1.478 10 30 CDEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001330069996 956262856 /nfs/dbraw/zinc/26/28/56/956262856.db2.gz IFGXXXDVESCUGM-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001330978229 956739284 /nfs/dbraw/zinc/73/92/84/956739284.db2.gz YLIDAWFZOHBLEU-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001494319794 972210121 /nfs/dbraw/zinc/21/01/21/972210121.db2.gz WAJVFRWZKLWELM-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001316836418 957058258 /nfs/dbraw/zinc/05/82/58/957058258.db2.gz XPUWPRYIRAIZOQ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001317126939 957289841 /nfs/dbraw/zinc/28/98/41/957289841.db2.gz BPACSRXCIQAPLM-NMWPEEMBSA-N 2 0 279.428 1.672 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001332325921 957519539 /nfs/dbraw/zinc/51/95/39/957519539.db2.gz DBCGDFBEDQZBAK-HOTGVXAUSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC001332516134 957602929 /nfs/dbraw/zinc/60/29/29/957602929.db2.gz JVCSAQHNNHQMKL-ZIAGYGMSSA-N 2 0 265.401 1.271 10 30 CDEERP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317789521 957666965 /nfs/dbraw/zinc/66/69/65/957666965.db2.gz ORAVBOGJLXCTPJ-GJZGRUSLSA-N 2 0 281.444 1.587 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001318155160 957947415 /nfs/dbraw/zinc/94/74/15/957947415.db2.gz PHHTWXGEVNKLQX-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001494843088 972321755 /nfs/dbraw/zinc/32/17/55/972321755.db2.gz WZFMULGCRQQSDY-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001319058899 958353910 /nfs/dbraw/zinc/35/39/10/958353910.db2.gz WNUNZACHIRYEJX-KGLIPLIRSA-N 2 0 265.401 1.237 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001319923124 958794226 /nfs/dbraw/zinc/79/42/26/958794226.db2.gz XVPRLJDCLAQXFC-OAHLLOKOSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001319943426 958800333 /nfs/dbraw/zinc/80/03/33/958800333.db2.gz JMQFUNKQXMUIRU-CYBMUJFWSA-N 2 0 267.417 1.245 10 30 CDEERP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]21 ZINC001320110887 958944440 /nfs/dbraw/zinc/94/44/40/958944440.db2.gz IZHDBBBOQXMOMO-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001320150131 958971653 /nfs/dbraw/zinc/97/16/53/958971653.db2.gz ZAMOWSZFYLQQLP-ZBFHGGJFSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320758510 959373286 /nfs/dbraw/zinc/37/32/86/959373286.db2.gz LJVCQEQWDZKNTB-ZDUSSCGKSA-N 2 0 289.851 1.763 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)CC1CC[NH+](C)CC1 ZINC001320863222 959428802 /nfs/dbraw/zinc/42/88/02/959428802.db2.gz NFZSGKJONFQVGL-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001495212428 972437907 /nfs/dbraw/zinc/43/79/07/972437907.db2.gz UABIQBRZNMYCQI-GASCZTMLSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001321188662 959644334 /nfs/dbraw/zinc/64/43/34/959644334.db2.gz JMZXGNXLCRDORL-LMVHVUTASA-N 2 0 265.401 1.309 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001335411960 959783324 /nfs/dbraw/zinc/78/33/24/959783324.db2.gz DZKVLPNOVMMMJP-KGLIPLIRSA-N 2 0 294.443 1.182 10 30 CDEERP C=CCC[NH2+]C[C@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001495294384 972468119 /nfs/dbraw/zinc/46/81/19/972468119.db2.gz SHHZHRYXIRMXDN-INIZCTEOSA-N 2 0 291.439 1.533 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001323064233 960428249 /nfs/dbraw/zinc/42/82/49/960428249.db2.gz QJMSRIWXJHBMSG-AWEZNQCLSA-N 2 0 281.444 1.635 10 30 CDEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001323613717 960864147 /nfs/dbraw/zinc/86/41/47/960864147.db2.gz JMOBPYSFTBVKBB-UONOGXRCSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH+]1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001323945410 961061532 /nfs/dbraw/zinc/06/15/32/961061532.db2.gz DSLUSCHRUJFTQO-CQSZACIVSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CCC[NH2+]1 ZINC001342738506 963813757 /nfs/dbraw/zinc/81/37/57/963813757.db2.gz MEONDTCTRZGJLF-GZBFAFLISA-N 2 0 265.401 1.128 10 30 CDEERP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001569481422 1169891342 /nfs/dbraw/zinc/89/13/42/1169891342.db2.gz VTOHYAKEJFWKEY-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001496054463 972776897 /nfs/dbraw/zinc/77/68/97/972776897.db2.gz GYTZMXLCHHHGIN-GJZGRUSLSA-N 2 0 279.428 1.319 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497222271 973251404 /nfs/dbraw/zinc/25/14/04/973251404.db2.gz VGVSGPDTFNLHKI-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001498786389 974062573 /nfs/dbraw/zinc/06/25/73/974062573.db2.gz PKAWFEKKAGEFGG-HNNXBMFYSA-N 2 0 291.439 1.675 10 30 CDEERP C=C(C)CC[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001499997993 974351002 /nfs/dbraw/zinc/35/10/02/974351002.db2.gz ZKPAUOSRAMXVHH-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001503577623 974824715 /nfs/dbraw/zinc/82/47/15/974824715.db2.gz OTYWVVHVOVQRJD-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001376957614 974830088 /nfs/dbraw/zinc/83/00/88/974830088.db2.gz XYQXYNPPXXFGRK-QWHCGFSZSA-N 2 0 287.835 1.517 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001505532661 974902148 /nfs/dbraw/zinc/90/21/48/974902148.db2.gz LXHIKSASHYMOIJ-DQPZFDDXSA-N 2 0 291.439 1.533 10 30 CDEERP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001506741402 975213802 /nfs/dbraw/zinc/21/38/02/975213802.db2.gz GIFWZIZLCLHRHS-ZIAGYGMSSA-N 2 0 299.434 1.679 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001674723158 1173998966 /nfs/dbraw/zinc/99/89/66/1173998966.db2.gz WHMLIFOZEIHAEV-CHWSQXEVSA-N 2 0 267.417 1.387 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCCC1 ZINC001675209499 1174083343 /nfs/dbraw/zinc/08/33/43/1174083343.db2.gz JTUBPAAFJPULEA-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001675480644 1174119010 /nfs/dbraw/zinc/11/90/10/1174119010.db2.gz RGLLWCUVPPKHIR-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001677251864 1174342371 /nfs/dbraw/zinc/34/23/71/1174342371.db2.gz AHNFQPKQWQAXFB-RBSFLKMASA-N 2 0 293.455 1.470 10 30 CDEERP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001569915633 1170037165 /nfs/dbraw/zinc/03/71/65/1170037165.db2.gz SYQMXLYGUOAUCN-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001570117030 1170086023 /nfs/dbraw/zinc/08/60/23/1170086023.db2.gz URARXVUPAURXHI-UHFFFAOYSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001570445571 1170160021 /nfs/dbraw/zinc/16/00/21/1170160021.db2.gz NPXFQTYWESHIGC-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC=C)CC1 ZINC001570654065 1170224216 /nfs/dbraw/zinc/22/42/16/1170224216.db2.gz ZNIYOTHMKOPJKX-HUUCEWRRSA-N 2 0 291.439 1.391 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001571565594 1170479039 /nfs/dbraw/zinc/47/90/39/1170479039.db2.gz CFGCHTMBHVAQJF-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)CC(C)(C)C1 ZINC001657105742 1171930834 /nfs/dbraw/zinc/93/08/34/1171930834.db2.gz BLRAEDNBHPWZFV-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000591570966 342637318 /nfs/dbraw/zinc/63/73/18/342637318.db2.gz LPTCLXNJLAXKQR-SWLSCSKDSA-N 2 0 261.369 1.963 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000594438454 342906294 /nfs/dbraw/zinc/90/62/94/342906294.db2.gz INKSFKVIWFDJSN-GJZGRUSLSA-N 2 0 292.427 1.342 10 30 CDEERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438275 342906395 /nfs/dbraw/zinc/90/63/95/342906395.db2.gz IFKUBLSWMYSBGU-ILXRZTDVSA-N 2 0 292.427 1.483 10 30 CDEERP C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C(C)(C)C[NH+](C)C ZINC000594439453 342906818 /nfs/dbraw/zinc/90/68/18/342906818.db2.gz QRGDDYMJYUZOIA-CHWSQXEVSA-N 2 0 282.432 1.490 10 30 CDEERP C[NH2+]Cc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594444602 342908358 /nfs/dbraw/zinc/90/83/58/342908358.db2.gz VGDWHPCNKPOOIN-CQSZACIVSA-N 2 0 274.368 1.756 10 30 CDEERP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CC[NH3+] ZINC000594454115 342911158 /nfs/dbraw/zinc/91/11/58/342911158.db2.gz TYNDOECTADRUMN-MCIONIFRSA-N 2 0 280.416 1.374 10 30 CDEERP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600719894 342244567 /nfs/dbraw/zinc/24/45/67/342244567.db2.gz FLUAYAORAJXLNA-CABCVRRESA-N 2 0 279.428 1.751 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000594456552 342911652 /nfs/dbraw/zinc/91/16/52/342911652.db2.gz QJAMVKVYFCYYNF-QWHCGFSZSA-N 2 0 266.389 1.031 10 30 CDEERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000596577333 343353837 /nfs/dbraw/zinc/35/38/37/343353837.db2.gz CZPSFDLKELTMNX-CYBMUJFWSA-N 2 0 282.432 1.634 10 30 CDEERP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCOCCC[NH3+])CC2 ZINC000600710000 349876845 /nfs/dbraw/zinc/87/68/45/349876845.db2.gz MJWXBYIAAMAYJP-HNNXBMFYSA-N 2 0 259.353 1.501 10 30 CDEERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000600712284 349877163 /nfs/dbraw/zinc/87/71/63/349877163.db2.gz WDSYVDVCAXDVFO-LLVKDONJSA-N 2 0 265.332 1.584 10 30 CDEERP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000594436315 358624517 /nfs/dbraw/zinc/62/45/17/358624517.db2.gz DBAWWIWMPYCKQS-KGLIPLIRSA-N 2 0 278.400 1.093 10 30 CDEERP CCN(CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@@H](C)C#N ZINC000157646311 360937083 /nfs/dbraw/zinc/93/70/83/360937083.db2.gz FMBFEGYUFDNTMM-ZDUSSCGKSA-N 2 0 292.427 1.211 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001661842622 1172455127 /nfs/dbraw/zinc/45/51/27/1172455127.db2.gz QWKJRUJYERTXKD-OAHLLOKOSA-N 2 0 279.428 1.487 10 30 CDEERP C=CCC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336482 412904436 /nfs/dbraw/zinc/90/44/36/412904436.db2.gz DLPVPFOCNIWFPD-CQSZACIVSA-N 2 0 289.427 1.575 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001663397030 1172688333 /nfs/dbraw/zinc/68/83/33/1172688333.db2.gz RHJFWYZJQCUQFA-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)[C@H](CO)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000649272355 393296336 /nfs/dbraw/zinc/29/63/36/393296336.db2.gz OXJVTGJBJTWYDX-INIZCTEOSA-N 2 0 282.428 1.358 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001663689225 1172747660 /nfs/dbraw/zinc/74/76/60/1172747660.db2.gz ZXFYEQHTAUDXBL-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP N#Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000311823671 149220813 /nfs/dbraw/zinc/22/08/13/149220813.db2.gz FEKMWRRJCNGGTC-IYBDPMFKSA-N 2 0 255.365 1.990 10 30 CDEERP C=CC[NH+](CC=C)[C@H](CNC(=O)CC1([NH3+])CC1)C(C)C ZINC000662681904 413302138 /nfs/dbraw/zinc/30/21/38/413302138.db2.gz NCZCMCXVLNEAOG-CQSZACIVSA-N 2 0 279.428 1.683 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H](C)C[NH+]2CCCC2)CCC[NH2+]1 ZINC000662688093 413315763 /nfs/dbraw/zinc/31/57/63/413315763.db2.gz MJGMKRDSNMEMKT-GOEBONIOSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000662700337 413339988 /nfs/dbraw/zinc/33/99/88/413339988.db2.gz HLXZIXQZMJZBPK-DZGCQCFKSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H](CC[NH+](C)C)OCC)CCC[NH2+]1 ZINC000662748603 413426880 /nfs/dbraw/zinc/42/68/80/413426880.db2.gz CGMVGTOPWMYAAH-GDBMZVCRSA-N 2 0 297.443 1.158 10 30 CDEERP C[NH+](C)CC1CC[NH+](Cc2cc(C#CCO)cs2)CC1 ZINC000043698642 175096630 /nfs/dbraw/zinc/09/66/30/175096630.db2.gz IMSYTCTXVXUEPX-UHFFFAOYSA-N 2 0 292.448 1.866 10 30 CDEERP C[NH+]1CCC(CNC(=O)c2ccccc2C#CC[NH3+])CC1 ZINC000044527360 175192683 /nfs/dbraw/zinc/19/26/83/175192683.db2.gz DEWSSSZKCLUBSQ-UHFFFAOYSA-N 2 0 285.391 1.068 10 30 CDEERP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#CC[NH3+])s2)C1 ZINC000044560318 175204104 /nfs/dbraw/zinc/20/41/04/175204104.db2.gz UEQHMDBYOZHBQT-GFCCVEGCSA-N 2 0 291.420 1.130 10 30 CDEERP CCN[C@](C)(C#N)CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315764 175358060 /nfs/dbraw/zinc/35/80/60/175358060.db2.gz LVVZKAOTLPARNN-INIZCTEOSA-N 2 0 280.460 1.932 10 30 CDEERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc(C#CC[NH3+])c1 ZINC000071192980 176074764 /nfs/dbraw/zinc/07/47/64/176074764.db2.gz XDYIDBCSTFOGJT-OAHLLOKOSA-N 2 0 285.391 1.021 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001665947908 1173089641 /nfs/dbraw/zinc/08/96/41/1173089641.db2.gz ATDKVFYZQRDIDE-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)CCC[NH2+]1 ZINC000662794466 424487414 /nfs/dbraw/zinc/48/74/14/424487414.db2.gz PZCKLCOSDOIJDN-ZBFHGGJFSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001667344541 1173256464 /nfs/dbraw/zinc/25/64/64/1173256464.db2.gz DHYRANGVAQHSRA-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001672838884 1173803716 /nfs/dbraw/zinc/80/37/16/1173803716.db2.gz GOYQKWSFQFTJNZ-ZIAGYGMSSA-N 2 0 299.846 1.661 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1CC)NC1CCC1 ZINC000262403409 330008347 /nfs/dbraw/zinc/00/83/47/330008347.db2.gz AKAGHODNNHNRME-ZDUSSCGKSA-N 2 0 252.406 1.578 10 30 CDEERP C[NH+]=C(NC1CCC1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262809514 330033215 /nfs/dbraw/zinc/03/32/15/330033215.db2.gz URSDEGBOYZUERW-ZYHUDNBSSA-N 2 0 250.390 1.329 10 30 CDEERP CC[NH+]=C(NC1CCC1)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000262816027 330033779 /nfs/dbraw/zinc/03/37/79/330033779.db2.gz WQWOPLOAQYDNOZ-AWEZNQCLSA-N 2 0 266.433 1.921 10 30 CDEERP N#CC1(C[C@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000528402253 330282445 /nfs/dbraw/zinc/28/24/45/330282445.db2.gz FVSOAMRSZMFGJM-HNNXBMFYSA-N 2 0 286.379 1.258 10 30 CDEERP C=CCC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001731868258 1159358126 /nfs/dbraw/zinc/35/81/26/1159358126.db2.gz WDQLDQHYPUNPHF-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH+]1CC[C@@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267536722 1159444323 /nfs/dbraw/zinc/44/43/23/1159444323.db2.gz ZDODLXPMMCGVFL-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCC)CC1 ZINC001699474115 1159705481 /nfs/dbraw/zinc/70/54/81/1159705481.db2.gz JDCSUOAXSXPIAA-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001271678847 1160347348 /nfs/dbraw/zinc/34/73/48/1160347348.db2.gz UAOGOCQYVKOBHQ-LSDHHAIUSA-N 2 0 291.439 1.485 10 30 CDEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001670846290 1160576357 /nfs/dbraw/zinc/57/63/57/1160576357.db2.gz SZVDLNYFDZBTIS-AWEZNQCLSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001733101530 1183291638 /nfs/dbraw/zinc/29/16/38/1183291638.db2.gz MWNMVSJOEXURIB-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001733998784 1183608902 /nfs/dbraw/zinc/60/89/02/1183608902.db2.gz DUQYUDBRDINLIE-ZIAGYGMSSA-N 2 0 267.417 1.224 10 30 CDEERP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001734286343 1183713619 /nfs/dbraw/zinc/71/36/19/1183713619.db2.gz CKUYELPLLGXXQF-KGLIPLIRSA-N 2 0 267.417 1.387 10 30 CDEERP [NH3+]CC#Cc1cccc(C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052763116 527151760 /nfs/dbraw/zinc/15/17/60/527151760.db2.gz OZABUSDTEAHSFW-KRWDZBQOSA-N 2 0 272.392 1.734 10 30 CDEERP C=CCC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000923424570 618329927 /nfs/dbraw/zinc/32/99/27/618329927.db2.gz GIIUVYMWTVDIOC-GARJFASQSA-N 2 0 266.307 1.383 10 30 CDEERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902839267 625493044 /nfs/dbraw/zinc/49/30/44/625493044.db2.gz PWLPINIKAFNVHM-DZGCQCFKSA-N 2 0 290.411 1.961 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[NH+]1CCCCC1 ZINC000900207269 622803763 /nfs/dbraw/zinc/80/37/63/622803763.db2.gz SADBRFNTEIQHIZ-UHFFFAOYSA-N 2 0 253.390 1.096 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+](CC)C(C)C ZINC000900699213 623383253 /nfs/dbraw/zinc/38/32/53/623383253.db2.gz IOJSRRVXFGBXEM-UHFFFAOYSA-N 2 0 255.406 1.341 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000900705923 623387512 /nfs/dbraw/zinc/38/75/12/623387512.db2.gz OBZAGDIXSLIQFC-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000901308686 624104950 /nfs/dbraw/zinc/10/49/50/624104950.db2.gz RKUPXCVZNBZHOM-QWHCGFSZSA-N 2 0 253.390 1.045 10 30 CDEERP C=CC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCS(=O)(=O)C1 ZINC000903885351 626132920 /nfs/dbraw/zinc/13/29/20/626132920.db2.gz FPALFFZZBPZYJR-DKUMPPAJSA-N 2 0 298.452 1.192 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000911580049 629337987 /nfs/dbraw/zinc/33/79/87/629337987.db2.gz QHSBCZAJNWDGAY-STQMWFEESA-N 2 0 267.417 1.339 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000912733563 630186195 /nfs/dbraw/zinc/18/61/95/630186195.db2.gz VBAMREBOFYREMP-HNNXBMFYSA-N 2 0 297.443 1.064 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000913647557 630726143 /nfs/dbraw/zinc/72/61/43/630726143.db2.gz WBQUPZLMOYSHIB-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000916362923 631976659 /nfs/dbraw/zinc/97/66/59/631976659.db2.gz UUYBJNRYGPWCJV-AWEZNQCLSA-N 2 0 294.443 1.114 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001670521707 1158629167 /nfs/dbraw/zinc/62/91/67/1158629167.db2.gz AWLMSOHLGJGEDN-GOEBONIOSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266866757 1158928265 /nfs/dbraw/zinc/92/82/65/1158928265.db2.gz DMWVSNOJEVSEOH-QLFBSQMISA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691184159 1158950138 /nfs/dbraw/zinc/95/01/38/1158950138.db2.gz BXRRIUVTZYWVJV-JONQDZQNSA-N 2 0 293.455 1.777 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001691229582 1158966312 /nfs/dbraw/zinc/96/63/12/1158966312.db2.gz ABKBTCUIKQPNOU-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001283261731 1158980137 /nfs/dbraw/zinc/98/01/37/1158980137.db2.gz SBUHDVLKPJDLIK-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001671342725 1158638971 /nfs/dbraw/zinc/63/89/71/1158638971.db2.gz RVHNAUWAHPIWFI-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267032706 1159093894 /nfs/dbraw/zinc/09/38/94/1159093894.db2.gz LGTICAIGIPUOMZ-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001565872025 1168193729 /nfs/dbraw/zinc/19/37/29/1168193729.db2.gz WPJZSKXWDSQMQB-VGWMRTNUSA-N 2 0 291.439 1.224 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001566723091 1168400022 /nfs/dbraw/zinc/40/00/22/1168400022.db2.gz VXNHJRDWFKBNSS-HOTGVXAUSA-N 2 0 291.439 1.367 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001566909903 1168462970 /nfs/dbraw/zinc/46/29/70/1168462970.db2.gz HWTRLTJPYRNRKV-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001566940809 1168476137 /nfs/dbraw/zinc/47/61/37/1168476137.db2.gz RJDQWPSCWKHVGB-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001568176671 1169163327 /nfs/dbraw/zinc/16/33/27/1169163327.db2.gz WYHLYPOGZVKXCO-LBPRGKRZSA-N 2 0 295.452 1.951 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001568950612 1169561154 /nfs/dbraw/zinc/56/11/54/1169561154.db2.gz KBQGEZYJMLSGER-JTUDCUDASA-N 2 0 293.455 1.945 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001569096994 1169642756 /nfs/dbraw/zinc/64/27/56/1169642756.db2.gz GUHDONNPSPZGLO-ZDUSSCGKSA-N 2 0 253.390 1.143 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001569302735 1169755673 /nfs/dbraw/zinc/75/56/73/1169755673.db2.gz BBLIXBBYPGZIRO-CVEARBPZSA-N 2 0 293.455 1.920 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001569386797 1169842251 /nfs/dbraw/zinc/84/22/51/1169842251.db2.gz VWJTVVMGMHMZNY-OAHLLOKOSA-N 2 0 277.412 1.076 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001569823618 1170007366 /nfs/dbraw/zinc/00/73/66/1170007366.db2.gz HNAUAXIEUFKUJQ-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001569823616 1170007398 /nfs/dbraw/zinc/00/73/98/1170007398.db2.gz HNAUAXIEUFKUJQ-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001570543672 1170185703 /nfs/dbraw/zinc/18/57/03/1170185703.db2.gz LGMVOMZLJNTQGP-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001570564818 1170190729 /nfs/dbraw/zinc/19/07/29/1170190729.db2.gz KTVUFRHEHCVXFK-NRXISQOPSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001657070761 1171923778 /nfs/dbraw/zinc/92/37/78/1171923778.db2.gz DHLBQPMUJUTZKL-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C#C[C@H](C)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001659172685 1172104767 /nfs/dbraw/zinc/10/47/67/1172104767.db2.gz OGPAYMRXUJJSJP-NFOMZHRRSA-N 2 0 250.386 1.631 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001661162278 1172346965 /nfs/dbraw/zinc/34/69/65/1172346965.db2.gz FSHZDELMNYNQGQ-UONOGXRCSA-N 2 0 267.417 1.243 10 30 CDEERP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001661275668 1172363390 /nfs/dbraw/zinc/36/33/90/1172363390.db2.gz AJNVFQMLSGDPTD-IYBDPMFKSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001661807206 1172449388 /nfs/dbraw/zinc/44/93/88/1172449388.db2.gz AXMRFRKXPBYABX-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001662797239 1172596274 /nfs/dbraw/zinc/59/62/74/1172596274.db2.gz PDUZAHXOCLUJBI-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001664578749 1172870940 /nfs/dbraw/zinc/87/09/40/1172870940.db2.gz TVARYOHMXRHOPJ-INIZCTEOSA-N 2 0 299.418 1.551 10 30 CDEERP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001669867938 1173620689 /nfs/dbraw/zinc/62/06/89/1173620689.db2.gz LRBVMKBTYUCJLJ-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001672863494 1173805398 /nfs/dbraw/zinc/80/53/98/1173805398.db2.gz MXKBTBVJNUCWDM-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001688946288 1175074340 /nfs/dbraw/zinc/07/43/40/1175074340.db2.gz WCSOQRHOZWAUDQ-BZUAXINKSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001690708299 1175553568 /nfs/dbraw/zinc/55/35/68/1175553568.db2.gz NSQKBLDRDJDWBX-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@](C)(NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001698670083 1175891502 /nfs/dbraw/zinc/89/15/02/1175891502.db2.gz FKBBACTVCKKVJP-KRWDZBQOSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001698969027 1176000274 /nfs/dbraw/zinc/00/02/74/1176000274.db2.gz VHFQPBNQNKBAGC-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001699065607 1176066957 /nfs/dbraw/zinc/06/69/57/1176066957.db2.gz QRYLWXKNZGSYHY-CABCVRRESA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699317453 1176220077 /nfs/dbraw/zinc/22/00/77/1176220077.db2.gz KEVOQCBUYZSZCO-HJWRWDBZSA-N 2 0 291.439 1.394 10 30 CDEERP C=CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001699702982 1176571669 /nfs/dbraw/zinc/57/16/69/1176571669.db2.gz DIJUPTLNIVYLLZ-KRWDZBQOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001700275151 1176827534 /nfs/dbraw/zinc/82/75/34/1176827534.db2.gz CQVORSKWCBVOIL-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001700358172 1176872797 /nfs/dbraw/zinc/87/27/97/1176872797.db2.gz UQMDDZLBXPJKON-MRXNPFEDSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001700479163 1176969084 /nfs/dbraw/zinc/96/90/84/1176969084.db2.gz UYCOADSVROASKS-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001700486901 1176975927 /nfs/dbraw/zinc/97/59/27/1176975927.db2.gz HAVSUSHEKMINPY-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001700714867 1177087943 /nfs/dbraw/zinc/08/79/43/1177087943.db2.gz VFAWEZIGNMGZSW-ZIAGYGMSSA-N 2 0 267.417 1.245 10 30 CDEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001700731784 1177097818 /nfs/dbraw/zinc/09/78/18/1177097818.db2.gz WAPQBOLAEPOZRB-INIZCTEOSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001707094718 1177950653 /nfs/dbraw/zinc/95/06/53/1177950653.db2.gz YUAUGEKIUUCWGN-WKILWMFISA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001707450782 1178053992 /nfs/dbraw/zinc/05/39/92/1178053992.db2.gz HIUQGOZJFDPWOO-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001712939443 1178251090 /nfs/dbraw/zinc/25/10/90/1178251090.db2.gz MPZIEULEWOIBEX-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001713134541 1178386462 /nfs/dbraw/zinc/38/64/62/1178386462.db2.gz PECSFTFOQRNQPY-HOTGVXAUSA-N 2 0 293.455 1.685 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001713278136 1178462546 /nfs/dbraw/zinc/46/25/46/1178462546.db2.gz REWWEEUSDYRXQD-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001713493745 1178606022 /nfs/dbraw/zinc/60/60/22/1178606022.db2.gz SOIQDUNZNBILEF-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001713609585 1178679795 /nfs/dbraw/zinc/67/97/95/1178679795.db2.gz MFVABRYXQGMQLJ-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001713664619 1178701352 /nfs/dbraw/zinc/70/13/52/1178701352.db2.gz AFTXGCCDICGVPO-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP C#CCC[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001713737456 1178730648 /nfs/dbraw/zinc/73/06/48/1178730648.db2.gz GMWFWFIJWHHPNR-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001714005324 1178923853 /nfs/dbraw/zinc/92/38/53/1178923853.db2.gz CIBLKXVYLPJHEY-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001714117035 1178980594 /nfs/dbraw/zinc/98/05/94/1178980594.db2.gz YVVKATKRGSWZSK-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001714242173 1179041606 /nfs/dbraw/zinc/04/16/06/1179041606.db2.gz WVSFBVUKXWNWEK-ZFWWWQNUSA-N 2 0 279.428 1.674 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714311019 1179081016 /nfs/dbraw/zinc/08/10/16/1179081016.db2.gz XFMWNFOZZXFXJY-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001714351960 1179101741 /nfs/dbraw/zinc/10/17/41/1179101741.db2.gz WZLRANMPTBMIQO-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001714367815 1179107700 /nfs/dbraw/zinc/10/77/00/1179107700.db2.gz TYHOJVZWVASAGK-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001714651110 1179299602 /nfs/dbraw/zinc/29/96/02/1179299602.db2.gz VMACRWWQMLZKTP-AWEZNQCLSA-N 2 0 281.444 1.588 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001714773002 1179389481 /nfs/dbraw/zinc/38/94/81/1179389481.db2.gz PUAFMFNOFCZEJT-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)C(C)C)C1 ZINC001714868880 1179430772 /nfs/dbraw/zinc/43/07/72/1179430772.db2.gz XVPDPLNVQMVDNA-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C(C)C ZINC001715492581 1179681932 /nfs/dbraw/zinc/68/19/32/1179681932.db2.gz QQPLEXUIGPKUSD-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001715712001 1179772596 /nfs/dbraw/zinc/77/25/96/1179772596.db2.gz GSTQZQUJRSIOKE-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001715711998 1179772809 /nfs/dbraw/zinc/77/28/09/1179772809.db2.gz GSTQZQUJRSIOKE-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001715830111 1179854832 /nfs/dbraw/zinc/85/48/32/1179854832.db2.gz XLJIXOSCNMIMBQ-WAYWQWQTSA-N 2 0 265.401 1.309 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001716008026 1179979856 /nfs/dbraw/zinc/97/98/56/1179979856.db2.gz UKZFYGOQXDUCNT-HNNXBMFYSA-N 2 0 279.428 1.370 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001716143612 1180069915 /nfs/dbraw/zinc/06/99/15/1180069915.db2.gz YWERVMCYLPWIQT-QLFBSQMISA-N 2 0 279.428 1.224 10 30 CDEERP C=CCCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716585444 1180294203 /nfs/dbraw/zinc/29/42/03/1180294203.db2.gz OARMACVPUXVZBT-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001716618749 1180308351 /nfs/dbraw/zinc/30/83/51/1180308351.db2.gz KCPAEWAIDKXDSU-BPUTZDHNSA-N 2 0 291.439 1.224 10 30 CDEERP C=CCCC[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001716668123 1180352224 /nfs/dbraw/zinc/35/22/24/1180352224.db2.gz OAYGPPRWPROOKJ-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001716681679 1180366171 /nfs/dbraw/zinc/36/61/71/1180366171.db2.gz UUPDCEOIMCKYLX-CQSZACIVSA-N 2 0 277.412 1.121 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001716789774 1180416053 /nfs/dbraw/zinc/41/60/53/1180416053.db2.gz FOJXQMMJSOBLRJ-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001717337479 1180620710 /nfs/dbraw/zinc/62/07/10/1180620710.db2.gz KWRMGQLNYOWQCN-KBPBESRZSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001717456522 1180679305 /nfs/dbraw/zinc/67/93/05/1180679305.db2.gz AFFZEXWSEKWKIE-HNNXBMFYSA-N 2 0 293.455 1.426 10 30 CDEERP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001717588071 1180751067 /nfs/dbraw/zinc/75/10/67/1180751067.db2.gz SBRXSNCMNKPRPE-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001717880836 1180911433 /nfs/dbraw/zinc/91/14/33/1180911433.db2.gz IWWUCEHSDWZTDV-HOTGVXAUSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001717971456 1180952076 /nfs/dbraw/zinc/95/20/76/1180952076.db2.gz LHCZWXRSJQQHOV-CYBMUJFWSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001723748938 1181600362 /nfs/dbraw/zinc/60/03/62/1181600362.db2.gz WHDQUCJJBPNJSY-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001723815660 1181607293 /nfs/dbraw/zinc/60/72/93/1181607293.db2.gz XMTJYUASQZGWDV-AWEZNQCLSA-N 2 0 279.428 1.580 10 30 CDEERP C#CC[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001724188176 1181649133 /nfs/dbraw/zinc/64/91/33/1181649133.db2.gz HDTOOYPTZJUNCQ-KRWDZBQOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001724589124 1181700229 /nfs/dbraw/zinc/70/02/29/1181700229.db2.gz YHXBIRUKXLPPLK-KBPBESRZSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001724849866 1181774700 /nfs/dbraw/zinc/77/47/00/1181774700.db2.gz ASZQZTSPXQTOAO-INIZCTEOSA-N 2 0 293.455 1.663 10 30 CDEERP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001725194544 1181918033 /nfs/dbraw/zinc/91/80/33/1181918033.db2.gz LBXZBNYPWLHUDJ-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001725337307 1181966000 /nfs/dbraw/zinc/96/60/00/1181966000.db2.gz PDIMEBWBWITVGP-HRCADAONSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@@]2(C)C1 ZINC001725346224 1181967132 /nfs/dbraw/zinc/96/71/32/1181967132.db2.gz BFGRJQRSRZGUAP-CALCHBBNSA-N 2 0 291.439 1.130 10 30 CDEERP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001725629202 1182078126 /nfs/dbraw/zinc/07/81/26/1182078126.db2.gz MDDGZJNBYDTOCX-YQQAZPJKSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001725636425 1182080686 /nfs/dbraw/zinc/08/06/86/1182080686.db2.gz QZXFJEFELZTAFJ-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)C ZINC001725752077 1182121238 /nfs/dbraw/zinc/12/12/38/1182121238.db2.gz LAIOVSXCBZRTIG-HNNXBMFYSA-N 2 0 295.471 1.862 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001731698474 1182522539 /nfs/dbraw/zinc/52/25/39/1182522539.db2.gz IJPCDZRTQBOKRP-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001731875933 1182644054 /nfs/dbraw/zinc/64/40/54/1182644054.db2.gz WPJXADGRRCCCRH-MRXNPFEDSA-N 2 0 291.439 1.463 10 30 CDEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001731994938 1182718248 /nfs/dbraw/zinc/71/82/48/1182718248.db2.gz TVGDXPTYZDFBPU-HOCLYGCPSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001732078753 1182755639 /nfs/dbraw/zinc/75/56/39/1182755639.db2.gz BEJTWFONFGODOC-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001732826246 1183145038 /nfs/dbraw/zinc/14/50/38/1183145038.db2.gz NPABESPHVDHCHU-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001732914052 1183182095 /nfs/dbraw/zinc/18/20/95/1183182095.db2.gz OEGXCLOIPQRPMH-ONEGZZNKSA-N 2 0 299.846 1.733 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001733050011 1183264079 /nfs/dbraw/zinc/26/40/79/1183264079.db2.gz NYFQYKVIXKWJOX-KKUMJFAQSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001733167559 1183312717 /nfs/dbraw/zinc/31/27/17/1183312717.db2.gz WQHSMEIUXWIFPT-CABCVRRESA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001733444525 1183435059 /nfs/dbraw/zinc/43/50/59/1183435059.db2.gz BTKRWKXXOAZRCN-OAHLLOKOSA-N 2 0 265.401 1.096 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001733678396 1183495633 /nfs/dbraw/zinc/49/56/33/1183495633.db2.gz XDKGHRLFXACJDA-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)C[C@@H](C)n1ccnc1 ZINC001733778828 1183530498 /nfs/dbraw/zinc/53/04/98/1183530498.db2.gz NRFIEZDLWBVJOF-CQSZACIVSA-N 2 0 276.384 1.248 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001734494903 1183801350 /nfs/dbraw/zinc/80/13/50/1183801350.db2.gz DIMBIFQDBVKZKU-RBSFLKMASA-N 2 0 291.439 1.177 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)CC1(C)C ZINC001734508542 1183802523 /nfs/dbraw/zinc/80/25/23/1183802523.db2.gz MSMOUQLHAJIYBC-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703918 735330243 /nfs/dbraw/zinc/33/02/43/735330243.db2.gz QDONDZBIKVAONK-KRWDZBQOSA-N 2 0 293.455 1.884 10 30 CDEERP N#Cc1cc(C[NH2+][C@H]2CCn3ccnc3C2)cs1 ZINC000922016868 735817739 /nfs/dbraw/zinc/81/77/39/735817739.db2.gz IYGKLXUOAWOOOC-NSHDSACASA-N 2 0 258.350 1.921 10 30 CDEERP CCOCCCNC(=[NH2+])NC[C@@H](C)[NH+](CC)CC ZINC000303909635 733227381 /nfs/dbraw/zinc/22/73/81/733227381.db2.gz YJIYFBQQWDXJRC-GFCCVEGCSA-N 2 0 258.410 1.048 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000876538774 733418791 /nfs/dbraw/zinc/41/87/91/733418791.db2.gz WSBHGJVQVXMGIV-CYBMUJFWSA-N 2 0 285.819 1.447 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000876530607 733697703 /nfs/dbraw/zinc/69/77/03/733697703.db2.gz XWFNCANQBNNKLK-CYBMUJFWSA-N 2 0 293.798 1.894 10 30 CDEERP C=C(CC)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875651402 733726446 /nfs/dbraw/zinc/72/64/46/733726446.db2.gz RLKDMWGBVZXBNC-HUUCEWRRSA-N 2 0 296.459 1.333 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000877452290 733911900 /nfs/dbraw/zinc/91/19/00/733911900.db2.gz WJPLAAJDAJPTKA-SRVKXCTJSA-N 2 0 271.792 1.151 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC000872300733 734071323 /nfs/dbraw/zinc/07/13/23/734071323.db2.gz LUUBTRWGVMRXDH-JTQLQIEISA-N 2 0 259.781 1.057 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000876829880 734392123 /nfs/dbraw/zinc/39/21/23/734392123.db2.gz STAIWFNIFPRVAL-LBPRGKRZSA-N 2 0 285.819 1.449 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000877269595 734506721 /nfs/dbraw/zinc/50/67/21/734506721.db2.gz AOFVMELHFNYLQT-WCQYABFASA-N 2 0 293.798 1.621 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000876783311 735278501 /nfs/dbraw/zinc/27/85/01/735278501.db2.gz YZMFWHYFEIDHBB-ZHAHWJHGSA-N 2 0 271.792 1.055 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000876723737 735714049 /nfs/dbraw/zinc/71/40/49/735714049.db2.gz GMWOXRILESSVBE-NEPJUHHUSA-N 2 0 273.808 1.447 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000876775103 735863038 /nfs/dbraw/zinc/86/30/38/735863038.db2.gz OIBSKEMTDZDXAV-RYUDHWBXSA-N 2 0 273.808 1.257 10 30 CDEERP C[NH+](C)Cc1cccc(CNC(=[NH2+])NC[C@@H]2CCCO2)c1 ZINC000161496348 736094717 /nfs/dbraw/zinc/09/47/17/736094717.db2.gz BEXMVNGYWDISNR-HNNXBMFYSA-N 2 0 290.411 1.332 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001633647160 1166440843 /nfs/dbraw/zinc/44/08/43/1166440843.db2.gz AFAZLVBGNLRSLZ-OAHLLOKOSA-N 2 0 289.423 1.741 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001275038926 1166654830 /nfs/dbraw/zinc/65/48/30/1166654830.db2.gz OJYREOFSOKTBGD-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001570653067 1167581796 /nfs/dbraw/zinc/58/17/96/1167581796.db2.gz MQWBGDNPIMBMLW-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001566893348 1168039848 /nfs/dbraw/zinc/03/98/48/1168039848.db2.gz FVAZECOISAGWER-OWCLPIDISA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001567103274 1168046561 /nfs/dbraw/zinc/04/65/61/1168046561.db2.gz YQAQRZDJQZVWAE-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001565878831 1168065437 /nfs/dbraw/zinc/06/54/37/1168065437.db2.gz ZKRVOTSRVZAZCD-AJNGGQMLSA-N 2 0 279.428 1.530 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001566785076 1168420447 /nfs/dbraw/zinc/42/04/47/1168420447.db2.gz CFRXBKWUIKHUOQ-ZQDZILKHSA-N 2 0 279.428 1.672 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001566802629 1168427916 /nfs/dbraw/zinc/42/79/16/1168427916.db2.gz ZMLSAYGZUXUDDN-SHTZXODSSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+]C1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001566984744 1168487825 /nfs/dbraw/zinc/48/78/25/1168487825.db2.gz ANBANSFPRUCZCI-GPANFISMSA-N 2 0 291.439 1.511 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001567173541 1168605631 /nfs/dbraw/zinc/60/56/31/1168605631.db2.gz MXKHNQBKUKPMJM-HOTGVXAUSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001272342540 912892958 /nfs/dbraw/zinc/89/29/58/912892958.db2.gz HSDWFDGLVFPMQA-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001266324934 894392482 /nfs/dbraw/zinc/39/24/82/894392482.db2.gz GNDCNRMONIPONH-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266361279 894565185 /nfs/dbraw/zinc/56/51/85/894565185.db2.gz KHPVZIVFRQLFPQ-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266816484 896112447 /nfs/dbraw/zinc/11/24/47/896112447.db2.gz DJAZPEPCVNEBJI-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267308048 897552850 /nfs/dbraw/zinc/55/28/50/897552850.db2.gz YTRZWRWOYQDHLL-HZPDHXFCSA-N 2 0 295.471 1.977 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001267503688 898177021 /nfs/dbraw/zinc/17/70/21/898177021.db2.gz VRQYCZGMFXLHNY-UHFFFAOYSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001481008178 898475300 /nfs/dbraw/zinc/47/53/00/898475300.db2.gz HREWSCUKYMXINH-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001267847762 899865650 /nfs/dbraw/zinc/86/56/50/899865650.db2.gz BIPPQZKCYQGIBP-HOCLYGCPSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001567701106 1168925778 /nfs/dbraw/zinc/92/57/78/1168925778.db2.gz BQUOZJSKAYTPAR-CVEARBPZSA-N 2 0 293.455 1.424 10 30 CDEERP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001567730299 1168939497 /nfs/dbraw/zinc/93/94/97/1168939497.db2.gz YUUGFVDOISYODE-BZUAXINKSA-N 2 0 293.455 1.683 10 30 CDEERP C=C(C)CC[NH+]1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001481605117 901435884 /nfs/dbraw/zinc/43/58/84/901435884.db2.gz VMLNHFKQLLHDGT-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCCC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001268222830 901596440 /nfs/dbraw/zinc/59/64/40/901596440.db2.gz KUXORONJACFFDJ-OAHLLOKOSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001268251595 901672830 /nfs/dbraw/zinc/67/28/30/901672830.db2.gz ODELLNHHBHJYMD-UHFFFAOYSA-N 2 0 269.433 1.541 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001268288111 901755372 /nfs/dbraw/zinc/75/53/72/901755372.db2.gz BFVSFERSZWZURO-HUUCEWRRSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001481847956 902213551 /nfs/dbraw/zinc/21/35/51/902213551.db2.gz JSJPDSZQARDDKN-UONOGXRCSA-N 2 0 267.417 1.080 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268640656 902872474 /nfs/dbraw/zinc/87/24/74/902872474.db2.gz WVYJQLCTOUJSCN-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001268742418 903063357 /nfs/dbraw/zinc/06/33/57/903063357.db2.gz HPTDKMVKAMYUKG-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001270021840 904280069 /nfs/dbraw/zinc/28/00/69/904280069.db2.gz JHCUILPQNJKSRR-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001270605165 904783741 /nfs/dbraw/zinc/78/37/41/904783741.db2.gz VZLMAIPATCFIOZ-HNNXBMFYSA-N 2 0 279.428 1.228 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482303385 904822158 /nfs/dbraw/zinc/82/21/58/904822158.db2.gz BKPSVFBJZCTPEA-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001482499404 906676561 /nfs/dbraw/zinc/67/65/61/906676561.db2.gz QAXRBZVGTQGLSG-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001271729436 906681970 /nfs/dbraw/zinc/68/19/70/906681970.db2.gz XMMNKRKKXPYKPV-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567914183 1169062406 /nfs/dbraw/zinc/06/24/06/1169062406.db2.gz ARFLMWKDCMKRHT-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001482587055 907436135 /nfs/dbraw/zinc/43/61/35/907436135.db2.gz XBTJJCYICJMZLU-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483260004 910749476 /nfs/dbraw/zinc/74/94/76/910749476.db2.gz WXQWTDQXMOPFHA-AVGNSLFASA-N 2 0 287.835 1.564 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001483443235 911125633 /nfs/dbraw/zinc/12/56/33/911125633.db2.gz KDTQNYPXWWOXRY-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001568131318 1169143087 /nfs/dbraw/zinc/14/30/87/1169143087.db2.gz AFUJDTWAKIBOTA-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483945820 915220097 /nfs/dbraw/zinc/22/00/97/915220097.db2.gz IOJPZBNJYCUYRZ-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001483952033 915234528 /nfs/dbraw/zinc/23/45/28/915234528.db2.gz PEWLFJDHQRYPOE-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001485525849 917063264 /nfs/dbraw/zinc/06/32/64/917063264.db2.gz INEVFZIBHLQMCB-CQSZACIVSA-N 2 0 293.455 1.424 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)CCn2ccnc2)CC1 ZINC001485760747 917244356 /nfs/dbraw/zinc/24/43/56/917244356.db2.gz CXFDAAQAUQMBGX-UHFFFAOYSA-N 2 0 290.411 1.772 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001272837869 919893432 /nfs/dbraw/zinc/89/34/32/919893432.db2.gz MXCQKLXFCVEDNM-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001493240194 936621282 /nfs/dbraw/zinc/62/12/82/936621282.db2.gz PDIVGLAYHMJAHH-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001486129741 920733648 /nfs/dbraw/zinc/73/36/48/920733648.db2.gz OEQAYFDCSQHZKX-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001273646098 923249333 /nfs/dbraw/zinc/24/93/33/923249333.db2.gz SDFDZAAGLLHGNA-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001489052289 926790496 /nfs/dbraw/zinc/79/04/96/926790496.db2.gz GQRWGOAOMSGYSN-OAGGEKHMSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001489239534 926850944 /nfs/dbraw/zinc/85/09/44/926850944.db2.gz GCBXGAAOKXGGNW-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001489333068 926874887 /nfs/dbraw/zinc/87/48/87/926874887.db2.gz IPNZTGXAARVVNZ-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001279185221 931218040 /nfs/dbraw/zinc/21/80/40/931218040.db2.gz ZGWUGXBFOZFDCA-LSDHHAIUSA-N 2 0 291.439 1.342 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001274411994 931497872 /nfs/dbraw/zinc/49/78/72/931497872.db2.gz BYQWGOIXDFOORF-WAVCKPEOSA-N 2 0 291.439 1.536 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001274841605 931592795 /nfs/dbraw/zinc/59/27/95/931592795.db2.gz WTCWETLZMQBZBA-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001568768714 1169468438 /nfs/dbraw/zinc/46/84/38/1169468438.db2.gz CZPMWDCQGIGGNA-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001280369810 942431843 /nfs/dbraw/zinc/43/18/43/942431843.db2.gz JJPFRLGADIRHNC-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001280769678 942484224 /nfs/dbraw/zinc/48/42/24/942484224.db2.gz JJIKQBNRGDMZOB-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001277441982 942579244 /nfs/dbraw/zinc/57/92/44/942579244.db2.gz WIKCTIDQQHDDQR-OAHLLOKOSA-N 2 0 279.428 1.273 10 30 CDEERP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001282484357 942721589 /nfs/dbraw/zinc/72/15/89/942721589.db2.gz CHHBOCHGIBZYEJ-ZIAGYGMSSA-N 2 0 267.417 1.032 10 30 CDEERP C#CCC[NH+]1CC([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001282738378 942746818 /nfs/dbraw/zinc/74/68/18/942746818.db2.gz FGGZDHNHUFSMHG-CQSZACIVSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001282928931 942780706 /nfs/dbraw/zinc/78/07/06/942780706.db2.gz MVKYRZNIDDODBW-GJZGRUSLSA-N 2 0 297.443 1.108 10 30 CDEERP C=CC[NH2+][C@H](CCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001283450016 942900429 /nfs/dbraw/zinc/90/04/29/942900429.db2.gz SYCGOUZXQCYGSW-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001283611511 942947262 /nfs/dbraw/zinc/94/72/62/942947262.db2.gz DIZKKUSFQILPCC-AWEZNQCLSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001316634556 943247462 /nfs/dbraw/zinc/24/74/62/943247462.db2.gz HNUYNQNGQMWOKL-SHTZXODSSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001277663375 943269433 /nfs/dbraw/zinc/26/94/33/943269433.db2.gz WKRQOXRXKUPUOC-CVEARBPZSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001263878494 944017830 /nfs/dbraw/zinc/01/78/30/944017830.db2.gz ZWZWRVLPXBJXSO-KKUMJFAQSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001264169421 944090238 /nfs/dbraw/zinc/09/02/38/944090238.db2.gz HNGKKVSHSWNKHL-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001264371080 944114537 /nfs/dbraw/zinc/11/45/37/944114537.db2.gz PCRNPOHEYLVEAS-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)c1cccc2nccn21 ZINC001265011588 944200510 /nfs/dbraw/zinc/20/05/10/944200510.db2.gz UCBIJJXTITXRPT-UHFFFAOYSA-N 2 0 284.363 1.409 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001265395334 944372603 /nfs/dbraw/zinc/37/26/03/944372603.db2.gz UOWVJTXSMGETCX-MRXNPFEDSA-N 2 0 293.455 1.522 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001265798773 944512749 /nfs/dbraw/zinc/51/27/49/944512749.db2.gz KKVBTSFXEKULHG-ZDUSSCGKSA-N 2 0 299.378 1.551 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001281767758 944520957 /nfs/dbraw/zinc/52/09/57/944520957.db2.gz AEJZBEWXZHKQBQ-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001265979677 944612345 /nfs/dbraw/zinc/61/23/45/944612345.db2.gz QRSIPDVWGIBQOT-HRCADAONSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266107426 944686891 /nfs/dbraw/zinc/68/68/91/944686891.db2.gz COMGVXJXXUEFTJ-LSDHHAIUSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001278420980 947846685 /nfs/dbraw/zinc/84/66/85/947846685.db2.gz QUWXINNKDUMZHU-AWEZNQCLSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001278434519 948000747 /nfs/dbraw/zinc/00/07/47/948000747.db2.gz QYXFAGMWNXVYCI-INIZCTEOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)C1CC1 ZINC001480053559 971554824 /nfs/dbraw/zinc/55/48/24/971554824.db2.gz NPCGRIDAEPMCSF-SMDDNHRTSA-N 2 0 276.384 1.259 10 30 CDEERP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001480102438 971576901 /nfs/dbraw/zinc/57/69/01/971576901.db2.gz GJLWPXLHNRWLEC-IYBDPMFKSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480173199 971612840 /nfs/dbraw/zinc/61/28/40/971612840.db2.gz BFWQNVRXHIBELB-BZUAXINKSA-N 2 0 293.455 1.920 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001480763879 971870199 /nfs/dbraw/zinc/87/01/99/971870199.db2.gz NIUUZUQKHMUJDC-CABCVRRESA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001569136614 1169682341 /nfs/dbraw/zinc/68/23/41/1169682341.db2.gz VWXGUUHFWFXYSR-UONOGXRCSA-N 2 0 269.433 1.585 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480817133 971892541 /nfs/dbraw/zinc/89/25/41/971892541.db2.gz AWPASOJWIANODR-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001325525328 953946857 /nfs/dbraw/zinc/94/68/57/953946857.db2.gz IKTJZPLQKNZQRE-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[N@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001493244918 971994012 /nfs/dbraw/zinc/99/40/12/971994012.db2.gz UPPLZESCHGZGGU-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001492044283 955592925 /nfs/dbraw/zinc/59/29/25/955592925.db2.gz TZMCHJYGXDHLST-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001329147969 955717534 /nfs/dbraw/zinc/71/75/34/955717534.db2.gz PCMJWDFAQSKTQY-UONOGXRCSA-N 2 0 287.407 1.478 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC(C)C)CC1 ZINC001329625466 956031982 /nfs/dbraw/zinc/03/19/82/956031982.db2.gz VZMQXBFTVHWYAO-OAHLLOKOSA-N 2 0 293.455 1.424 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001329625444 956032347 /nfs/dbraw/zinc/03/23/47/956032347.db2.gz VRDGZKLGGSLDFA-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317336339 956186178 /nfs/dbraw/zinc/18/61/78/956186178.db2.gz IBAKFKCLQICJRA-OAHLLOKOSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001422662127 956239274 /nfs/dbraw/zinc/23/92/74/956239274.db2.gz QAYJUKVGEZEAJV-STQMWFEESA-N 2 0 287.835 1.708 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001366218859 956644106 /nfs/dbraw/zinc/64/41/06/956644106.db2.gz ONVDPAVHEIHKJJ-ZDUSSCGKSA-N 2 0 287.835 1.661 10 30 CDEERP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001316758139 956876227 /nfs/dbraw/zinc/87/62/27/956876227.db2.gz PGTZSXMAQIMOBT-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001331212607 956890118 /nfs/dbraw/zinc/89/01/18/956890118.db2.gz WTDQXNRUBRIRAV-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001331225813 956898499 /nfs/dbraw/zinc/89/84/99/956898499.db2.gz LNYCXFVUASWCKL-CQSZACIVSA-N 2 0 267.417 1.080 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001316980724 957176879 /nfs/dbraw/zinc/17/68/79/957176879.db2.gz CTYUPABLDPKUJZ-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001316986171 957184621 /nfs/dbraw/zinc/18/46/21/957184621.db2.gz ORSUUFNPSRKLBS-JYJNAYRXSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317113766 957280851 /nfs/dbraw/zinc/28/08/51/957280851.db2.gz PIZQKTCDDMWCIE-XHSDSOJGSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317306369 957415302 /nfs/dbraw/zinc/41/53/02/957415302.db2.gz WTKXVVFGUYSILC-AWEZNQCLSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317449881 957483243 /nfs/dbraw/zinc/48/32/43/957483243.db2.gz ZQCADKBETJFHNY-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317479866 957501796 /nfs/dbraw/zinc/50/17/96/957501796.db2.gz MOBMJRMLHKQCPS-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317479867 957502711 /nfs/dbraw/zinc/50/27/11/957502711.db2.gz MOBMJRMLHKQCPS-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317491582 957509493 /nfs/dbraw/zinc/50/94/93/957509493.db2.gz BLWCSVUCKKDPJG-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317789520 957667314 /nfs/dbraw/zinc/66/73/14/957667314.db2.gz ORAVBOGJLXCTPJ-CABCVRRESA-N 2 0 281.444 1.587 10 30 CDEERP C#CCC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001317881930 957709056 /nfs/dbraw/zinc/70/90/56/957709056.db2.gz MBVGEBSWRYXTIW-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CC(=C)C)CC1 ZINC001320089437 958930592 /nfs/dbraw/zinc/93/05/92/958930592.db2.gz AOIMLZPBTJSWDT-UHFFFAOYSA-N 2 0 291.439 1.298 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320548170 959231958 /nfs/dbraw/zinc/23/19/58/959231958.db2.gz JPANIHGVKFFCJP-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001495194687 972435227 /nfs/dbraw/zinc/43/52/27/972435227.db2.gz JDGWILKZVFWOSJ-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001321097535 959589987 /nfs/dbraw/zinc/58/99/87/959589987.db2.gz OZKGLXJPSMPZBU-IYKSTZQJSA-N 2 0 277.412 1.146 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001321703398 959912531 /nfs/dbraw/zinc/91/25/31/959912531.db2.gz SNNTZVODGDZDRR-CQSZACIVSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1C[NH3+] ZINC001343232842 963934070 /nfs/dbraw/zinc/93/40/70/963934070.db2.gz GCMTXCWWUHOURU-JTQLQIEISA-N 2 0 253.733 1.554 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001569543863 1169918821 /nfs/dbraw/zinc/91/88/21/1169918821.db2.gz BMBNUHZJVCGVLH-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001495685892 972596084 /nfs/dbraw/zinc/59/60/84/972596084.db2.gz XROKBQWUKAANQB-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001496239594 972851747 /nfs/dbraw/zinc/85/17/47/972851747.db2.gz UBVLDTGZKXUMHG-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001497446883 973349871 /nfs/dbraw/zinc/34/98/71/973349871.db2.gz BVOYQBZFZPBNEI-UHFFFAOYSA-N 2 0 287.835 1.519 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497879133 973560807 /nfs/dbraw/zinc/56/08/07/973560807.db2.gz ZLJNCCSFWKMGPQ-GFCCVEGCSA-N 2 0 287.835 1.708 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001497911033 973574045 /nfs/dbraw/zinc/57/40/45/973574045.db2.gz RMSNPFPMQBUDMB-CZUORRHYSA-N 2 0 297.418 1.317 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001498325539 973829348 /nfs/dbraw/zinc/82/93/48/973829348.db2.gz QIZDZSKBFPBEDW-AWEZNQCLSA-N 2 0 293.455 1.709 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001499244216 974222317 /nfs/dbraw/zinc/22/23/17/974222317.db2.gz YBVKDFRSWBRNSY-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001502793717 974784939 /nfs/dbraw/zinc/78/49/39/974784939.db2.gz SMXJHINRGYDBKP-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001505445983 974881865 /nfs/dbraw/zinc/88/18/65/974881865.db2.gz BDSIKGCPSYMUPP-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001506560309 975178822 /nfs/dbraw/zinc/17/88/22/975178822.db2.gz QNTZJRSLIRJIPD-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH+](C)CCN(C(=O)CC[N@@H+](C)CC)C(C)C ZINC001507855850 975550881 /nfs/dbraw/zinc/55/08/81/975550881.db2.gz UJDVBGLPQXUABY-UHFFFAOYSA-N 2 0 267.417 1.130 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001388748346 975578451 /nfs/dbraw/zinc/57/84/51/975578451.db2.gz YTNKESCNKWVEQC-JOCQHMNTSA-N 2 0 285.819 1.319 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001405645515 975803107 /nfs/dbraw/zinc/80/31/07/975803107.db2.gz NVFIEQYSULAXDB-FZMZJTMJSA-N 2 0 299.846 1.423 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001675025410 1174063819 /nfs/dbraw/zinc/06/38/19/1174063819.db2.gz SHNHZHMSGAONMX-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001675363953 1174106402 /nfs/dbraw/zinc/10/64/02/1174106402.db2.gz QGRDOYJMYKRXHM-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001676783275 1174271201 /nfs/dbraw/zinc/27/12/01/1174271201.db2.gz KPDPBJADLOUXLI-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001677342142 1174352365 /nfs/dbraw/zinc/35/23/65/1174352365.db2.gz POPVTLLQSLTVDY-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001570048803 1170064880 /nfs/dbraw/zinc/06/48/80/1170064880.db2.gz WSZUWXLHFMKBNK-SHTZXODSSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001570687976 1170231001 /nfs/dbraw/zinc/23/10/01/1170231001.db2.gz PUQGATSOKPNDEJ-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCCCC1 ZINC001570797095 1170281412 /nfs/dbraw/zinc/28/14/12/1170281412.db2.gz HLRIQXAWSVIOPX-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001571492349 1170453841 /nfs/dbraw/zinc/45/38/41/1170453841.db2.gz CKVCZTPGHTUDCS-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001571523140 1170461732 /nfs/dbraw/zinc/46/17/32/1170461732.db2.gz ORTVQSWHYQTGNG-CABCVRRESA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594439359 342906511 /nfs/dbraw/zinc/90/65/11/342906511.db2.gz UVSQIFHQCFHBQT-CQSZACIVSA-N 2 0 278.400 1.164 10 30 CDEERP CN(C(=O)[C@H]([NH3+])CCCCC#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000594439041 342906824 /nfs/dbraw/zinc/90/68/24/342906824.db2.gz NDIRIBPQOGHIOS-QNMSZWNNSA-N 2 0 278.400 1.139 10 30 CDEERP CC(C)C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+](C)C ZINC000594441065 342907540 /nfs/dbraw/zinc/90/75/40/342907540.db2.gz MDEUNQLHFRYUHH-KGLIPLIRSA-N 2 0 282.432 1.490 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001661015813 1172321783 /nfs/dbraw/zinc/32/17/83/1172321783.db2.gz PDNNHIYEVSSVAB-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCC[NH+]1CCC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001661748041 1172439395 /nfs/dbraw/zinc/43/93/95/1172439395.db2.gz LERIXYLPKUWBAE-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001663249863 1172661072 /nfs/dbraw/zinc/66/10/72/1172661072.db2.gz WABBBSPRAPQXIH-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])C(C)C ZINC000417062912 391341849 /nfs/dbraw/zinc/34/18/49/391341849.db2.gz MTYZXCAPZMZITH-RRFJBIMHSA-N 2 0 296.459 1.720 10 30 CDEERP C#CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001663723642 1172752973 /nfs/dbraw/zinc/75/29/73/1172752973.db2.gz ZXFWXZQXBKXTNK-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[C@]1(C(=O)NC2CC[NH+](C3CC3)CC2)CCC[NH2+]1 ZINC000662671738 413286309 /nfs/dbraw/zinc/28/63/09/413286309.db2.gz RHDFGNLMMSKASR-MRXNPFEDSA-N 2 0 277.412 1.428 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001664819122 1172916244 /nfs/dbraw/zinc/91/62/44/1172916244.db2.gz ZPMARSSHYSZURB-LSDHHAIUSA-N 2 0 281.444 1.683 10 30 CDEERP C#CCN1CCC([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000040623268 174355908 /nfs/dbraw/zinc/35/59/08/174355908.db2.gz JTJPRQBDCPNVQE-OAHLLOKOSA-N 2 0 263.429 1.404 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001666759929 1173183760 /nfs/dbraw/zinc/18/37/60/1173183760.db2.gz PAWHOMNQWUUGEA-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001667111740 1173235989 /nfs/dbraw/zinc/23/59/89/1173235989.db2.gz GHDOYMNATTZKIQ-CABCVRRESA-N 2 0 281.444 1.635 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001673982400 1173903772 /nfs/dbraw/zinc/90/37/72/1173903772.db2.gz WJLAPSBJIBMBKR-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP CC(C)CNC(=[NH2+])NCc1cccnc1-n1ccnc1 ZINC000170912366 329072326 /nfs/dbraw/zinc/07/23/26/329072326.db2.gz QOGRQOZOSDSLLV-UHFFFAOYSA-N 2 0 272.356 1.328 10 30 CDEERP C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000262427179 330009787 /nfs/dbraw/zinc/00/97/87/330009787.db2.gz CZCACYIHYOONCJ-HZSPNIEDSA-N 2 0 282.432 1.285 10 30 CDEERP C[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262502078 330017986 /nfs/dbraw/zinc/01/79/86/330017986.db2.gz KSQOMBFSKYASJQ-JSGCOSHPSA-N 2 0 288.395 1.509 10 30 CDEERP C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262506402 330018586 /nfs/dbraw/zinc/01/85/86/330018586.db2.gz ZZBFYUOFSNSQLJ-MELADBBJSA-N 2 0 264.417 1.530 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C)CCC1 ZINC000262722080 330028824 /nfs/dbraw/zinc/02/88/24/330028824.db2.gz WHNZZVVBUULKOF-GFCCVEGCSA-N 2 0 252.406 1.565 10 30 CDEERP CNC(=[NH2+])N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000270131100 330073994 /nfs/dbraw/zinc/07/39/94/330073994.db2.gz PAZWSEFJPGEPJO-JSGCOSHPSA-N 2 0 260.385 1.574 10 30 CDEERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528399510 330255773 /nfs/dbraw/zinc/25/57/73/330255773.db2.gz YZKQZBXGFNYYKO-CVEARBPZSA-N 2 0 291.439 1.705 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001691476290 1159334132 /nfs/dbraw/zinc/33/41/32/1159334132.db2.gz GIJAWIYQFLZYFO-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001267439583 1159376504 /nfs/dbraw/zinc/37/65/04/1159376504.db2.gz NQGMKLUIZIOJIZ-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001700904998 1177189768 /nfs/dbraw/zinc/18/97/68/1177189768.db2.gz CLHYTKOJQHFBAE-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CCCC1 ZINC001732395075 1160568793 /nfs/dbraw/zinc/56/87/93/1160568793.db2.gz WNQHFGGGCXGKBL-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[C@]1(C(=O)NCc2ccccc2C[NH2+]C)CCC[NH2+]1 ZINC000662830832 482431723 /nfs/dbraw/zinc/43/17/23/482431723.db2.gz VRPDQBRNEBLVQZ-QGZVFWFLSA-N 2 0 287.407 1.721 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001483257351 1160883047 /nfs/dbraw/zinc/88/30/47/1160883047.db2.gz AHLGZVSFVOJBLZ-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001716769665 1180407027 /nfs/dbraw/zinc/40/70/27/1180407027.db2.gz DNORSLSSEOEJKG-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP CC[N@H+](CCOC)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609725 521135123 /nfs/dbraw/zinc/13/51/23/521135123.db2.gz UKAOLWFBQKJTQK-UHFFFAOYSA-N 2 0 264.344 1.604 10 30 CDEERP C=CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001681663753 1174590526 /nfs/dbraw/zinc/59/05/26/1174590526.db2.gz RUINHIRAYJXTBS-ZIAGYGMSSA-N 2 0 265.401 1.047 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001688896647 1175058753 /nfs/dbraw/zinc/05/87/53/1175058753.db2.gz HSTKAUMVAJGLBP-MRXNPFEDSA-N 2 0 291.439 1.418 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001689908920 1175301324 /nfs/dbraw/zinc/30/13/24/1175301324.db2.gz IWCIWOCEHGMLAZ-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001689946996 1175319274 /nfs/dbraw/zinc/31/92/74/1175319274.db2.gz CFVCRDCHLQJQND-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000939316000 612975675 /nfs/dbraw/zinc/97/56/75/612975675.db2.gz PMQKGSMLZQVDEL-PBHICJAKSA-N 2 0 299.418 1.432 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000939453685 613874294 /nfs/dbraw/zinc/87/42/94/613874294.db2.gz LXPCYJUFMNDQHV-ZBFHGGJFSA-N 2 0 293.455 1.729 10 30 CDEERP COc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)ccc1C#N ZINC000925669016 617625526 /nfs/dbraw/zinc/62/55/26/617625526.db2.gz NPUKJFKSWMTJAV-HUUCEWRRSA-N 2 0 271.364 1.926 10 30 CDEERP C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000925769882 617628760 /nfs/dbraw/zinc/62/87/60/617628760.db2.gz GQSCAWBWIJLXRG-GXTWGEPZSA-N 2 0 263.385 1.826 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925704718 617777685 /nfs/dbraw/zinc/77/76/85/617777685.db2.gz JOQZZFDUERKEDU-AIEDFZFUSA-N 2 0 264.413 1.944 10 30 CDEERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000925837330 617867662 /nfs/dbraw/zinc/86/76/62/617867662.db2.gz GCEONFZDBDZGFJ-OAHLLOKOSA-N 2 0 261.369 1.710 10 30 CDEERP C#CCN(C)CCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000926491678 617899417 /nfs/dbraw/zinc/89/94/17/617899417.db2.gz YWWZSAPGSZPLKW-JKSUJKDBSA-N 2 0 264.413 1.736 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926611395 618170586 /nfs/dbraw/zinc/17/05/86/618170586.db2.gz LJDUSPUZZVWRCL-MKXAEBJUSA-N 2 0 294.439 1.809 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000900198809 622813780 /nfs/dbraw/zinc/81/37/80/622813780.db2.gz JUDHARIZVDOJFY-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000900627253 623312395 /nfs/dbraw/zinc/31/23/95/623312395.db2.gz YLVTWMKSLBXPDZ-OAHLLOKOSA-N 2 0 279.428 1.581 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+](CC)CCC ZINC000908305904 628135565 /nfs/dbraw/zinc/13/55/65/628135565.db2.gz JJSSXOHXKZJWNA-AWEZNQCLSA-N 2 0 269.433 1.731 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000876876756 630579039 /nfs/dbraw/zinc/57/90/39/630579039.db2.gz ULYDDQOTHZWIJU-VXGBXAGGSA-N 2 0 273.808 1.399 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000913815905 630794257 /nfs/dbraw/zinc/79/42/57/630794257.db2.gz UIESULRFFYKNDU-UONOGXRCSA-N 2 0 265.401 1.189 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001691769566 1158448719 /nfs/dbraw/zinc/44/87/19/1158448719.db2.gz MPSKMGISHUWWNQ-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001691994636 1158847689 /nfs/dbraw/zinc/84/76/89/1158847689.db2.gz IRRBBNPKFLCYTI-JKSUJKDBSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001690340788 1175443170 /nfs/dbraw/zinc/44/31/70/1175443170.db2.gz DBZMVOKWVQHTIN-QLFBSQMISA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001691020454 1158536521 /nfs/dbraw/zinc/53/65/21/1158536521.db2.gz UASWFXSKXZKVKD-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001271326451 1160321697 /nfs/dbraw/zinc/32/16/97/1160321697.db2.gz OWRAMGATBYQDRG-JKSUJKDBSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001486380189 1161453886 /nfs/dbraw/zinc/45/38/86/1161453886.db2.gz YVGPZCYZUDOEDE-OAHLLOKOSA-N 2 0 279.428 1.130 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001646839448 1168183217 /nfs/dbraw/zinc/18/32/17/1168183217.db2.gz UOAHBNNBPSQXDB-VXGBXAGGSA-N 2 0 275.824 1.693 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001566809178 1168430330 /nfs/dbraw/zinc/43/03/30/1168430330.db2.gz KLULXPBMYCOQGC-KLHDSHLOSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001566903752 1168461576 /nfs/dbraw/zinc/46/15/76/1168461576.db2.gz UKDWNMUHTSHJIH-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567940877 1169081907 /nfs/dbraw/zinc/08/19/07/1169081907.db2.gz OARZITUTBREVPH-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001568433593 1169284525 /nfs/dbraw/zinc/28/45/25/1169284525.db2.gz DFSRAUHHNFWTDA-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001569682258 1169966084 /nfs/dbraw/zinc/96/60/84/1169966084.db2.gz WBYRECPPFNZYOR-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001569994194 1170055161 /nfs/dbraw/zinc/05/51/61/1170055161.db2.gz GCWFDFBCPIMYCZ-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001570608081 1170209459 /nfs/dbraw/zinc/20/94/59/1170209459.db2.gz MVWBULZXSSYRDB-ZIAGYGMSSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)CC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001661182280 1172347981 /nfs/dbraw/zinc/34/79/81/1172347981.db2.gz AJXRBOLDDRQJER-OAHLLOKOSA-N 2 0 291.439 1.533 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001661926165 1172468187 /nfs/dbraw/zinc/46/81/87/1172468187.db2.gz SNCDZOWAQXKBGY-LSDHHAIUSA-N 2 0 297.418 1.270 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001662722501 1172586344 /nfs/dbraw/zinc/58/63/44/1172586344.db2.gz MZJXPVGYZHGGLV-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001662791080 1172595292 /nfs/dbraw/zinc/59/52/92/1172595292.db2.gz NNECISDLLZAYOB-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001662829346 1172601713 /nfs/dbraw/zinc/60/17/13/1172601713.db2.gz YJSFLVFTLIJBBA-GJZGRUSLSA-N 2 0 277.412 1.027 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001663014559 1172628672 /nfs/dbraw/zinc/62/86/72/1172628672.db2.gz YVXRXDCMGORFCK-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001663067643 1172634787 /nfs/dbraw/zinc/63/47/87/1172634787.db2.gz WXWDNYUBZNHZQI-BZUAXINKSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001668904723 1173477111 /nfs/dbraw/zinc/47/71/11/1173477111.db2.gz GCDLMUYPJNSLNH-IYKSTZQJSA-N 2 0 279.428 1.555 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001668898706 1173477948 /nfs/dbraw/zinc/47/79/48/1173477948.db2.gz CENJQFMZDHCJFW-WAYWQWQTSA-N 2 0 296.374 1.542 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001690389207 1175457338 /nfs/dbraw/zinc/45/73/38/1175457338.db2.gz ZMRXYHXHQAIMBC-JKSUJKDBSA-N 2 0 293.455 1.424 10 30 CDEERP CC#CC[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001690456501 1175475518 /nfs/dbraw/zinc/47/55/18/1175475518.db2.gz BMZZHJBGHLKIOS-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001690587780 1175514222 /nfs/dbraw/zinc/51/42/22/1175514222.db2.gz XYQMIPBSHHDNJR-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001690735089 1175559420 /nfs/dbraw/zinc/55/94/20/1175559420.db2.gz RMMCJDNKYVKRNL-AWEZNQCLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001692249560 1175714667 /nfs/dbraw/zinc/71/46/67/1175714667.db2.gz VRZGIHLUUHFFFY-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001698606489 1175869963 /nfs/dbraw/zinc/86/99/63/1175869963.db2.gz ZAUAELSQYWCEKS-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001698861856 1175969323 /nfs/dbraw/zinc/96/93/23/1175969323.db2.gz SUJUAJQEMIJSAC-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001698927536 1175987569 /nfs/dbraw/zinc/98/75/69/1175987569.db2.gz FRYGBZOODVJVHQ-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]21 ZINC001699013894 1176040778 /nfs/dbraw/zinc/04/07/78/1176040778.db2.gz AYANYOYMRGCRFR-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@H]21 ZINC001699013896 1176041632 /nfs/dbraw/zinc/04/16/32/1176041632.db2.gz AYANYOYMRGCRFR-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699345816 1176273163 /nfs/dbraw/zinc/27/31/63/1176273163.db2.gz QNZVYUSFHYXXAZ-MOEXGYKKSA-N 2 0 291.439 1.392 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001699663330 1176557398 /nfs/dbraw/zinc/55/73/98/1176557398.db2.gz MFXSOXOLNBZNOU-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CCC1 ZINC001700132232 1176763901 /nfs/dbraw/zinc/76/39/01/1176763901.db2.gz VCLNYSKSSOGVDQ-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001700157218 1176775913 /nfs/dbraw/zinc/77/59/13/1176775913.db2.gz QXXFCHPUBHGNNG-HUUCEWRRSA-N 2 0 291.439 1.818 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001700417275 1176916773 /nfs/dbraw/zinc/91/67/73/1176916773.db2.gz GBDIKTGJNQAUPH-OLZOCXBDSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001700728672 1177097958 /nfs/dbraw/zinc/09/79/58/1177097958.db2.gz XGNNHEFJEFGTQD-HNNXBMFYSA-N 2 0 291.439 1.627 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001700820717 1177149135 /nfs/dbraw/zinc/14/91/35/1177149135.db2.gz FNQGFANIFYWENQ-ZIAGYGMSSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1CC ZINC001707197348 1177966560 /nfs/dbraw/zinc/96/65/60/1177966560.db2.gz ZMJDERSUALSPAB-LSDHHAIUSA-N 2 0 279.428 1.626 10 30 CDEERP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001707375388 1177999652 /nfs/dbraw/zinc/99/96/52/1177999652.db2.gz NBBMIZHEZPMJBW-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001707435164 1178044755 /nfs/dbraw/zinc/04/47/55/1178044755.db2.gz FRHRCKHTMDHIMV-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001707435169 1178044774 /nfs/dbraw/zinc/04/47/74/1178044774.db2.gz FRHRCKHTMDHIMV-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713216150 1178438363 /nfs/dbraw/zinc/43/83/63/1178438363.db2.gz ZMRXYHXHQAIMBC-HOTGVXAUSA-N 2 0 293.455 1.424 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001713263611 1178458198 /nfs/dbraw/zinc/45/81/98/1178458198.db2.gz WAWKNFSHXMNQHV-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713391615 1178535588 /nfs/dbraw/zinc/53/55/88/1178535588.db2.gz HKBGDTQOQUSHNM-BZUAXINKSA-N 2 0 291.439 1.273 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001713408344 1178542902 /nfs/dbraw/zinc/54/29/02/1178542902.db2.gz MLVIUEVQBDOMLI-QLFBSQMISA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713925840 1178851083 /nfs/dbraw/zinc/85/10/83/1178851083.db2.gz OLIDYCCACBTABH-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001714022167 1178931559 /nfs/dbraw/zinc/93/15/59/1178931559.db2.gz NCEBESITAIBSDI-CALCHBBNSA-N 2 0 299.418 1.622 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC(=C)C)CC1 ZINC001714310960 1179079877 /nfs/dbraw/zinc/07/98/77/1179079877.db2.gz WKVBTSLTZJBVRA-CQSZACIVSA-N 2 0 277.412 1.002 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001714351109 1179100447 /nfs/dbraw/zinc/10/04/47/1179100447.db2.gz IYEVHVDKTCIEOJ-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001714565160 1179220754 /nfs/dbraw/zinc/22/07/54/1179220754.db2.gz VILFJKDXHCFYLD-ZDUSSCGKSA-N 2 0 278.400 1.603 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001714677430 1179318081 /nfs/dbraw/zinc/31/80/81/1179318081.db2.gz TUQLHVJXOLUCEF-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)CCC[NH+](C)C)C1 ZINC001714873230 1179432592 /nfs/dbraw/zinc/43/25/92/1179432592.db2.gz VVEPJJSBRLDPPF-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714945307 1179469571 /nfs/dbraw/zinc/46/95/71/1179469571.db2.gz OASVYLLHLXEJAO-CABCVRRESA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715081574 1179544397 /nfs/dbraw/zinc/54/43/97/1179544397.db2.gz OBMVLCKIJMFCAC-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001715308706 1179618873 /nfs/dbraw/zinc/61/88/73/1179618873.db2.gz CZIIMMCCGFUYOZ-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001715334306 1179630606 /nfs/dbraw/zinc/63/06/06/1179630606.db2.gz CPKVSGLOLHTUKC-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001715346259 1179636197 /nfs/dbraw/zinc/63/61/97/1179636197.db2.gz NELMTMOBMXBWBP-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001715914243 1179909661 /nfs/dbraw/zinc/90/96/61/1179909661.db2.gz PKDBGNVUIXWFPU-SQRWCISFSA-N 2 0 293.455 1.945 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715952648 1179937378 /nfs/dbraw/zinc/93/73/78/1179937378.db2.gz FEKFLLXVXWPJRS-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001715990793 1179968286 /nfs/dbraw/zinc/96/82/86/1179968286.db2.gz CZVORRTXPSGTHR-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001716028626 1180002227 /nfs/dbraw/zinc/00/22/27/1180002227.db2.gz ZBIOMVVZXYXGKF-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001716339716 1180159933 /nfs/dbraw/zinc/15/99/33/1180159933.db2.gz KWSMXFQFDHANNU-IDTUSYRASA-N 2 0 293.455 1.945 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001716482952 1180244808 /nfs/dbraw/zinc/24/48/08/1180244808.db2.gz VKFYTACQJYQUIA-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001716653801 1180338295 /nfs/dbraw/zinc/33/82/95/1180338295.db2.gz OUVROGWHSUOGAK-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001716660071 1180345187 /nfs/dbraw/zinc/34/51/87/1180345187.db2.gz LKGNGXSAXDKJNX-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001716699050 1180377072 /nfs/dbraw/zinc/37/70/72/1180377072.db2.gz CPDZEHLOPSBKFW-ZIAGYGMSSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001716789773 1180415844 /nfs/dbraw/zinc/41/58/44/1180415844.db2.gz FOJXQMMJSOBLRJ-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001717088383 1180528448 /nfs/dbraw/zinc/52/84/48/1180528448.db2.gz UMFBQFZXGSEXCH-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001717202369 1180570315 /nfs/dbraw/zinc/57/03/15/1180570315.db2.gz RFGBSGGGUANVSH-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001717458864 1180680692 /nfs/dbraw/zinc/68/06/92/1180680692.db2.gz HXJNPVFNTCZCLS-OAHLLOKOSA-N 2 0 295.471 1.979 10 30 CDEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725384043 1181982691 /nfs/dbraw/zinc/98/26/91/1181982691.db2.gz DDBVFAUPPDTFKL-HOCLYGCPSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725470227 1182011335 /nfs/dbraw/zinc/01/13/35/1182011335.db2.gz LIGHMQBSBVTTMU-DZGCQCFKSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001725584945 1182062440 /nfs/dbraw/zinc/06/24/40/1182062440.db2.gz DLKHSXJWCGLSJW-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001725600511 1182068670 /nfs/dbraw/zinc/06/86/70/1182068670.db2.gz WRCVDCNSCCYNME-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001725618177 1182072968 /nfs/dbraw/zinc/07/29/68/1182072968.db2.gz IAIWSSVGEFESQX-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001731333023 1182326211 /nfs/dbraw/zinc/32/62/11/1182326211.db2.gz NZIHWIOAGHMTSX-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001731476378 1182407904 /nfs/dbraw/zinc/40/79/04/1182407904.db2.gz OEECZYNWKVDHTB-QLFBSQMISA-N 2 0 277.412 1.119 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001731492479 1182419041 /nfs/dbraw/zinc/41/90/41/1182419041.db2.gz BFWQNVRXHIBELB-OWCLPIDISA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001731557269 1182447188 /nfs/dbraw/zinc/44/71/88/1182447188.db2.gz FJRLFPOUIHJKDH-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001731669676 1182511050 /nfs/dbraw/zinc/51/10/50/1182511050.db2.gz UGWJBLXOPLVYJP-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001732073162 1182751287 /nfs/dbraw/zinc/75/12/87/1182751287.db2.gz MBLLSVANKKRFKK-HNNXBMFYSA-N 2 0 289.423 1.028 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001732428291 1182960899 /nfs/dbraw/zinc/96/08/99/1182960899.db2.gz LDEVWOSHXALHGK-CQSZACIVSA-N 2 0 293.455 1.709 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732433315 1182963726 /nfs/dbraw/zinc/96/37/26/1182963726.db2.gz LNZDRRKMPXHHNO-CQSZACIVSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CN(CC)CCO1 ZINC001732471166 1182981333 /nfs/dbraw/zinc/98/13/33/1182981333.db2.gz HMOKKGQOIGNRGJ-GJZGRUSLSA-N 2 0 297.443 1.014 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001733180976 1183320400 /nfs/dbraw/zinc/32/04/00/1183320400.db2.gz MSDSPZQGYIXLGE-BPUTZDHNSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001733244936 1183368077 /nfs/dbraw/zinc/36/80/77/1183368077.db2.gz CXUSEOIIZGJNEF-RRFJBIMHSA-N 2 0 293.455 1.920 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001733664406 1183493006 /nfs/dbraw/zinc/49/30/06/1183493006.db2.gz AEZFRDALAMLJLH-HNNXBMFYSA-N 2 0 293.455 1.426 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001733690141 1183498023 /nfs/dbraw/zinc/49/80/23/1183498023.db2.gz FVSBXLKIWZABGT-SHTZXODSSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001733774213 1183528910 /nfs/dbraw/zinc/52/89/10/1183528910.db2.gz KHYVFUXMGLJTRH-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001733778484 1183529910 /nfs/dbraw/zinc/52/99/10/1183529910.db2.gz MCUDJZPXDPKJKH-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001733812815 1183537591 /nfs/dbraw/zinc/53/75/91/1183537591.db2.gz KFDCBPTWSHWLMY-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001733857304 1183552566 /nfs/dbraw/zinc/55/25/66/1183552566.db2.gz IVHUSYSDURXMQU-GJZGRUSLSA-N 2 0 291.439 1.485 10 30 CDEERP C#CC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001733911878 1183565964 /nfs/dbraw/zinc/56/59/64/1183565964.db2.gz YWULEPDPAGEFNI-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001734112184 1183662497 /nfs/dbraw/zinc/66/24/97/1183662497.db2.gz CSMLDIFVQWAMDG-AWEZNQCLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001734118817 1183665286 /nfs/dbraw/zinc/66/52/86/1183665286.db2.gz APNPWSARJHBBFZ-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001734348643 1183742853 /nfs/dbraw/zinc/74/28/53/1183742853.db2.gz FFMSCURGAUPSMF-OAHLLOKOSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000928649324 736718430 /nfs/dbraw/zinc/71/84/30/736718430.db2.gz ZIIHWMWLWXRNLN-MRXNPFEDSA-N 2 0 289.423 1.217 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870883058 736832058 /nfs/dbraw/zinc/83/20/58/736832058.db2.gz KRYYANBVUOBBSB-UHFFFAOYSA-N 2 0 277.412 1.285 10 30 CDEERP C=CCN1CC[C@@H]([N@H+](C)CCCCCC[NH3+])C1=O ZINC000872155043 736901883 /nfs/dbraw/zinc/90/18/83/736901883.db2.gz ALQKTJJNRAHBLK-CYBMUJFWSA-N 2 0 253.390 1.224 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000876862637 737420849 /nfs/dbraw/zinc/42/08/49/737420849.db2.gz SCUNSTIUSZLYIO-LBPRGKRZSA-N 2 0 267.760 1.814 10 30 CDEERP CCC[NH+]1CCC(CNC(=[NH2+])N[C@@H](C)COC)CC1 ZINC000303877643 737455996 /nfs/dbraw/zinc/45/59/96/737455996.db2.gz IUWBNNZMMAUGND-LBPRGKRZSA-N 2 0 270.421 1.048 10 30 CDEERP CCCCCCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000104788702 737543713 /nfs/dbraw/zinc/54/37/13/737543713.db2.gz XYGDXEPLEYLGPQ-UHFFFAOYSA-N 2 0 255.406 1.320 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858467 737741601 /nfs/dbraw/zinc/74/16/01/737741601.db2.gz SSFUJTBSLYURJU-OLZOCXBDSA-N 2 0 266.385 1.616 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000852898528 737802576 /nfs/dbraw/zinc/80/25/76/737802576.db2.gz RXQZTEYLNZGVNU-HOTGVXAUSA-N 2 0 289.423 1.123 10 30 CDEERP CC[C@]1(C)CCN(C(NC[C@H]2CCC[N@@H+]2C)=[NH+]C)C1 ZINC000261722714 738738636 /nfs/dbraw/zinc/73/86/36/738738636.db2.gz IOENHKRYYCNCDR-UKRRQHHQSA-N 2 0 266.433 1.778 10 30 CDEERP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000925775557 736448008 /nfs/dbraw/zinc/44/80/08/736448008.db2.gz HFIPQIFGYPQFJF-WOPDTQHZSA-N 2 0 257.328 1.903 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001565878832 1168065114 /nfs/dbraw/zinc/06/51/14/1168065114.db2.gz ZKRVOTSRVZAZCD-BIQWYFBQSA-N 2 0 279.428 1.530 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001565879033 1168194345 /nfs/dbraw/zinc/19/43/45/1168194345.db2.gz XYZLQOYCPCUUMD-SHTZXODSSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[NH+]1CCC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001566613225 1168355512 /nfs/dbraw/zinc/35/55/12/1168355512.db2.gz RCOBNSDHMKFTFA-INIZCTEOSA-N 2 0 293.455 1.663 10 30 CDEERP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001566923573 1168469273 /nfs/dbraw/zinc/46/92/73/1168469273.db2.gz VLLDICPCSCOKSF-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001120811138 912553561 /nfs/dbraw/zinc/55/35/61/912553561.db2.gz XYGIJUKQNZSNTR-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001272563570 913448287 /nfs/dbraw/zinc/44/82/87/913448287.db2.gz CGMCTYHCDCMUSB-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266361732 894565903 /nfs/dbraw/zinc/56/59/03/894565903.db2.gz REVAWBXMQRSQDU-CQSZACIVSA-N 2 0 265.401 1.239 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001266423057 894796926 /nfs/dbraw/zinc/79/69/26/894796926.db2.gz ZZZVPJAVVJCGCU-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001567507952 1168820733 /nfs/dbraw/zinc/82/07/33/1168820733.db2.gz NEZBQGGMUVICMR-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001266984166 896497574 /nfs/dbraw/zinc/49/75/74/896497574.db2.gz RJQHFXQLRSQPSQ-CQSZACIVSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001267089781 896741461 /nfs/dbraw/zinc/74/14/61/896741461.db2.gz SWQGKVJBQNVABI-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001267145106 896912894 /nfs/dbraw/zinc/91/28/94/896912894.db2.gz NJMYTLZBPSUULX-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001267331224 897612543 /nfs/dbraw/zinc/61/25/43/897612543.db2.gz BJRALSUFRUBNAY-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001267374491 897756569 /nfs/dbraw/zinc/75/65/69/897756569.db2.gz CTZBJBBVSBQJJF-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001267429244 897894806 /nfs/dbraw/zinc/89/48/06/897894806.db2.gz UTALNMRPNCBOTL-INIZCTEOSA-N 2 0 297.418 1.270 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001493323388 898054950 /nfs/dbraw/zinc/05/49/50/898054950.db2.gz HQGXFZIREDHAQT-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001267603898 898776236 /nfs/dbraw/zinc/77/62/36/898776236.db2.gz GJUWZMQEWFMZGH-MRXNPFEDSA-N 2 0 291.439 1.132 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267633674 899100888 /nfs/dbraw/zinc/10/08/88/899100888.db2.gz JOMCJXZEZZASIX-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001267864386 899899120 /nfs/dbraw/zinc/89/91/20/899899120.db2.gz CLNSBIODIHMEHF-BBRMVZONSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)CCn2ccnc2)CC1 ZINC001267927936 899993669 /nfs/dbraw/zinc/99/36/69/899993669.db2.gz SXGWQYRXNPOQOO-SHTZXODSSA-N 2 0 290.411 1.866 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001481319942 900379685 /nfs/dbraw/zinc/37/96/85/900379685.db2.gz QXKFOMFQKHOGPR-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001481356824 900485798 /nfs/dbraw/zinc/48/57/98/900485798.db2.gz KFTNZJQVJMKZEU-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567742112 1168946290 /nfs/dbraw/zinc/94/62/90/1168946290.db2.gz LBTQQQOQAKFCDE-JKSUJKDBSA-N 2 0 291.439 1.132 10 30 CDEERP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001268197151 901553635 /nfs/dbraw/zinc/55/36/35/901553635.db2.gz WDYFGHXXLFJKJI-HUUCEWRRSA-N 2 0 291.439 1.485 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001268253063 901673856 /nfs/dbraw/zinc/67/38/56/901673856.db2.gz JXTQFCCIQBLQQS-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001481880477 902257336 /nfs/dbraw/zinc/25/73/36/902257336.db2.gz FLPOWJDAQWHYRM-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001498367343 902553085 /nfs/dbraw/zinc/55/30/85/902553085.db2.gz VQEGAAVFSNOFED-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001317547301 904386677 /nfs/dbraw/zinc/38/66/77/904386677.db2.gz LVYZWMVIELGQRE-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001270839367 905123328 /nfs/dbraw/zinc/12/33/28/905123328.db2.gz JYZBKXAXLWJYPF-MRXNPFEDSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001482434027 905394898 /nfs/dbraw/zinc/39/48/98/905394898.db2.gz NDMZEXIMIOIGQK-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC001271353160 906265649 /nfs/dbraw/zinc/26/56/49/906265649.db2.gz AOPQCMZHQWMZJG-MRXNPFEDSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271609500 906547258 /nfs/dbraw/zinc/54/72/58/906547258.db2.gz PKYBZXHQGYLKII-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001482500195 906678766 /nfs/dbraw/zinc/67/87/66/906678766.db2.gz STXNXGPUUBHXOU-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001482529614 906843415 /nfs/dbraw/zinc/84/34/15/906843415.db2.gz KIUUFISIBGGVFX-HZPDHXFCSA-N 2 0 293.455 1.613 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001482603644 907858490 /nfs/dbraw/zinc/85/84/90/907858490.db2.gz MPTZZZYCXKUKEB-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001482901128 908466383 /nfs/dbraw/zinc/46/63/83/908466383.db2.gz IPAMTZRWXFOFJV-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001567981577 1169107030 /nfs/dbraw/zinc/10/70/30/1169107030.db2.gz VJQJCALOKVXIIS-MRXNPFEDSA-N 2 0 287.407 1.479 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483152989 909863044 /nfs/dbraw/zinc/86/30/44/909863044.db2.gz GDAQQCPRSWRCDY-OAHLLOKOSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001483442102 911122553 /nfs/dbraw/zinc/12/25/53/911122553.db2.gz MPWCHRDYLVEYJX-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(Cl)CN1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001484072330 915396388 /nfs/dbraw/zinc/39/63/88/915396388.db2.gz YCYDTMOAFVKKJO-AWEZNQCLSA-N 2 0 287.835 1.660 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001485350755 916871630 /nfs/dbraw/zinc/87/16/30/916871630.db2.gz RBVGCLDVHOSIIA-ZIAGYGMSSA-N 2 0 267.417 1.177 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001485803543 917347213 /nfs/dbraw/zinc/34/72/13/917347213.db2.gz GWHHYAHGJCXFBC-KBPBESRZSA-N 2 0 299.846 1.660 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001272733750 917730383 /nfs/dbraw/zinc/73/03/83/917730383.db2.gz GKETYWCZNNCNFO-SHTZXODSSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001490933650 936833676 /nfs/dbraw/zinc/83/36/76/936833676.db2.gz ITGSTOAXSUINPV-FPCVCCKLSA-N 2 0 289.423 1.263 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001488859920 926723953 /nfs/dbraw/zinc/72/39/53/926723953.db2.gz MBLYJMOYLBSAKX-WKILWMFISA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001490777370 927343741 /nfs/dbraw/zinc/34/37/41/927343741.db2.gz PLXSZMYWOPQGCK-HNNXBMFYSA-N 2 0 279.428 1.130 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001274810273 931584137 /nfs/dbraw/zinc/58/41/37/931584137.db2.gz ISIWGDFSTAAQBT-CQSZACIVSA-N 2 0 297.443 1.015 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001274944229 931614120 /nfs/dbraw/zinc/61/41/20/931614120.db2.gz TVHPWRFYJMCCLA-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001275684928 931955282 /nfs/dbraw/zinc/95/52/82/931955282.db2.gz LNKAYAMTVISNKO-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001276262440 932696866 /nfs/dbraw/zinc/69/68/66/932696866.db2.gz WULKRPDCDGRJQD-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001276648130 940597689 /nfs/dbraw/zinc/59/76/89/940597689.db2.gz GZHRRQWGRPSUOL-CQSZACIVSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001276815648 941466426 /nfs/dbraw/zinc/46/64/26/941466426.db2.gz VNBOZDOQJKNYHB-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)C[NH+]1CCC(C)CC1 ZINC001568786203 1169475342 /nfs/dbraw/zinc/47/53/42/1169475342.db2.gz PWPBPESEMNOYSQ-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001280263884 942427019 /nfs/dbraw/zinc/42/70/19/942427019.db2.gz OBEHSAIRUMKUCA-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001281957013 942637370 /nfs/dbraw/zinc/63/73/70/942637370.db2.gz OINGBNCSNDLRNA-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001282397326 942705309 /nfs/dbraw/zinc/70/53/09/942705309.db2.gz DCLJZTTUGCEWSI-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001282402908 942707790 /nfs/dbraw/zinc/70/77/90/942707790.db2.gz RJIIQUUMYGGAOT-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001282444511 942715258 /nfs/dbraw/zinc/71/52/58/942715258.db2.gz SDTYWGVKGABLIQ-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001282461131 942717456 /nfs/dbraw/zinc/71/74/56/942717456.db2.gz KFIALMNJLAFDQM-OLZOCXBDSA-N 2 0 255.406 1.339 10 30 CDEERP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001282665537 942736190 /nfs/dbraw/zinc/73/61/90/942736190.db2.gz FVEXKEZJICOIBB-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001283174269 942845148 /nfs/dbraw/zinc/84/51/48/942845148.db2.gz RNQCUJRYLUVISW-HOTGVXAUSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001283184399 942848346 /nfs/dbraw/zinc/84/83/46/942848346.db2.gz AMIOUGCDOVUMJT-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001263179558 943776662 /nfs/dbraw/zinc/77/66/62/943776662.db2.gz QDBSQYUBCLCGCO-OUCADQQQSA-N 2 0 251.374 1.071 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001263955309 944044324 /nfs/dbraw/zinc/04/43/24/944044324.db2.gz JBYIECMROUBNGM-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264115592 944082391 /nfs/dbraw/zinc/08/23/91/944082391.db2.gz ZJECDJKCBXYLDF-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001264394117 944125815 /nfs/dbraw/zinc/12/58/15/944125815.db2.gz UFEXPVFXPIMDTK-OKILXGFUSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001264545249 944148117 /nfs/dbraw/zinc/14/81/17/944148117.db2.gz HDEMRCFGANUNBI-PMPSAXMXSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001264559710 944149402 /nfs/dbraw/zinc/14/94/02/944149402.db2.gz ORIWEMJVUWNRBZ-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001265215923 944282938 /nfs/dbraw/zinc/28/29/38/944282938.db2.gz DWHDHQHHQOYWIK-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001265395079 944372981 /nfs/dbraw/zinc/37/29/81/944372981.db2.gz ONUFGGUBIIOQJY-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001265478520 944402996 /nfs/dbraw/zinc/40/29/96/944402996.db2.gz HADSJSOWFBOEGF-KKUMJFAQSA-N 2 0 277.412 1.141 10 30 CDEERP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001265657516 944459111 /nfs/dbraw/zinc/45/91/11/944459111.db2.gz FRRXVYKQBAJQGX-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001278004615 944555628 /nfs/dbraw/zinc/55/56/28/944555628.db2.gz DPBIHJQKMOWYTA-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001266008472 944625289 /nfs/dbraw/zinc/62/52/89/944625289.db2.gz FCWATSVHDVAYQL-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001266008473 944625724 /nfs/dbraw/zinc/62/57/24/944625724.db2.gz FCWATSVHDVAYQL-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001266040984 944650654 /nfs/dbraw/zinc/65/06/54/944650654.db2.gz PTGXPASQCXABJQ-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001261552310 946171645 /nfs/dbraw/zinc/17/16/45/946171645.db2.gz OFXQAIJMETWLRD-CQSZACIVSA-N 2 0 292.427 1.390 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001278397417 947549836 /nfs/dbraw/zinc/54/98/36/947549836.db2.gz HHHAWKDMUDTISU-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001278403115 947623406 /nfs/dbraw/zinc/62/34/06/947623406.db2.gz GOCRRVUNMRZXDT-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001479915226 971484787 /nfs/dbraw/zinc/48/47/87/971484787.db2.gz OBZXMDQEDBYDEW-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CN(CC)CCO1)C(C)(C)C ZINC001279033865 948627033 /nfs/dbraw/zinc/62/70/33/948627033.db2.gz GTJPSMNQRHHKLT-KGLIPLIRSA-N 2 0 297.443 1.014 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480121896 971586662 /nfs/dbraw/zinc/58/66/62/971586662.db2.gz DOZZGKFILNUROJ-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001480158273 971607332 /nfs/dbraw/zinc/60/73/32/971607332.db2.gz WZHPPQIXQZRPSK-KLHDSHLOSA-N 2 0 293.455 1.920 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001569058488 1169622746 /nfs/dbraw/zinc/62/27/46/1169622746.db2.gz GRVUNCIWSOMEGI-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001480358102 971687337 /nfs/dbraw/zinc/68/73/37/971687337.db2.gz MMFNVDIEFRQVJU-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001324831129 953599144 /nfs/dbraw/zinc/59/91/44/953599144.db2.gz AMNGAHIPVBADBT-KRWDZBQOSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001493156333 971962032 /nfs/dbraw/zinc/96/20/32/971962032.db2.gz PIHQZULMNLZCFV-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001325581658 953971770 /nfs/dbraw/zinc/97/17/70/953971770.db2.gz NGRHTRAFHDVRNP-GJZGRUSLSA-N 2 0 281.444 1.588 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001326420127 954371598 /nfs/dbraw/zinc/37/15/98/954371598.db2.gz YZUYNUNRQKVDGL-CVEARBPZSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCCC3(CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC001328455982 955300697 /nfs/dbraw/zinc/30/06/97/955300697.db2.gz SRXKILSDVQWBFC-KRWDZBQOSA-N 2 0 291.439 1.677 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001328858993 955517224 /nfs/dbraw/zinc/51/72/24/955517224.db2.gz IJYCEHIJTKUMMG-UHFFFAOYSA-N 2 0 293.455 1.921 10 30 CDEERP N#C[C@H]1CC[C@@H]([NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001422429554 955996422 /nfs/dbraw/zinc/99/64/22/955996422.db2.gz ARDBIVUIPOBISF-JKSUJKDBSA-N 2 0 291.439 1.991 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001329748647 956095617 /nfs/dbraw/zinc/09/56/17/956095617.db2.gz ACDCKYUXWXGVDQ-HNNXBMFYSA-N 2 0 293.455 1.424 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC001328279776 956844156 /nfs/dbraw/zinc/84/41/56/956844156.db2.gz PXACPVSBGQPCQT-GJZGRUSLSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001331456276 957073235 /nfs/dbraw/zinc/07/32/35/957073235.db2.gz SUPSMRGBVUGJHL-QLFBSQMISA-N 2 0 281.444 1.729 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001316986169 957185328 /nfs/dbraw/zinc/18/53/28/957185328.db2.gz ORSUUFNPSRKLBS-HRCADAONSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001317080562 957256568 /nfs/dbraw/zinc/25/65/68/957256568.db2.gz ZZAVKVHSICTANJ-YHUYYLMFSA-N 2 0 289.423 1.263 10 30 CDEERP CC#CC[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001317220984 957349979 /nfs/dbraw/zinc/34/99/79/957349979.db2.gz QPHHJPPFZSKRQE-UYSNPLJNSA-N 2 0 293.455 1.613 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317247458 957377218 /nfs/dbraw/zinc/37/72/18/957377218.db2.gz QAWYKXFEAMBYIP-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C#CCC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001332119467 957438586 /nfs/dbraw/zinc/43/85/86/957438586.db2.gz RZGKJMIVULJFLT-WBVHZDCISA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001317430427 957467282 /nfs/dbraw/zinc/46/72/82/957467282.db2.gz VBINMEQMZSRPMZ-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001332389087 957542867 /nfs/dbraw/zinc/54/28/67/957542867.db2.gz WBEZOFBHDUKVBL-AWEZNQCLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001317648341 957621321 /nfs/dbraw/zinc/62/13/21/957621321.db2.gz SNDNGEIWMGYSLG-MRXNPFEDSA-N 2 0 289.423 1.913 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001318538505 958160789 /nfs/dbraw/zinc/16/07/89/958160789.db2.gz UKJLQSCZZXNQOA-KBPBESRZSA-N 2 0 269.433 1.633 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001318965474 958323152 /nfs/dbraw/zinc/32/31/52/958323152.db2.gz HDCBDIGUBQEKSM-RBSFLKMASA-N 2 0 277.412 1.121 10 30 CDEERP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001319042840 958349419 /nfs/dbraw/zinc/34/94/19/958349419.db2.gz BFXYXIILQLYAEY-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001319476005 958585643 /nfs/dbraw/zinc/58/56/43/958585643.db2.gz MREHLGBMDZQNPM-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001319550437 958624886 /nfs/dbraw/zinc/62/48/86/958624886.db2.gz DVDSIOKUQLYUNU-AWEZNQCLSA-N 2 0 297.443 1.110 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001494987199 972364619 /nfs/dbraw/zinc/36/46/19/972364619.db2.gz HQKUKWCFLMJJSM-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc2c[nH]ccc-2n1 ZINC001320147247 958967210 /nfs/dbraw/zinc/96/72/10/958967210.db2.gz OUTSOJAARLOVEO-OCCSQVGLSA-N 2 0 296.374 1.684 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001321112563 959599062 /nfs/dbraw/zinc/59/90/62/959599062.db2.gz SEMCNTFCMQVFJO-DKLOGILVSA-N 2 0 291.439 1.841 10 30 CDEERP C=CCCC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001495236696 972454823 /nfs/dbraw/zinc/45/48/23/972454823.db2.gz YHPYUCLGPDRBAH-WBVHZDCISA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001495278745 972462716 /nfs/dbraw/zinc/46/27/16/972462716.db2.gz XCZJGXZDWNNOJV-AWEZNQCLSA-N 2 0 287.835 1.565 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001322792274 960323626 /nfs/dbraw/zinc/32/36/26/960323626.db2.gz JMIXQWPKQAAFCM-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001342366476 963722235 /nfs/dbraw/zinc/72/22/35/963722235.db2.gz YNRLXPTZSKZQTD-CYBMUJFWSA-N 2 0 267.417 1.790 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001569420871 1169873284 /nfs/dbraw/zinc/87/32/84/1169873284.db2.gz DFDHULJFAKIFKL-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C#CC[NH+]1CCC(OC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001526629395 968581993 /nfs/dbraw/zinc/58/19/93/968581993.db2.gz DZECFIOQVLFKAS-UHFFFAOYSA-N 2 0 290.407 1.503 10 30 CDEERP C(CNN=C1CCC[N@@H+]2CCCC[C@@H]12)CN1CCOCC1 ZINC000848411255 969075789 /nfs/dbraw/zinc/07/57/89/969075789.db2.gz WGCGVGROFZFIOH-INIZCTEOSA-N 2 0 294.443 1.303 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001355611725 969226580 /nfs/dbraw/zinc/22/65/80/969226580.db2.gz HQYXNBSLKYRVPD-OCCSQVGLSA-N 2 0 251.374 1.025 10 30 CDEERP C#CCCN1CCN(C(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001464612884 969800871 /nfs/dbraw/zinc/80/08/71/969800871.db2.gz TWMZEXMTKGKDOA-MRXNPFEDSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001480596896 970075453 /nfs/dbraw/zinc/07/54/53/970075453.db2.gz MUNBFAZYNMQLRO-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(CN(C)C)on1 ZINC001467727563 970092550 /nfs/dbraw/zinc/09/25/50/970092550.db2.gz LGDWSXSQPGZIIK-UHFFFAOYSA-N 2 0 294.399 1.316 10 30 CDEERP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001495603443 972548940 /nfs/dbraw/zinc/54/89/40/972548940.db2.gz YIVUOCKYFFQHCF-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001495682765 972593821 /nfs/dbraw/zinc/59/38/21/972593821.db2.gz GMCOTIDSUJOUSC-GOEBONIOSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001496837676 973113874 /nfs/dbraw/zinc/11/38/74/973113874.db2.gz DOJXTUPIBCBDIJ-UHFFFAOYSA-N 2 0 293.455 1.666 10 30 CDEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001569694962 1169967742 /nfs/dbraw/zinc/96/77/42/1169967742.db2.gz CFHASVCTOUVMSJ-MRXNPFEDSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCC1 ZINC001501979861 974666690 /nfs/dbraw/zinc/66/66/90/974666690.db2.gz KWZWAMPTEKUTDE-UHFFFAOYSA-N 2 0 289.423 1.267 10 30 CDEERP C=CC[NH2+]C1(CC)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001502505081 974746136 /nfs/dbraw/zinc/74/61/36/974746136.db2.gz WCTZGXVWHRPTOE-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001505445069 974880891 /nfs/dbraw/zinc/88/08/91/974880891.db2.gz OADGDHMKXNRSSZ-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001506045664 975099294 /nfs/dbraw/zinc/09/92/94/975099294.db2.gz BGHHXLLNPFBKNE-ZBFHGGJFSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001506970772 975277355 /nfs/dbraw/zinc/27/73/55/975277355.db2.gz SEUUQNVDEDFJJO-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001507427190 975466388 /nfs/dbraw/zinc/46/63/88/975466388.db2.gz IXHWPDDCDXEEOI-KGLIPLIRSA-N 2 0 299.846 1.709 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001394668617 978226354 /nfs/dbraw/zinc/22/63/54/978226354.db2.gz JCVHBIRTLFIERM-NWDGAFQWSA-N 2 0 273.808 1.270 10 30 CDEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001675140015 1174079993 /nfs/dbraw/zinc/07/99/93/1174079993.db2.gz LETWIAGIVQRXLD-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001675139140 1174079650 /nfs/dbraw/zinc/07/96/50/1174079650.db2.gz AMIRRWHNUKNCAW-JKSUJKDBSA-N 2 0 295.471 1.977 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001676854443 1174280696 /nfs/dbraw/zinc/28/06/96/1174280696.db2.gz UBQZOVNTANJVLK-HRCADAONSA-N 2 0 291.439 1.177 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001571003085 1170328273 /nfs/dbraw/zinc/32/82/73/1170328273.db2.gz WXZCSGBIRNNRFA-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001571613022 1170494543 /nfs/dbraw/zinc/49/45/43/1170494543.db2.gz HOSTXHUPNDICRC-CQSZACIVSA-N 2 0 267.417 1.129 10 30 CDEERP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)CCC ZINC001656106422 1171768152 /nfs/dbraw/zinc/76/81/52/1171768152.db2.gz ZSVSGUZCSJHARL-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001656848134 1171884694 /nfs/dbraw/zinc/88/46/94/1171884694.db2.gz WSBYYIZFBASKTH-CVEARBPZSA-N 2 0 291.439 1.130 10 30 CDEERP C[NH+]1CCC2(CC1)C[N@H+](CCCSCC#N)CCO2 ZINC000592181132 342679243 /nfs/dbraw/zinc/67/92/43/342679243.db2.gz DABGFVOGACCPDH-UHFFFAOYSA-N 2 0 283.441 1.430 10 30 CDEERP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)CCO2 ZINC000592184285 342679768 /nfs/dbraw/zinc/67/97/68/342679768.db2.gz IHTAEDMDVSEGLJ-ZIAGYGMSSA-N 2 0 263.385 1.475 10 30 CDEERP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437257 342898996 /nfs/dbraw/zinc/89/89/96/342898996.db2.gz VFFZBVUHELCZCJ-KGLIPLIRSA-N 2 0 280.416 1.340 10 30 CDEERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594440678 342906930 /nfs/dbraw/zinc/90/69/30/342906930.db2.gz HSFYJHPGGYKILR-CHWSQXEVSA-N 2 0 268.405 1.244 10 30 CDEERP Cc1cc(C[NH3+])cc(NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594450286 342909779 /nfs/dbraw/zinc/90/97/79/342909779.db2.gz WRNJUESVKRSIKA-CQSZACIVSA-N 2 0 274.368 1.804 10 30 CDEERP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000600715716 342244166 /nfs/dbraw/zinc/24/41/66/342244166.db2.gz HTNJTICWTVGNMH-MCIONIFRSA-N 2 0 263.385 1.258 10 30 CDEERP N#C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000442721925 362083506 /nfs/dbraw/zinc/08/35/06/362083506.db2.gz WLJRQEVOBLRENX-ZIAGYGMSSA-N 2 0 251.374 1.381 10 30 CDEERP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@@H+]1C ZINC000601852412 344271803 /nfs/dbraw/zinc/27/18/03/344271803.db2.gz YPBRBQQZYMFBHL-UONOGXRCSA-N 2 0 280.416 1.196 10 30 CDEERP C#C[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001659172686 1172105092 /nfs/dbraw/zinc/10/50/92/1172105092.db2.gz OGPAYMRXUJJSJP-WLYUNCDWSA-N 2 0 250.386 1.631 10 30 CDEERP CC[C@@H](CNC(NCCCOC)=[NH+]C)[NH+]1CCCC1 ZINC000065503436 363294541 /nfs/dbraw/zinc/29/45/41/363294541.db2.gz BNINJIPJIZIVIH-ZDUSSCGKSA-N 2 0 270.421 1.062 10 30 CDEERP C=CCC[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001660253031 1172184795 /nfs/dbraw/zinc/18/47/95/1172184795.db2.gz COYIYXUBGNKRQU-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001660447667 1172216643 /nfs/dbraw/zinc/21/66/43/1172216643.db2.gz RXHNJYJZNOKEIT-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP N#CCc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000563153632 359133207 /nfs/dbraw/zinc/13/32/07/359133207.db2.gz CMFSJNBGEJTCME-SJORKVTESA-N 2 0 285.391 1.609 10 30 CDEERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N(C)CCC#N)[C@H](C)C1 ZINC000092804896 360285579 /nfs/dbraw/zinc/28/55/79/360285579.db2.gz NHDNUUOFRNHKLM-CABCVRRESA-N 2 0 294.443 1.411 10 30 CDEERP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528391908 361274219 /nfs/dbraw/zinc/27/42/19/361274219.db2.gz FTWKMNYSHOZMKO-HUUCEWRRSA-N 2 0 279.428 1.705 10 30 CDEERP Cc1cc([NH+]=C2C=CC(C[NH3+])(C[NH3+])C=C2)c(N)cc1N ZINC000223768635 373624416 /nfs/dbraw/zinc/62/44/16/373624416.db2.gz CGSIAESWHIRKNU-UHFFFAOYSA-N 3 0 271.368 1.262 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCC[NH2+]1 ZINC000662419012 412994842 /nfs/dbraw/zinc/99/48/42/412994842.db2.gz ZHAULOKTATUFDM-HOCLYGCPSA-N 2 0 279.428 1.709 10 30 CDEERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C#N)o2)CC1 ZINC000121103444 147358560 /nfs/dbraw/zinc/35/85/60/147358560.db2.gz HCUJVFSQZHIWGZ-CYBMUJFWSA-N 2 0 291.395 1.676 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001664687162 1172884860 /nfs/dbraw/zinc/88/48/60/1172884860.db2.gz PYQGIRUTADUYQS-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[C@@]1(C(=O)NC2CC[NH+](CC(C)C)CC2)CCC[NH2+]1 ZINC000662672595 413288718 /nfs/dbraw/zinc/28/87/18/413288718.db2.gz CDQWYRQUJDEWHZ-KRWDZBQOSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000662701840 413347003 /nfs/dbraw/zinc/34/70/03/413347003.db2.gz VNJPVQYCQBZGPW-NVXWUHKLSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000662708567 413355877 /nfs/dbraw/zinc/35/58/77/413355877.db2.gz MYUKZGRUUMKJNV-GDBMZVCRSA-N 2 0 277.412 1.381 10 30 CDEERP C=CC[C@]1(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCC[NH2+]1 ZINC000662723449 413384778 /nfs/dbraw/zinc/38/47/78/413384778.db2.gz YEGFAXOVBHRAND-MRXNPFEDSA-N 2 0 297.362 1.904 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CCC[NH2+]1 ZINC000662754156 413431036 /nfs/dbraw/zinc/43/10/36/413431036.db2.gz FQBPSMRDGABJIY-XNRPHZJLSA-N 2 0 277.412 1.284 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001665570042 1173012008 /nfs/dbraw/zinc/01/20/08/1173012008.db2.gz QQTGFOCTCPNOOQ-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP [NH3+]CC#Cc1ccsc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000043683968 175091887 /nfs/dbraw/zinc/09/18/87/175091887.db2.gz OYONMELCOHOZOX-GFCCVEGCSA-N 2 0 250.367 1.015 10 30 CDEERP [NH3+]CC#Cc1csc(CN2CC[NH+](CC3CC3)CC2)c1 ZINC000043689033 175095980 /nfs/dbraw/zinc/09/59/80/175095980.db2.gz RYQFZYGSTYFRSI-UHFFFAOYSA-N 2 0 289.448 1.586 10 30 CDEERP C[N@@H+](Cc1cc(C#CC[NH3+])cs1)C[C@@H]1CCCO1 ZINC000043688981 175096100 /nfs/dbraw/zinc/09/61/00/175096100.db2.gz GDAZMZVRJKGPTA-ZDUSSCGKSA-N 2 0 264.394 1.669 10 30 CDEERP C#CCN1CCC([NH2+]CC2CC[NH+](CC)CC2)CC1 ZINC000044517816 175190714 /nfs/dbraw/zinc/19/07/14/175190714.db2.gz SAVCCZYWPOUNFA-UHFFFAOYSA-N 2 0 263.429 1.406 10 30 CDEERP CN(Cc1ccc(C#CC[NH3+])cc1F)C[C@H]1CC[N@H+](C)C1 ZINC000071190477 176067163 /nfs/dbraw/zinc/06/71/63/176067163.db2.gz DWXFRWAOPGADTB-HNNXBMFYSA-N 2 0 289.398 1.519 10 30 CDEERP CN[C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190764 176067637 /nfs/dbraw/zinc/06/76/37/176067637.db2.gz KTUYBRKSZITEAM-KBPBESRZSA-N 2 0 252.406 1.152 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001666642164 1173165583 /nfs/dbraw/zinc/16/55/83/1173165583.db2.gz UMWOEGXZEXCJPO-HNNXBMFYSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001666938327 1173209906 /nfs/dbraw/zinc/20/99/06/1173209906.db2.gz KQNVCUGVMZJOIP-GFCCVEGCSA-N 2 0 286.379 1.879 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001671768421 1173711401 /nfs/dbraw/zinc/71/14/01/1173711401.db2.gz FDQQYWHPTFBRNR-KRWDZBQOSA-N 2 0 291.439 1.322 10 30 CDEERP C[N@@H+]1CCC[C@H]2C[NH+](CCOCCC#N)CC[C@@H]21 ZINC000339020150 327007977 /nfs/dbraw/zinc/00/79/77/327007977.db2.gz DEXQYVKTUBALAK-KBPBESRZSA-N 2 0 251.374 1.333 10 30 CDEERP C[NH+]=C(NCC[NH+]1CCCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000179131590 329205477 /nfs/dbraw/zinc/20/54/77/329205477.db2.gz ILFZIICUFIFKDS-GJZGRUSLSA-N 2 0 278.444 1.780 10 30 CDEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NCC(C)(C)SC ZINC000262451525 330013939 /nfs/dbraw/zinc/01/39/39/330013939.db2.gz DUBFCEPIRWTHAV-NSHDSACASA-N 2 0 272.462 1.387 10 30 CDEERP C=CCNC(=[NH2+])NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000262691206 330027680 /nfs/dbraw/zinc/02/76/80/330027680.db2.gz WEJBFFIGKCJRAH-UHFFFAOYSA-N 2 0 293.459 1.027 10 30 CDEERP CC[NH+]=C(N[C@@H]1C[C@H]1C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262743834 330029018 /nfs/dbraw/zinc/02/90/18/330029018.db2.gz FNZUBBHWAAIQON-UMVBOHGHSA-N 2 0 278.444 1.967 10 30 CDEERP C[NH+](C)CC1CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424200489 330326637 /nfs/dbraw/zinc/32/66/37/330326637.db2.gz ZOPITWLNEUBHDW-RUXDESIVSA-N 2 0 280.416 1.244 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001692204365 1175699277 /nfs/dbraw/zinc/69/92/77/1175699277.db2.gz QIEKDRIPIBBGQE-RRFJBIMHSA-N 2 0 279.428 1.175 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001692263944 1159230611 /nfs/dbraw/zinc/23/06/11/1159230611.db2.gz VBSLROMKBQTOHN-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP CC#CC[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001725761357 1159277964 /nfs/dbraw/zinc/27/79/64/1159277964.db2.gz AAWFLFOXMCKRCB-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001267701427 1159571831 /nfs/dbraw/zinc/57/18/31/1159571831.db2.gz RZPNZVKCYFTUAX-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)[C@H](CO)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000679537182 483380788 /nfs/dbraw/zinc/38/07/88/483380788.db2.gz GGKINBQUPQWVQA-KRWDZBQOSA-N 2 0 296.455 1.748 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001691679082 1161559833 /nfs/dbraw/zinc/55/98/33/1161559833.db2.gz RFUVRUFWMDTORL-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001717336055 1180621309 /nfs/dbraw/zinc/62/13/09/1180621309.db2.gz NCRUZCZXQUPFPT-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001725167796 1181900806 /nfs/dbraw/zinc/90/08/06/1181900806.db2.gz ZTJKFLSRBBSMCB-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725184721 1181911717 /nfs/dbraw/zinc/91/17/17/1181911717.db2.gz AATSBPXSOVGGCW-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#CC[NH3+])cc2)C1 ZINC000049232048 521624188 /nfs/dbraw/zinc/62/41/88/521624188.db2.gz RBPYPLRBPYDTBG-MRXNPFEDSA-N 2 0 285.391 1.211 10 30 CDEERP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1F)C[C@H]1CCCO1 ZINC000049609684 523202999 /nfs/dbraw/zinc/20/29/99/523202999.db2.gz FKYLJVDJUYZJLA-OAHLLOKOSA-N 2 0 276.355 1.747 10 30 CDEERP C[N@@H+](Cc1ccc(F)cc1C#CC[NH3+])C[C@@H]1CCCO1 ZINC000049609687 523254079 /nfs/dbraw/zinc/25/40/79/523254079.db2.gz FLMXKSBQKOCBCN-INIZCTEOSA-N 2 0 276.355 1.747 10 30 CDEERP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000049608325 523513032 /nfs/dbraw/zinc/51/30/32/523513032.db2.gz WXOQWIQVWPJHNK-OAHLLOKOSA-N 2 0 288.391 1.210 10 30 CDEERP CC[C@H](C)[NH+]1CCN(Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000055069288 523955644 /nfs/dbraw/zinc/95/56/44/523955644.db2.gz NGEKWMZKKLLNBU-AWEZNQCLSA-N 2 0 291.464 1.974 10 30 CDEERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000925609507 617553719 /nfs/dbraw/zinc/55/37/19/617553719.db2.gz UWMAFHXJGLKIFI-TZMCWYRMSA-N 2 0 264.417 1.470 10 30 CDEERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(C#N)c(F)c1 ZINC000925815392 617768069 /nfs/dbraw/zinc/76/80/69/617768069.db2.gz PYKFKMZTVMCDDG-GFCCVEGCSA-N 2 0 290.386 1.771 10 30 CDEERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902839270 625492705 /nfs/dbraw/zinc/49/27/05/625492705.db2.gz PWLPINIKAFNVHM-ZFWWWQNUSA-N 2 0 290.411 1.961 10 30 CDEERP C=CCCC[N@@H+](CC)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904471595 626304275 /nfs/dbraw/zinc/30/42/75/626304275.db2.gz JQQXHOJMCJNOBM-AWEZNQCLSA-N 2 0 267.417 1.472 10 30 CDEERP C[N@@H+]1CCC[C@H]1CNC(NC(C)(C)C)=[NH+]C1CC1 ZINC000912506029 630048219 /nfs/dbraw/zinc/04/82/19/630048219.db2.gz FWNRQNMVOVTVMX-LBPRGKRZSA-N 2 0 252.406 1.577 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691147267 1158933739 /nfs/dbraw/zinc/93/37/39/1158933739.db2.gz RKRXRSSDUKUGGI-SHTZXODSSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001266979261 1159039333 /nfs/dbraw/zinc/03/93/33/1159039333.db2.gz BEHZUIGZDVKFMQ-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001732083234 1159725129 /nfs/dbraw/zinc/72/51/29/1159725129.db2.gz GYIBVHMLTISNFS-MRXNPFEDSA-N 2 0 293.455 1.829 10 30 CDEERP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001483973631 1161243559 /nfs/dbraw/zinc/24/35/59/1161243559.db2.gz BKUHNPCVEKIRSW-CQSZACIVSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000876731334 1165903482 /nfs/dbraw/zinc/90/34/82/1165903482.db2.gz IMZRRCDAMQAJTJ-AAEUAGOBSA-N 2 0 287.835 1.695 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000876787472 1165916282 /nfs/dbraw/zinc/91/62/82/1165916282.db2.gz QVZVWADQNAXUEH-NSHDSACASA-N 2 0 259.781 1.009 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC001627128335 1165978450 /nfs/dbraw/zinc/97/84/50/1165978450.db2.gz WJZVHUGCVYITCN-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877249307 1166003560 /nfs/dbraw/zinc/00/35/60/1166003560.db2.gz ITCLSNBMTJPUQP-GRYCIOLGSA-N 2 0 271.792 1.009 10 30 CDEERP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001565977486 1168206975 /nfs/dbraw/zinc/20/69/75/1168206975.db2.gz FHNCLWROMNZMQO-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001566897054 1168460108 /nfs/dbraw/zinc/46/01/08/1168460108.db2.gz PTGGMWJPOXFAEW-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001567503229 1168815529 /nfs/dbraw/zinc/81/55/29/1168815529.db2.gz WWUFVOUDDDIYSV-UHFFFAOYSA-N 2 0 293.436 1.495 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001569567616 1169926896 /nfs/dbraw/zinc/92/68/96/1169926896.db2.gz ZOGWXAACRBBNHH-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001570090313 1170075782 /nfs/dbraw/zinc/07/57/82/1170075782.db2.gz WDYSPHQKGRGJSL-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001661554593 1172405683 /nfs/dbraw/zinc/40/56/83/1172405683.db2.gz DAVSPIBIVSQAEW-HOTGVXAUSA-N 2 0 293.455 1.826 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001662293436 1172522838 /nfs/dbraw/zinc/52/28/38/1172522838.db2.gz RCYWBEUOJIYDND-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001662724054 1172587227 /nfs/dbraw/zinc/58/72/27/1172587227.db2.gz ZYTYJIGJQOEUAM-AWEZNQCLSA-N 2 0 265.401 1.096 10 30 CDEERP C=CC[N@@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)C(C)C ZINC001664553277 1172868585 /nfs/dbraw/zinc/86/85/85/1172868585.db2.gz VPXSJMWQCKQNID-KRWDZBQOSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668162916 1173376136 /nfs/dbraw/zinc/37/61/36/1173376136.db2.gz KYMBLOHQRHVJFJ-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001674558286 1173963600 /nfs/dbraw/zinc/96/36/00/1173963600.db2.gz HVPKRCXSHSDQLT-UHFFFAOYSA-N 2 0 291.439 1.675 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001690471870 1175478994 /nfs/dbraw/zinc/47/89/94/1175478994.db2.gz WUAUQWYBAHTJDH-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001690620836 1175526964 /nfs/dbraw/zinc/52/69/64/1175526964.db2.gz IEBGFVISWWWITR-KBPBESRZSA-N 2 0 267.417 1.224 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001690771953 1175570834 /nfs/dbraw/zinc/57/08/34/1175570834.db2.gz MGXAAQKIVWYMPM-LSDHHAIUSA-N 2 0 291.439 1.511 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001692257553 1175717190 /nfs/dbraw/zinc/71/71/90/1175717190.db2.gz IHDXMRLGZBBDTB-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001692368984 1175752610 /nfs/dbraw/zinc/75/26/10/1175752610.db2.gz OMOAGMQGWZEHKD-HRCADAONSA-N 2 0 291.439 1.722 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001698611954 1175871502 /nfs/dbraw/zinc/87/15/02/1175871502.db2.gz AUWQYNGHQZKCJP-CYBMUJFWSA-N 2 0 269.433 1.635 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001698893724 1175979156 /nfs/dbraw/zinc/97/91/56/1175979156.db2.gz RPNFMBXWGRSCRD-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001699034358 1176051807 /nfs/dbraw/zinc/05/18/07/1176051807.db2.gz MHXDNKGCAIPUHJ-KGLIPLIRSA-N 2 0 277.412 1.143 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001699313865 1176214028 /nfs/dbraw/zinc/21/40/28/1176214028.db2.gz JTOYTUWGWAOKHA-AATRIKPKSA-N 2 0 277.412 1.004 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699440400 1176405108 /nfs/dbraw/zinc/40/51/08/1176405108.db2.gz DAHBCRZLQFLLCN-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001699450201 1176413787 /nfs/dbraw/zinc/41/37/87/1176413787.db2.gz IWSFMPLKHIJOBU-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001699663558 1176557508 /nfs/dbraw/zinc/55/75/08/1176557508.db2.gz QTYGANYSGLPXBD-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001700103719 1176748423 /nfs/dbraw/zinc/74/84/23/1176748423.db2.gz KUKUCAMWNOWBJY-WKILWMFISA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001700486895 1176974859 /nfs/dbraw/zinc/97/48/59/1176974859.db2.gz HAVSUSHEKMINPY-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001700639787 1177050132 /nfs/dbraw/zinc/05/01/32/1177050132.db2.gz LHMOSHOUGZNICU-CTYIDZIISA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[NH+]1CCC([C@@H](C)NC(=O)CC[N@@H+](C)CC)CC1 ZINC001701007086 1177237252 /nfs/dbraw/zinc/23/72/52/1177237252.db2.gz SJFXXRUCIYNNTN-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001707075704 1177940738 /nfs/dbraw/zinc/94/07/38/1177940738.db2.gz SISGLOFRLSUCMR-XHSDSOJGSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001713124562 1178382446 /nfs/dbraw/zinc/38/24/46/1178382446.db2.gz IHSWHKJSQITIBJ-LSDHHAIUSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001713206385 1178431545 /nfs/dbraw/zinc/43/15/45/1178431545.db2.gz PIRKVNGPABDOHZ-UXLLHSPISA-N 2 0 291.439 1.675 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001713343810 1178510838 /nfs/dbraw/zinc/51/08/38/1178510838.db2.gz BMGFJXHYDZICOP-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001713459288 1178576698 /nfs/dbraw/zinc/57/66/98/1178576698.db2.gz FOHOWLAWIYQWLN-UHFFFAOYSA-N 2 0 272.352 1.490 10 30 CDEERP C=CC[N@@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001713564799 1178651177 /nfs/dbraw/zinc/65/11/77/1178651177.db2.gz LJEPLEQXZQHLAP-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001713880695 1178813221 /nfs/dbraw/zinc/81/32/21/1178813221.db2.gz QQAPLRHCCXAWOQ-OAHLLOKOSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001714005064 1178923325 /nfs/dbraw/zinc/92/33/25/1178923325.db2.gz ZHTZNNOBNRVSRP-INIZCTEOSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001714078323 1178963850 /nfs/dbraw/zinc/96/38/50/1178963850.db2.gz HBTUVVJIPXOXPL-HNNXBMFYSA-N 2 0 295.471 1.979 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001714077890 1178964038 /nfs/dbraw/zinc/96/40/38/1178964038.db2.gz DFFAOSODUWPRKE-CQSZACIVSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001714093968 1178969359 /nfs/dbraw/zinc/96/93/59/1178969359.db2.gz UJBHWDHRSJUKEK-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP C#CC[NH2+]C[C@](C)(NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001714174474 1179002288 /nfs/dbraw/zinc/00/22/88/1179002288.db2.gz YMRXLHVQLBOJHN-KRWDZBQOSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714390078 1179119940 /nfs/dbraw/zinc/11/99/40/1179119940.db2.gz BLBGOHFJUOUVCE-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001714490745 1179167502 /nfs/dbraw/zinc/16/75/02/1179167502.db2.gz MSBHQPWFXUVYBA-CQSZACIVSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)C(C)C)C1 ZINC001714868882 1179420771 /nfs/dbraw/zinc/42/07/71/1179420771.db2.gz XVPDPLNVQMVDNA-OAHLLOKOSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001714890346 1179438887 /nfs/dbraw/zinc/43/88/87/1179438887.db2.gz HRTRYIVQPAKTLR-HZPDHXFCSA-N 2 0 293.455 1.826 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001715014580 1179510059 /nfs/dbraw/zinc/51/00/59/1179510059.db2.gz AKLZQFHUBPVPAR-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001715146979 1179564109 /nfs/dbraw/zinc/56/41/09/1179564109.db2.gz RDQGVOWWRRBMCI-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715368844 1179646289 /nfs/dbraw/zinc/64/62/89/1179646289.db2.gz MJXOYOHGDUEJSY-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001715441611 1179667689 /nfs/dbraw/zinc/66/76/89/1179667689.db2.gz ZOULQXXIJCXPBF-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001715441618 1179667916 /nfs/dbraw/zinc/66/79/16/1179667916.db2.gz ZOULQXXIJCXPBF-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001715532342 1179703695 /nfs/dbraw/zinc/70/36/95/1179703695.db2.gz VIBDYARLHMPOFP-INIZCTEOSA-N 2 0 293.455 1.522 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CC(C)C)CC1 ZINC001715540171 1179708626 /nfs/dbraw/zinc/70/86/26/1179708626.db2.gz SXYSCEJRMFMLPO-UHFFFAOYSA-N 2 0 293.455 1.378 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001715573032 1179721868 /nfs/dbraw/zinc/72/18/68/1179721868.db2.gz XOYXWQXCYMSZDX-HZPDHXFCSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001715820592 1179848835 /nfs/dbraw/zinc/84/88/35/1179848835.db2.gz YTSYRIUMRRFQHN-LFAOLKIESA-N 2 0 277.412 1.145 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001715870484 1179884832 /nfs/dbraw/zinc/88/48/32/1179884832.db2.gz VAWCOSAXTMASKR-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CC(=C)C)CC1 ZINC001716509111 1180261967 /nfs/dbraw/zinc/26/19/67/1180261967.db2.gz WMGKDLPCFJPCCR-HNNXBMFYSA-N 2 0 291.439 1.344 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001716636156 1180317433 /nfs/dbraw/zinc/31/74/33/1180317433.db2.gz IBFBGRRNVRZOBL-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001717162799 1180554549 /nfs/dbraw/zinc/55/45/49/1180554549.db2.gz ISGCIVDWHGITPR-UHFFFAOYSA-N 2 0 277.412 1.124 10 30 CDEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001717290978 1180607006 /nfs/dbraw/zinc/60/70/06/1180607006.db2.gz SNRBXGLYQJBJKW-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717389329 1180643772 /nfs/dbraw/zinc/64/37/72/1180643772.db2.gz KNANTYHGXGRPAZ-UHFFFAOYSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001717560570 1180740768 /nfs/dbraw/zinc/74/07/68/1180740768.db2.gz UHUINOPVPDYKOC-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001717739757 1180818664 /nfs/dbraw/zinc/81/86/64/1180818664.db2.gz ZTCVZMFNQDKWDR-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001717738439 1180819317 /nfs/dbraw/zinc/81/93/17/1180819317.db2.gz JVDNTAXUMRKHPN-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001717748128 1180827537 /nfs/dbraw/zinc/82/75/37/1180827537.db2.gz BGFJDIKUFWKOOV-CQSZACIVSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001723303036 1181535399 /nfs/dbraw/zinc/53/53/99/1181535399.db2.gz WKMRYQHETANJEX-JKSUJKDBSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001724651182 1181714898 /nfs/dbraw/zinc/71/48/98/1181714898.db2.gz PARKPNNXOMEDKA-HZPDHXFCSA-N 2 0 293.455 1.968 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001725047101 1181836461 /nfs/dbraw/zinc/83/64/61/1181836461.db2.gz LCZZCXLJKHTJOI-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001725093320 1181856160 /nfs/dbraw/zinc/85/61/60/1181856160.db2.gz FDIFTIQMGOPHCB-KBPBESRZSA-N 2 0 277.412 1.121 10 30 CDEERP C#CCC[NH+]1CCC([C@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001725772041 1182127120 /nfs/dbraw/zinc/12/71/20/1182127120.db2.gz UTVGXJRIDRMROH-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001725781914 1182131269 /nfs/dbraw/zinc/13/12/69/1182131269.db2.gz YUHLVLNVTMKMFW-YMAMQOFZSA-N 2 0 279.428 1.626 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001725792675 1182133024 /nfs/dbraw/zinc/13/30/24/1182133024.db2.gz KEXRAZAANTYYKK-AWEZNQCLSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001731420953 1182375218 /nfs/dbraw/zinc/37/52/18/1182375218.db2.gz AUVQMWKGIVEJOY-HZPDHXFCSA-N 2 0 291.439 1.132 10 30 CDEERP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001731543870 1182443949 /nfs/dbraw/zinc/44/39/49/1182443949.db2.gz VBLKEZCRUTZWCH-CQSZACIVSA-N 2 0 265.401 1.239 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001731677519 1182514193 /nfs/dbraw/zinc/51/41/93/1182514193.db2.gz XDQPQUANTNIOFJ-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001732102800 1182770354 /nfs/dbraw/zinc/77/03/54/1182770354.db2.gz CVAQFRJUMXHIOE-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001732497102 1182989540 /nfs/dbraw/zinc/98/95/40/1182989540.db2.gz XNIGEECHCPZFIR-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001732524428 1182996465 /nfs/dbraw/zinc/99/64/65/1182996465.db2.gz BUEYWTCIJFUHKL-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001733006410 1183233981 /nfs/dbraw/zinc/23/39/81/1183233981.db2.gz BIZVPXPNMDUGHI-AWEZNQCLSA-N 2 0 287.407 1.132 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001733077693 1183279146 /nfs/dbraw/zinc/27/91/46/1183279146.db2.gz LDJRTUBQIFWSCQ-CABCVRRESA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001733675619 1183494559 /nfs/dbraw/zinc/49/45/59/1183494559.db2.gz GVYPHFWVZYGHHO-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001733690423 1183497533 /nfs/dbraw/zinc/49/75/33/1183497533.db2.gz QAGJGYMKKYYEGW-JYJNAYRXSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001733779730 1183532066 /nfs/dbraw/zinc/53/20/66/1183532066.db2.gz SYQJEIQCQFINQT-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001733869948 1183554977 /nfs/dbraw/zinc/55/49/77/1183554977.db2.gz LTKQMXGVZMRYQT-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001733904177 1183563513 /nfs/dbraw/zinc/56/35/13/1183563513.db2.gz ZIUSAHHNKXLSDJ-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001733900477 1183563674 /nfs/dbraw/zinc/56/36/74/1183563674.db2.gz OWCWSPGOMHWLTA-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001734171203 1183681906 /nfs/dbraw/zinc/68/19/06/1183681906.db2.gz MVNWIJBTJQKTCC-PHZGNYQRSA-N 2 0 291.439 1.342 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877256774 739495670 /nfs/dbraw/zinc/49/56/70/739495670.db2.gz DWZHGDRNKCGYJZ-BXUZGUMPSA-N 2 0 287.835 1.680 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCC[NH2+]1 ZINC000852877053 739850739 /nfs/dbraw/zinc/85/07/39/739850739.db2.gz AOZYJECPPCZKND-CVEARBPZSA-N 2 0 277.412 1.287 10 30 CDEERP CCCCCCNC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000303867747 740530300 /nfs/dbraw/zinc/53/03/00/740530300.db2.gz AFBAJSPTVFPELH-UHFFFAOYSA-N 2 0 284.448 1.583 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(C)C ZINC000876873603 741641390 /nfs/dbraw/zinc/64/13/90/741641390.db2.gz LKCBHCFUKJHYMB-GFCCVEGCSA-N 2 0 275.824 1.503 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000876809620 739653259 /nfs/dbraw/zinc/65/32/59/739653259.db2.gz VPPTWKRZWQGTMZ-LLVKDONJSA-N 2 0 253.733 1.554 10 30 CDEERP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1C#N ZINC000923516252 740562144 /nfs/dbraw/zinc/56/21/44/740562144.db2.gz WRXRFEZLCSTWMS-GOEBONIOSA-N 2 0 255.365 1.908 10 30 CDEERP CCO[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)CN(C)C ZINC000926963527 740800559 /nfs/dbraw/zinc/80/05/59/740800559.db2.gz UVZULPSWICVSHU-MELADBBJSA-N 2 0 253.390 1.625 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000928652835 741251430 /nfs/dbraw/zinc/25/14/30/741251430.db2.gz ONQXYWHUEPTYCM-UHFFFAOYSA-N 2 0 289.423 1.075 10 30 CDEERP C#CCC1(O)CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000880481026 741269245 /nfs/dbraw/zinc/26/92/45/741269245.db2.gz LHHGUVOPZXAMKR-AWEZNQCLSA-N 2 0 250.386 1.321 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000877125520 742802363 /nfs/dbraw/zinc/80/23/63/742802363.db2.gz OJAAWADRSHFDOK-GHMZBOCLSA-N 2 0 259.781 1.186 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001566439816 1167961446 /nfs/dbraw/zinc/96/14/46/1167961446.db2.gz PUIURFCIDYFRBV-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001567103273 1168046983 /nfs/dbraw/zinc/04/69/83/1168046983.db2.gz YQAQRZDJQZVWAE-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001565834865 1168177474 /nfs/dbraw/zinc/17/74/74/1168177474.db2.gz CLHBBSLPVJNCFE-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001566712760 1168398454 /nfs/dbraw/zinc/39/84/54/1168398454.db2.gz QFILHSKVWZXJLQ-BMFZPTHFSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001266344023 894472658 /nfs/dbraw/zinc/47/26/58/894472658.db2.gz BLHLPXHBGCFQFP-UONOGXRCSA-N 2 0 276.384 1.601 10 30 CDEERP C=CCCC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266518306 895198839 /nfs/dbraw/zinc/19/88/39/895198839.db2.gz YDTHDGULKVIZIM-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001266880156 896271193 /nfs/dbraw/zinc/27/11/93/896271193.db2.gz HICPIBPQTCCYIX-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001266974478 896474616 /nfs/dbraw/zinc/47/46/16/896474616.db2.gz FGHPWEDWMAWUGK-LSDHHAIUSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001567549624 1168847133 /nfs/dbraw/zinc/84/71/33/1168847133.db2.gz PIYRFIIPAPWBFF-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001567571206 1168865189 /nfs/dbraw/zinc/86/51/89/1168865189.db2.gz PORJHHNDEBPAFQ-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267319323 897579793 /nfs/dbraw/zinc/57/97/93/897579793.db2.gz GUFJRCIGZBWEIA-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267531526 898262724 /nfs/dbraw/zinc/26/27/24/898262724.db2.gz SVUQTDALIQVPKO-ZBFHGGJFSA-N 2 0 291.439 1.342 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267588301 898585777 /nfs/dbraw/zinc/58/57/77/898585777.db2.gz CHTLTPLSNZKPSW-GJZGRUSLSA-N 2 0 279.428 1.130 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001481144016 898971839 /nfs/dbraw/zinc/97/18/39/898971839.db2.gz ROYGZEJYPPBWKX-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267646763 899152628 /nfs/dbraw/zinc/15/26/28/899152628.db2.gz RSPXTRVDXOYJHM-CVEARBPZSA-N 2 0 291.439 1.273 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001267780043 899712267 /nfs/dbraw/zinc/71/22/67/899712267.db2.gz YRWFLIHRICQETJ-MRXNPFEDSA-N 2 0 291.439 1.418 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001267805100 899774559 /nfs/dbraw/zinc/77/45/59/899774559.db2.gz DQFCNRUQSDATRJ-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268004823 900257492 /nfs/dbraw/zinc/25/74/92/900257492.db2.gz IHKLKGBKGCBYLR-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1ccnc1C ZINC001268099937 901287317 /nfs/dbraw/zinc/28/73/17/901287317.db2.gz JEYXOMZVYQTEMH-KGLIPLIRSA-N 2 0 292.427 1.983 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001481812862 902165261 /nfs/dbraw/zinc/16/52/61/902165261.db2.gz AIPIWTVRYYMQFN-SOUVJXGZSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001482025685 902483333 /nfs/dbraw/zinc/48/33/33/902483333.db2.gz ZLLGZNIRTVMDQM-HDJSIYSDSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268662049 902916624 /nfs/dbraw/zinc/91/66/24/902916624.db2.gz VGTCEDAIZOCMCJ-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001268694869 902976489 /nfs/dbraw/zinc/97/64/89/902976489.db2.gz TUAIQCNXAMWDDF-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001269348739 903723052 /nfs/dbraw/zinc/72/30/52/903723052.db2.gz NDTLKBFQZGTPGW-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001270443520 904639502 /nfs/dbraw/zinc/63/95/02/904639502.db2.gz HZBHKPGBIUFXFM-CVEARBPZSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001482459373 905685797 /nfs/dbraw/zinc/68/57/97/905685797.db2.gz XWIFRQCDUUMDHE-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567914184 1169064996 /nfs/dbraw/zinc/06/49/96/1169064996.db2.gz ARFLMWKDCMKRHT-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001482651666 908121961 /nfs/dbraw/zinc/12/19/61/908121961.db2.gz IGXQWPGSVPYJEW-HNNXBMFYSA-N 2 0 279.428 1.130 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001482678859 908248457 /nfs/dbraw/zinc/24/84/57/908248457.db2.gz MOVMZJGKOFLRHE-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001483082856 909301148 /nfs/dbraw/zinc/30/11/48/909301148.db2.gz YBWVFCZOSARSFQ-ILNYKDOHSA-N 2 0 293.455 1.945 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284645 910795170 /nfs/dbraw/zinc/79/51/70/910795170.db2.gz QAPACZFIPUHMEC-KGLIPLIRSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001483408630 911075224 /nfs/dbraw/zinc/07/52/24/911075224.db2.gz QGADIOVYGZPVRS-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001483408633 911078762 /nfs/dbraw/zinc/07/87/62/911078762.db2.gz QGADIOVYGZPVRS-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)[C@@H](CO)[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001648659517 1169146938 /nfs/dbraw/zinc/14/69/38/1169146938.db2.gz FMSIKTOXGLCABG-OAGGEKHMSA-N 2 0 264.413 1.731 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001484145608 915459565 /nfs/dbraw/zinc/45/95/65/915459565.db2.gz XKRIIYOWCHJRBJ-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484346966 915653452 /nfs/dbraw/zinc/65/34/52/915653452.db2.gz LUAOMXVHMRIPLS-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001568207561 1169177780 /nfs/dbraw/zinc/17/77/80/1169177780.db2.gz CFPGRJNLBCLDNF-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001485433105 916965825 /nfs/dbraw/zinc/96/58/25/916965825.db2.gz KHKQMQWMRZHDGQ-BZUAXINKSA-N 2 0 293.455 1.423 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001272777168 919254105 /nfs/dbraw/zinc/25/41/05/919254105.db2.gz DXZHIOLBMIHTNC-WKILWMFISA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)C[NH+]1CC=C(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001486519776 921093577 /nfs/dbraw/zinc/09/35/77/921093577.db2.gz XJQBLJZKNWKAAN-UHFFFAOYSA-N 2 0 279.428 1.653 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001273084559 921953710 /nfs/dbraw/zinc/95/37/10/921953710.db2.gz SCSXXFMPKZIDQF-OAHLLOKOSA-N 2 0 291.439 1.533 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001491079254 936851730 /nfs/dbraw/zinc/85/17/30/936851730.db2.gz IVYZOYDWRLNRPE-MELADBBJSA-N 2 0 265.401 1.141 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCC1 ZINC001273200691 924496032 /nfs/dbraw/zinc/49/60/32/924496032.db2.gz FBRXNQJGPHHXMF-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001494987204 926609161 /nfs/dbraw/zinc/60/91/61/926609161.db2.gz HQKUKWCFLMJJSM-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001488735099 926670200 /nfs/dbraw/zinc/67/02/00/926670200.db2.gz JGDMUXOCZFTAOB-XHSDSOJGSA-N 2 0 291.439 1.367 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001488916571 926743641 /nfs/dbraw/zinc/74/36/41/926743641.db2.gz XWXMJRZTVCMPEM-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001488960070 926753727 /nfs/dbraw/zinc/75/37/27/926753727.db2.gz FEVMWWKXAUEAFV-ZNMIVQPWSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275405528 931775352 /nfs/dbraw/zinc/77/53/52/931775352.db2.gz VMFYGSVHZOHXID-ZIAGYGMSSA-N 2 0 281.444 1.920 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001275628968 931915476 /nfs/dbraw/zinc/91/54/76/931915476.db2.gz IMTRAIKIUSFVAP-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001276590009 940392956 /nfs/dbraw/zinc/39/29/56/940392956.db2.gz UOARHFWEFQUTBI-CVEARBPZSA-N 2 0 291.439 1.389 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001277008106 941807965 /nfs/dbraw/zinc/80/79/65/941807965.db2.gz NSEMNKHSQKVVHU-HDJSIYSDSA-N 2 0 298.390 1.927 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001277060348 941892362 /nfs/dbraw/zinc/89/23/62/941892362.db2.gz NATROGHKYSVBOM-AWEZNQCLSA-N 2 0 279.428 1.674 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC001332436800 942417055 /nfs/dbraw/zinc/41/70/55/942417055.db2.gz HXPAGGJYKRZTSA-UONOGXRCSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001281572953 942595752 /nfs/dbraw/zinc/59/57/52/942595752.db2.gz XSDVBDUPRZGERR-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001282140355 942667885 /nfs/dbraw/zinc/66/78/85/942667885.db2.gz ILYACMIYLITMHJ-STQMWFEESA-N 2 0 267.417 1.530 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001282390794 942704674 /nfs/dbraw/zinc/70/46/74/942704674.db2.gz IQGLLGNXKDTISW-HUUCEWRRSA-N 2 0 279.428 1.319 10 30 CDEERP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001282652901 942735679 /nfs/dbraw/zinc/73/56/79/942735679.db2.gz CIDKUDCVCDCUAA-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001283080566 942818739 /nfs/dbraw/zinc/81/87/39/942818739.db2.gz OLLOYTFPKQIXRI-RBSFLKMASA-N 2 0 281.444 1.633 10 30 CDEERP C=CC[N@@H+](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001283344694 942882001 /nfs/dbraw/zinc/88/20/01/942882001.db2.gz WWKLFGTXVIHKJE-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001283665297 942962207 /nfs/dbraw/zinc/96/22/07/942962207.db2.gz TYHVNILWBNJCQF-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001284153477 943091803 /nfs/dbraw/zinc/09/18/03/943091803.db2.gz KZFFPGJOMHEDEB-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001284180946 943099571 /nfs/dbraw/zinc/09/95/71/943099571.db2.gz UNBFENGZANWWJP-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001284244316 943129717 /nfs/dbraw/zinc/12/97/17/943129717.db2.gz IYLGHWLCHWWOIO-HOTGVXAUSA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001284292991 943140704 /nfs/dbraw/zinc/14/07/04/943140704.db2.gz LNNFRHDBADEIMO-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)Cc1cn2c(n1)CCCC2 ZINC001277827374 943725726 /nfs/dbraw/zinc/72/57/26/943725726.db2.gz WGMBMEIVAYTSGZ-CYBMUJFWSA-N 2 0 290.411 1.384 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001277852180 943819907 /nfs/dbraw/zinc/81/99/07/943819907.db2.gz UJFXXUJCBKJTJB-HUUCEWRRSA-N 2 0 277.412 1.095 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001277974546 944300752 /nfs/dbraw/zinc/30/07/52/944300752.db2.gz VMAGNRYVSIBJKI-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265312097 944336543 /nfs/dbraw/zinc/33/65/43/944336543.db2.gz HFXVYEYGVCWBGQ-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001265357206 944357265 /nfs/dbraw/zinc/35/72/65/944357265.db2.gz WAFLIYUHIAWEFJ-OAHLLOKOSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265394654 944373660 /nfs/dbraw/zinc/37/36/60/944373660.db2.gz GDFDHIPLGHZJPF-OAHLLOKOSA-N 2 0 293.455 1.685 10 30 CDEERP C=CC[N@@H+](C)CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001265978560 944611397 /nfs/dbraw/zinc/61/13/97/944611397.db2.gz QLCMRIBZSJPOSS-UHFFFAOYSA-N 2 0 289.423 1.986 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266020320 944635848 /nfs/dbraw/zinc/63/58/48/944635848.db2.gz GTQNLUGLDPACEE-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001266112298 944686573 /nfs/dbraw/zinc/68/65/73/944686573.db2.gz KPYDFONALCXRQO-IYBDPMFKSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001278087655 944732774 /nfs/dbraw/zinc/73/27/74/944732774.db2.gz IQUZBUKDLIJZIR-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001279288062 944791444 /nfs/dbraw/zinc/79/14/44/944791444.db2.gz JCFYGQGJRRXWIY-GPANFISMSA-N 2 0 293.455 1.709 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)CCC[NH2+]1 ZINC001261643675 946209484 /nfs/dbraw/zinc/20/94/84/946209484.db2.gz ASTZHPNRHKXCNN-GDBMZVCRSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001479528027 971337901 /nfs/dbraw/zinc/33/79/01/971337901.db2.gz YEYYVDVIHLEUQL-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC001279036244 948628406 /nfs/dbraw/zinc/62/84/06/948628406.db2.gz ZDGCHMCUHDUAPY-ZDUSSCGKSA-N 2 0 267.417 1.080 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001479968263 971515726 /nfs/dbraw/zinc/51/57/26/971515726.db2.gz DITQQDQKIQHCTL-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001480228075 971637893 /nfs/dbraw/zinc/63/78/93/971637893.db2.gz SKAFTWFMDHJGGQ-QXSJWSMHSA-N 2 0 289.423 1.263 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480486732 971752025 /nfs/dbraw/zinc/75/20/25/971752025.db2.gz OMVGGRSTLHSMFP-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001324648082 953496008 /nfs/dbraw/zinc/49/60/08/953496008.db2.gz SJWHXBHZSOGBHB-HOCLYGCPSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001324674888 953511626 /nfs/dbraw/zinc/51/16/26/953511626.db2.gz RUNCYNQDGDJPNI-OAHLLOKOSA-N 2 0 265.401 1.239 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569153298 1169695646 /nfs/dbraw/zinc/69/56/46/1169695646.db2.gz RUCJXDPEXCOXDC-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317176737 955291693 /nfs/dbraw/zinc/29/16/93/955291693.db2.gz DMTGLQGFKBHEJF-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001328441540 955296552 /nfs/dbraw/zinc/29/65/52/955296552.db2.gz VSPXKIVQLHFWCZ-STQMWFEESA-N 2 0 255.406 1.243 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493724343 972106260 /nfs/dbraw/zinc/10/62/60/972106260.db2.gz BGMIQWLDPDTKRT-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493724348 972106380 /nfs/dbraw/zinc/10/63/80/972106380.db2.gz BGMIQWLDPDTKRT-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001492176351 955667990 /nfs/dbraw/zinc/66/79/90/955667990.db2.gz XGZXMKKORPDWBX-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001421992988 955690126 /nfs/dbraw/zinc/69/01/26/955690126.db2.gz NDNCAQUXZKZYEE-CHWSQXEVSA-N 2 0 287.835 1.517 10 30 CDEERP C=CC[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001492359049 955828641 /nfs/dbraw/zinc/82/86/41/955828641.db2.gz NUFMSMQBXPWEBO-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C[C@H](C#N)OCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001422442981 956007963 /nfs/dbraw/zinc/00/79/63/956007963.db2.gz RTOWHPHMWTZPIE-OAHLLOKOSA-N 2 0 295.427 1.228 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001330001961 956230003 /nfs/dbraw/zinc/23/00/03/956230003.db2.gz ZBAHKNWQHWLZST-AWEZNQCLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001330054435 956253863 /nfs/dbraw/zinc/25/38/63/956253863.db2.gz OUDQTRIDRAXGBS-CYBMUJFWSA-N 2 0 281.444 1.587 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001569232290 1169730247 /nfs/dbraw/zinc/73/02/47/1169730247.db2.gz RDPIGHVSGVQXQC-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001494078196 972172788 /nfs/dbraw/zinc/17/27/88/972172788.db2.gz GZKLBJSAIIMDDM-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001480727146 956646566 /nfs/dbraw/zinc/64/65/66/956646566.db2.gz QMANETAAXXJDHN-HUUCEWRRSA-N 2 0 299.434 1.775 10 30 CDEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001316773552 957008021 /nfs/dbraw/zinc/00/80/21/957008021.db2.gz WNQKVFXDXFZTKI-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001331473451 957087645 /nfs/dbraw/zinc/08/76/45/957087645.db2.gz FRTMNISUPKNCRP-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001316915635 957122148 /nfs/dbraw/zinc/12/21/48/957122148.db2.gz VZMNLYZUUGSIKY-INIZCTEOSA-N 2 0 291.439 1.485 10 30 CDEERP C#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317206056 957344388 /nfs/dbraw/zinc/34/43/88/957344388.db2.gz RANQLDRWCNGLAO-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317382670 957444386 /nfs/dbraw/zinc/44/43/86/957444386.db2.gz ZSTBJKDXTKPTLC-OAHLLOKOSA-N 2 0 277.412 1.028 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001317600942 957592172 /nfs/dbraw/zinc/59/21/72/957592172.db2.gz OLMIYIGGWDLPKG-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH2+]C[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001318726478 958245669 /nfs/dbraw/zinc/24/56/69/958245669.db2.gz IMZXFUZJCMFLKS-MRXNPFEDSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]21 ZINC001320113818 958945195 /nfs/dbraw/zinc/94/51/95/958945195.db2.gz ZXSZELGFRRCRIA-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001320152301 958973676 /nfs/dbraw/zinc/97/36/76/958973676.db2.gz KICOYGVMGQGVDE-CABCVRRESA-N 2 0 293.455 1.779 10 30 CDEERP C=CCCC[NH2+]CCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320738485 959360133 /nfs/dbraw/zinc/36/01/33/959360133.db2.gz WUKAROCHYNRKQK-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001495236693 972454692 /nfs/dbraw/zinc/45/46/92/972454692.db2.gz YHPYUCLGPDRBAH-DOTOQJQBSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001321419331 959776889 /nfs/dbraw/zinc/77/68/89/959776889.db2.gz OVTLZHRWCWTMPA-LFAOLKIESA-N 2 0 279.428 1.699 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001321866198 959991915 /nfs/dbraw/zinc/99/19/15/959991915.db2.gz JPTZRZAGAGBGDY-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C#CCCN1CCC([NH2+]C[C@](O)(CC)C(F)(F)F)CC1 ZINC001335986522 960138126 /nfs/dbraw/zinc/13/81/26/960138126.db2.gz MDKUHZSKPWVPPL-CYBMUJFWSA-N 2 0 292.345 1.767 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(C)C)C1CC1 ZINC001323016033 960408573 /nfs/dbraw/zinc/40/85/73/960408573.db2.gz TXJFDZIZPZNSGC-HOTGVXAUSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001371618037 972568432 /nfs/dbraw/zinc/56/84/32/972568432.db2.gz QXUSDNHHCHAKEZ-JSGCOSHPSA-N 2 0 299.846 1.519 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001495671142 972586812 /nfs/dbraw/zinc/58/68/12/972586812.db2.gz YVFNIPLTNSJKAO-SOUVJXGZSA-N 2 0 281.444 1.635 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001496277801 972869829 /nfs/dbraw/zinc/86/98/29/972869829.db2.gz CNTTVRWHVYAYIN-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497305486 973281996 /nfs/dbraw/zinc/28/19/96/973281996.db2.gz YHZMMFSCYKSPPQ-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001497615420 973436613 /nfs/dbraw/zinc/43/66/13/973436613.db2.gz MLRUEBMQXRLXOP-LMVHVUTASA-N 2 0 265.401 1.309 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001498132521 973701696 /nfs/dbraw/zinc/70/16/96/973701696.db2.gz OGHMFQBWLBNKNM-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001501135772 974540874 /nfs/dbraw/zinc/54/08/74/974540874.db2.gz MCBIZWFDELCQNX-LSDHHAIUSA-N 2 0 281.444 1.588 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001502398481 974734059 /nfs/dbraw/zinc/73/40/59/974734059.db2.gz BGWVWSVCVVVXTJ-UHFFFAOYSA-N 2 0 293.455 1.666 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001502513629 974745588 /nfs/dbraw/zinc/74/55/88/974745588.db2.gz SWJFVAZWZAYRDT-AWEZNQCLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001503421990 974820486 /nfs/dbraw/zinc/82/04/86/974820486.db2.gz SGBHJXCSFVASHQ-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001505736396 974977202 /nfs/dbraw/zinc/97/72/02/974977202.db2.gz SNOVWWVALVBORE-RYUDHWBXSA-N 2 0 275.824 1.564 10 30 CDEERP C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001505733261 974977505 /nfs/dbraw/zinc/97/75/05/974977505.db2.gz QSXJLDIXWQWTAN-KBPBESRZSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001505833664 974997676 /nfs/dbraw/zinc/99/76/76/974997676.db2.gz OENWLSSLBZSVFX-AWEZNQCLSA-N 2 0 281.444 1.588 10 30 CDEERP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001506650696 975196110 /nfs/dbraw/zinc/19/61/10/975196110.db2.gz AAZIRHRZAOGJND-HOCLYGCPSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001507326720 975417459 /nfs/dbraw/zinc/41/74/59/975417459.db2.gz WAFDTSOCWFEZCA-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001508039981 975584310 /nfs/dbraw/zinc/58/43/10/975584310.db2.gz VHBBPSVZSFZHAT-ZIAGYGMSSA-N 2 0 283.460 1.879 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001401866366 975958658 /nfs/dbraw/zinc/95/86/58/975958658.db2.gz JJJSIOMYJXZNNL-SMDDNHRTSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001398534032 976024832 /nfs/dbraw/zinc/02/48/32/976024832.db2.gz QLOXHBCGULVFJI-LBPRGKRZSA-N 2 0 273.808 1.270 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001674592344 1173966278 /nfs/dbraw/zinc/96/62/78/1173966278.db2.gz ISFAUQGBIPKWCQ-UHFFFAOYSA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001676754940 1174266892 /nfs/dbraw/zinc/26/68/92/1174266892.db2.gz HXRRDIMEOQGXPA-HUUCEWRRSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+]C1(CC)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001570261095 1170123340 /nfs/dbraw/zinc/12/33/40/1170123340.db2.gz XHMOVWJAUHNUBD-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001571492348 1170453585 /nfs/dbraw/zinc/45/35/85/1170453585.db2.gz CKVCZTPGHTUDCS-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594440646 342907031 /nfs/dbraw/zinc/90/70/31/342907031.db2.gz HICFTWLJYJANRR-HNNXBMFYSA-N 2 0 294.443 1.730 10 30 CDEERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441866 342907856 /nfs/dbraw/zinc/90/78/56/342907856.db2.gz XLPSIKODBBTZBY-UONOGXRCSA-N 2 0 280.416 1.388 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000594450045 342909500 /nfs/dbraw/zinc/90/95/00/342909500.db2.gz RKLMUWLHRLTGGY-AWEZNQCLSA-N 2 0 274.368 1.173 10 30 CDEERP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600719899 342244558 /nfs/dbraw/zinc/24/45/58/342244558.db2.gz FLUAYAORAJXLNA-GJZGRUSLSA-N 2 0 279.428 1.751 10 30 CDEERP N#Cc1ccc2c(c1)[C@H]([NH2+]CCOCCC[NH3+])CC2 ZINC000600710001 349875813 /nfs/dbraw/zinc/87/58/13/349875813.db2.gz MJWXBYIAAMAYJP-OAHLLOKOSA-N 2 0 259.353 1.501 10 30 CDEERP N#CCc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000563153630 359133031 /nfs/dbraw/zinc/13/30/31/359133031.db2.gz CMFSJNBGEJTCME-IAGOWNOFSA-N 2 0 285.391 1.609 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)c2oc(C[NH3+])cc2C)CC1 ZINC000638098626 368332462 /nfs/dbraw/zinc/33/24/62/368332462.db2.gz BZEHXLZJMBTSJU-UHFFFAOYSA-N 2 0 277.368 1.427 10 30 CDEERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000568632229 371228652 /nfs/dbraw/zinc/22/86/52/371228652.db2.gz MUXMRJRHODLRRJ-APHBMKBZSA-N 2 0 273.380 1.595 10 30 CDEERP C=CC[C@@H]1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000651750055 412806332 /nfs/dbraw/zinc/80/63/32/412806332.db2.gz UTNNBVACQTZXAT-CVEARBPZSA-N 2 0 265.445 1.958 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001662349525 1172534566 /nfs/dbraw/zinc/53/45/66/1172534566.db2.gz DBYLMVZUUDHUHL-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001662512192 1172556262 /nfs/dbraw/zinc/55/62/62/1172556262.db2.gz KYQUVFJJCBUXFK-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]CCc1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001662814196 1172595904 /nfs/dbraw/zinc/59/59/04/1172595904.db2.gz NOXHQBSRVSZRTA-UHFFFAOYSA-N 2 0 287.407 1.020 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001663201339 1172656141 /nfs/dbraw/zinc/65/61/41/1172656141.db2.gz PXWQQGWCBCJTFR-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353619838 391398427 /nfs/dbraw/zinc/39/84/27/391398427.db2.gz JDSVUPHDWFTOLH-YJNKXOJESA-N 2 0 252.402 1.633 10 30 CDEERP C=CCC[N@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001663612569 1172734007 /nfs/dbraw/zinc/73/40/07/1172734007.db2.gz HTNSSXKTABLVCJ-CQSZACIVSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662678572 413295651 /nfs/dbraw/zinc/29/56/51/413295651.db2.gz GISVFWPBHKVBBJ-INIZCTEOSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000662691268 413322373 /nfs/dbraw/zinc/32/23/73/413322373.db2.gz IPTGKPWKVBQEGP-WBVHZDCISA-N 2 0 291.439 1.772 10 30 CDEERP C=CC[C@]1(C(=O)NCC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662700821 413343589 /nfs/dbraw/zinc/34/35/89/413343589.db2.gz LOIGJSUSXREMMA-OAHLLOKOSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@H](C[NH+](CC)CC)C2)CCC[NH2+]1 ZINC000662747525 413421930 /nfs/dbraw/zinc/42/19/30/413421930.db2.gz WTONAGWDMZFTBJ-WBVHZDCISA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC000662777534 413480416 /nfs/dbraw/zinc/48/04/16/413480416.db2.gz GTIUUPWRIWMUMX-JKSUJKDBSA-N 2 0 277.412 1.287 10 30 CDEERP C=CCCOCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657419775 414306788 /nfs/dbraw/zinc/30/67/88/414306788.db2.gz WYALUPJNWYIXAB-UHFFFAOYSA-N 2 0 272.352 1.950 10 30 CDEERP [NH3+]CC#Cc1ccsc1C[N@H+](CCO)C1CCCC1 ZINC000043684174 175092686 /nfs/dbraw/zinc/09/26/86/175092686.db2.gz ADMQBESQAWVSRC-UHFFFAOYSA-N 2 0 278.421 1.795 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001666000335 1173099926 /nfs/dbraw/zinc/09/99/26/1173099926.db2.gz NUMOKEJPFBIWSX-DOTOQJQBSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001666031616 1173102518 /nfs/dbraw/zinc/10/25/18/1173102518.db2.gz DYEOBTNJOWFPLY-GDBMZVCRSA-N 2 0 279.428 1.224 10 30 CDEERP O=C(NCC1CC[NH+](CCO)CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330336190 228155379 /nfs/dbraw/zinc/15/53/79/228155379.db2.gz ZHZDOTKMXKCHHC-OAHLLOKOSA-N 2 0 295.427 1.274 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417543105 264436439 /nfs/dbraw/zinc/43/64/39/264436439.db2.gz UHSPJSLBUYWCPW-UKRRQHHQSA-N 2 0 294.443 1.324 10 30 CDEERP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001667426488 1173265395 /nfs/dbraw/zinc/26/53/95/1173265395.db2.gz ONCHNKSDJFIXCH-INIZCTEOSA-N 2 0 293.455 1.520 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001673470807 1173860970 /nfs/dbraw/zinc/86/09/70/1173860970.db2.gz AVVPCDLLUGLCIB-UHFFFAOYSA-N 2 0 295.471 1.768 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)Cn2ccnc2C)CC1 ZINC001673997046 1173904952 /nfs/dbraw/zinc/90/49/52/1173904952.db2.gz ITUMPIZDDZNASJ-UHFFFAOYSA-N 2 0 290.411 1.738 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001671369106 1159154679 /nfs/dbraw/zinc/15/46/79/1159154679.db2.gz QGIFTHSWZZELDS-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262454753 330014246 /nfs/dbraw/zinc/01/42/46/330014246.db2.gz KUQMDBZUNKOAMG-KBPBESRZSA-N 2 0 282.432 1.142 10 30 CDEERP C[C@@H]1C[NH+]=C(NCc2ccc(C[NH+](C)C)c(F)c2)N1 ZINC000262680708 330026572 /nfs/dbraw/zinc/02/65/72/330026572.db2.gz WAGRVVPCGBYGNQ-SNVBAGLBSA-N 2 0 264.348 1.325 10 30 CDEERP CC[NH+]=C(NC1CCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262775445 330030540 /nfs/dbraw/zinc/03/05/40/330030540.db2.gz JDGZOGQIBMPGKH-AWEZNQCLSA-N 2 0 278.444 1.922 10 30 CDEERP CCC[NH+]1CCC(NC(N[C@@H]2CC2(C)C)=[NH+]C)CC1 ZINC000263118111 330044539 /nfs/dbraw/zinc/04/45/39/330044539.db2.gz GGRZOYUVAMOOGV-CYBMUJFWSA-N 2 0 266.433 1.824 10 30 CDEERP C=CCOc1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1Cl ZINC000263288530 330051813 /nfs/dbraw/zinc/05/18/13/330051813.db2.gz VKJXHNHRTGXOHQ-JSGCOSHPSA-N 2 0 296.798 1.575 10 30 CDEERP C=C[C@@H](C)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422986688 330162945 /nfs/dbraw/zinc/16/29/45/330162945.db2.gz DFFIRGGKZKYIMA-NEPJUHHUSA-N 2 0 254.374 1.472 10 30 CDEERP C#CC[NH+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267536721 1159444362 /nfs/dbraw/zinc/44/43/62/1159444362.db2.gz ZDODLXPMMCGVFL-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001699440879 1159643169 /nfs/dbraw/zinc/64/31/69/1159643169.db2.gz HSOFFROPCRWHFY-GJZGRUSLSA-N 2 0 279.428 1.319 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001270737329 1160143398 /nfs/dbraw/zinc/14/33/98/1160143398.db2.gz KKFPAEGDZBUJHF-RDJZCZTQSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@@H+](C)CCN(C(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001700976370 1177221782 /nfs/dbraw/zinc/22/17/82/1177221782.db2.gz QWMAQHGBYIDIBF-OAHLLOKOSA-N 2 0 281.444 1.683 10 30 CDEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001691629965 1160774879 /nfs/dbraw/zinc/77/48/79/1160774879.db2.gz ZMODHVBINZTXPU-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001713310575 1178489166 /nfs/dbraw/zinc/48/91/66/1178489166.db2.gz XJXXUTGMCUIPOO-ZIAGYGMSSA-N 2 0 267.417 1.530 10 30 CDEERP C[NH+](C)C1CCN(Cc2cccc(C#CC[NH3+])c2)CC1 ZINC000049609198 524040331 /nfs/dbraw/zinc/04/03/31/524040331.db2.gz RWAHZIPUYUPWJF-UHFFFAOYSA-N 2 0 271.408 1.523 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505686680 974963669 /nfs/dbraw/zinc/96/36/69/974963669.db2.gz SRBYMBXFBVFVET-OLZOCXBDSA-N 2 0 255.406 1.387 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000049608323 527148671 /nfs/dbraw/zinc/14/86/71/527148671.db2.gz AQXIOJSOIGUUDP-MRXNPFEDSA-N 2 0 258.365 1.201 10 30 CDEERP [NH3+]CC#Cc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000049575933 527149012 /nfs/dbraw/zinc/14/90/12/527149012.db2.gz LHQJYWSDLFVTEI-UHFFFAOYSA-N 2 0 285.391 1.213 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001688946283 1175074574 /nfs/dbraw/zinc/07/45/74/1175074574.db2.gz VYJMKKMYSDDKBZ-BZUAXINKSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001690198005 1175400731 /nfs/dbraw/zinc/40/07/31/1175400731.db2.gz ZIUWAXOUFVLDGV-HOTGVXAUSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940618162 613328412 /nfs/dbraw/zinc/32/84/12/613328412.db2.gz PHUBXVZYZROFDG-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940617288 613522439 /nfs/dbraw/zinc/52/24/39/613522439.db2.gz IFPPBUKEQKKOAP-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941221621 613537329 /nfs/dbraw/zinc/53/73/29/613537329.db2.gz YXJGOJLJZIENRC-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000925609505 617553660 /nfs/dbraw/zinc/55/36/60/617553660.db2.gz UWMAFHXJGLKIFI-JSGCOSHPSA-N 2 0 264.417 1.470 10 30 CDEERP CC(C)CCNC(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C ZINC000104168115 617985747 /nfs/dbraw/zinc/98/57/47/617985747.db2.gz RKWVGNABJJRMFV-ZDUSSCGKSA-N 2 0 254.422 1.811 10 30 CDEERP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923363224 618322420 /nfs/dbraw/zinc/32/24/20/618322420.db2.gz AMKLQQQZIZGRFV-SOUVJXGZSA-N 2 0 252.402 1.778 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000900216888 622809687 /nfs/dbraw/zinc/80/96/87/622809687.db2.gz YONCXXBGLZSICW-ZIAGYGMSSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000900520256 623183569 /nfs/dbraw/zinc/18/35/69/623183569.db2.gz QBDUNQHHVMOYTR-AWEZNQCLSA-N 2 0 265.401 1.191 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000901273448 624059908 /nfs/dbraw/zinc/05/99/08/624059908.db2.gz WVORLCDRWYKGTK-UONOGXRCSA-N 2 0 267.417 1.435 10 30 CDEERP CCO[C@@H]1C[N@H+](CC2CCC(C#N)CC2)C[C@H]1C[NH3+] ZINC000903460609 625995231 /nfs/dbraw/zinc/99/52/31/625995231.db2.gz FNLGNBPMPMNWDW-NEXFUWMNSA-N 2 0 265.401 1.612 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000907615500 627762063 /nfs/dbraw/zinc/76/20/63/627762063.db2.gz YACOBJQCSDZBQV-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC000907928332 627909238 /nfs/dbraw/zinc/90/92/38/627909238.db2.gz CAJZUBREARTSIB-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000908150371 628032338 /nfs/dbraw/zinc/03/23/38/628032338.db2.gz YTEXCGCEBBBOTL-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000909878789 628725309 /nfs/dbraw/zinc/72/53/09/628725309.db2.gz MZASHUWCAYDOEQ-UHFFFAOYSA-N 2 0 272.352 1.458 10 30 CDEERP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000157363943 630595643 /nfs/dbraw/zinc/59/56/43/630595643.db2.gz RFTJSALRZUGQHL-CABCVRRESA-N 2 0 296.459 1.438 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001724586383 1158579078 /nfs/dbraw/zinc/57/90/78/1158579078.db2.gz GIIWHKLKRZCNIS-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001699933688 1158848407 /nfs/dbraw/zinc/84/84/07/1158848407.db2.gz JABRUKXJIGCTHP-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001691097712 1158907626 /nfs/dbraw/zinc/90/76/26/1158907626.db2.gz QTKCNKWJNNETKN-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001700195945 1158934497 /nfs/dbraw/zinc/93/44/97/1158934497.db2.gz OVAKJEDZQDFSGM-HNNXBMFYSA-N 2 0 279.428 1.295 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001670489866 1158618981 /nfs/dbraw/zinc/61/89/81/1158618981.db2.gz CVKNVELBXPITTJ-OAHLLOKOSA-N 2 0 289.423 1.123 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001670904171 1161348315 /nfs/dbraw/zinc/34/83/15/1161348315.db2.gz YRCGCSNZQSDILF-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001567016758 1168511680 /nfs/dbraw/zinc/51/16/80/1168511680.db2.gz MFIVJGLECSUOPS-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567400935 1168734679 /nfs/dbraw/zinc/73/46/79/1168734679.db2.gz WQECTKIPSGYJJA-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCC1 ZINC001568245737 1169196157 /nfs/dbraw/zinc/19/61/57/1169196157.db2.gz GXJCSGOEARTFNJ-INIZCTEOSA-N 2 0 291.439 1.677 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001568308782 1169238151 /nfs/dbraw/zinc/23/81/51/1169238151.db2.gz HKMNJIQCVIKTNU-CQSZACIVSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001568458724 1169298373 /nfs/dbraw/zinc/29/83/73/1169298373.db2.gz CBOQTZLILZOESY-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001568651894 1169415572 /nfs/dbraw/zinc/41/55/72/1169415572.db2.gz ZWMHEHYGTIUUCP-GFCCVEGCSA-N 2 0 286.379 1.927 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001671246876 1169453020 /nfs/dbraw/zinc/45/30/20/1169453020.db2.gz YPACZGCATJOILX-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001568952139 1169560674 /nfs/dbraw/zinc/56/06/74/1169560674.db2.gz ZSEYOQRKLJEDQT-KTRBRXNASA-N 2 0 287.835 1.587 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001569554154 1169921036 /nfs/dbraw/zinc/92/10/36/1169921036.db2.gz IQFRRWDPMZJULW-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001571689082 1170525263 /nfs/dbraw/zinc/52/52/63/1170525263.db2.gz JXEXYJUJCJOBHK-INIZCTEOSA-N 2 0 293.455 1.897 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001668062064 1173365578 /nfs/dbraw/zinc/36/55/78/1173365578.db2.gz ZBLRLXCDJNUCRN-UONOGXRCSA-N 2 0 267.417 1.530 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001671805561 1173713448 /nfs/dbraw/zinc/71/34/48/1173713448.db2.gz ULEVGLWJEAFCKL-MRXNPFEDSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001676817442 1174277063 /nfs/dbraw/zinc/27/70/63/1174277063.db2.gz YHPJZTKPYATLRX-GDBMZVCRSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001690342059 1175443110 /nfs/dbraw/zinc/44/31/10/1175443110.db2.gz YLLCVAADXWHEOA-AEGPPILISA-N 2 0 290.411 1.934 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001692005482 1175665351 /nfs/dbraw/zinc/66/53/51/1175665351.db2.gz ZAVFHRNQIUHEAK-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001692104499 1175676579 /nfs/dbraw/zinc/67/65/79/1175676579.db2.gz OERPMKDYZSBUKC-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001692202604 1175699334 /nfs/dbraw/zinc/69/93/34/1175699334.db2.gz LWOMBIKQXWRWRT-KGLIPLIRSA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCC=C)CC1 ZINC001698860511 1175968132 /nfs/dbraw/zinc/96/81/32/1175968132.db2.gz JURUPLDERGUAMV-OAHLLOKOSA-N 2 0 291.439 1.344 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001698893119 1175978995 /nfs/dbraw/zinc/97/89/95/1175978995.db2.gz QFYFTQVVFHFNHZ-KGLIPLIRSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001699018557 1176044149 /nfs/dbraw/zinc/04/41/49/1176044149.db2.gz KLBPKADUXULZKX-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001699346127 1176277125 /nfs/dbraw/zinc/27/71/25/1176277125.db2.gz TYOGLEOBBPMLMJ-HLMASZERSA-N 2 0 265.401 1.307 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699345814 1176279009 /nfs/dbraw/zinc/27/90/09/1176279009.db2.gz QNZVYUSFHYXXAZ-FYCOFBDGSA-N 2 0 291.439 1.392 10 30 CDEERP C=CCC[NH+]1CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001699637691 1176533942 /nfs/dbraw/zinc/53/39/42/1176533942.db2.gz TYNRWSOKBFLPEC-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001699740381 1176598688 /nfs/dbraw/zinc/59/86/88/1176598688.db2.gz QJULNMMCILWDID-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001699741501 1176600294 /nfs/dbraw/zinc/60/02/94/1176600294.db2.gz UZVGCHKQOWFJJB-GJZGRUSLSA-N 2 0 289.423 1.075 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCC1 ZINC001700133328 1176763532 /nfs/dbraw/zinc/76/35/32/1176763532.db2.gz OHKJMMNSOWLBTP-UHFFFAOYSA-N 2 0 291.439 1.819 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001700323821 1176851115 /nfs/dbraw/zinc/85/11/15/1176851115.db2.gz NGWVJQSOGCPNLK-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001700364161 1176874892 /nfs/dbraw/zinc/87/48/92/1176874892.db2.gz OYQHRNLJNODZDC-HNNXBMFYSA-N 2 0 291.439 1.581 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001700779821 1177130085 /nfs/dbraw/zinc/13/00/85/1177130085.db2.gz GGQDXQWUNMTYTM-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001700870113 1177171196 /nfs/dbraw/zinc/17/11/96/1177171196.db2.gz YRTFROOLSJQZKV-NVXWUHKLSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C ZINC001700998115 1177230842 /nfs/dbraw/zinc/23/08/42/1177230842.db2.gz KWOJLWXPWOWTRU-CQSZACIVSA-N 2 0 281.444 1.472 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001701029309 1177244973 /nfs/dbraw/zinc/24/49/73/1177244973.db2.gz IGUQXMGCUSNAGQ-HSBZDZAISA-N 2 0 265.401 1.093 10 30 CDEERP C#CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001707064635 1177935818 /nfs/dbraw/zinc/93/58/18/1177935818.db2.gz YOJDLUVXWHGLNM-HZPDHXFCSA-N 2 0 291.439 1.273 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001707090722 1177949698 /nfs/dbraw/zinc/94/96/98/1177949698.db2.gz KIPNPRLWPLOKNB-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001713125330 1178383250 /nfs/dbraw/zinc/38/32/50/1178383250.db2.gz PYUFQWGIVVPTIT-QGZVFWFLSA-N 2 0 299.418 1.479 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001713149439 1178394813 /nfs/dbraw/zinc/39/48/13/1178394813.db2.gz AKGOJFYLWOPERL-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001713221988 1178441243 /nfs/dbraw/zinc/44/12/43/1178441243.db2.gz UXNHOPXNWCRMLP-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001713245874 1178450871 /nfs/dbraw/zinc/45/08/71/1178450871.db2.gz JNGPQMGRUYZLKB-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713353688 1178516970 /nfs/dbraw/zinc/51/69/70/1178516970.db2.gz WKIAMUMKETZSOL-CQSZACIVSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001713549782 1178639767 /nfs/dbraw/zinc/63/97/67/1178639767.db2.gz CVFFKGGUFUCUMD-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001713679431 1178706404 /nfs/dbraw/zinc/70/64/04/1178706404.db2.gz QGFBEGXBVMSHPA-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001713755656 1178739302 /nfs/dbraw/zinc/73/93/02/1178739302.db2.gz FUIFMDSMUBMXMO-HZPDHXFCSA-N 2 0 293.455 1.685 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001714048703 1178946062 /nfs/dbraw/zinc/94/60/62/1178946062.db2.gz JJNLPMUPOKKURA-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001714129723 1178986714 /nfs/dbraw/zinc/98/67/14/1178986714.db2.gz CCOOWJXTSMXZIK-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714610942 1179265837 /nfs/dbraw/zinc/26/58/37/1179265837.db2.gz VBQZEWMZVHBNRV-UKRRQHHQSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001714737250 1179367151 /nfs/dbraw/zinc/36/71/51/1179367151.db2.gz XAXJOOOVXRVPPE-UHFFFAOYSA-N 2 0 299.378 1.505 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001714899280 1179444085 /nfs/dbraw/zinc/44/40/85/1179444085.db2.gz NRIORMIUNPQJRB-JKSUJKDBSA-N 2 0 291.439 1.132 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001715305491 1179617087 /nfs/dbraw/zinc/61/70/87/1179617087.db2.gz UFVIVDZJQBOWBI-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)CCC ZINC001715372246 1179646908 /nfs/dbraw/zinc/64/69/08/1179646908.db2.gz NVLUKTFUGMWDFP-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC(=C)C)CC1 ZINC001715378094 1179649521 /nfs/dbraw/zinc/64/95/21/1179649521.db2.gz PASTZKBVCYCXDQ-OAHLLOKOSA-N 2 0 291.439 1.344 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001715870490 1179884519 /nfs/dbraw/zinc/88/45/19/1179884519.db2.gz VAWCOSAXTMASKR-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715982533 1179961886 /nfs/dbraw/zinc/96/18/86/1179961886.db2.gz GUCYGJOEQRUAEC-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001716041886 1180017508 /nfs/dbraw/zinc/01/75/08/1180017508.db2.gz VWTSLLZWUBLRCX-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001716218172 1180108079 /nfs/dbraw/zinc/10/80/79/1180108079.db2.gz WVRGLCIALKGDHU-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001716255459 1180121509 /nfs/dbraw/zinc/12/15/09/1180121509.db2.gz SHDXQZNSBHBIDV-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716401475 1180187403 /nfs/dbraw/zinc/18/74/03/1180187403.db2.gz FJDSSHGRWKZYLH-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001716513704 1180263246 /nfs/dbraw/zinc/26/32/46/1180263246.db2.gz GMTJQRLGMQLMED-GOEBONIOSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001717354715 1180626755 /nfs/dbraw/zinc/62/67/55/1180626755.db2.gz LCQKLZFWEAEYGX-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717479506 1180698409 /nfs/dbraw/zinc/69/84/09/1180698409.db2.gz QJEDNEAYEJABQB-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001717490517 1180705173 /nfs/dbraw/zinc/70/51/73/1180705173.db2.gz OQKZGDJFWLHBQU-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001717529277 1180723173 /nfs/dbraw/zinc/72/31/73/1180723173.db2.gz RADHVOVAULHNID-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001717741490 1180820680 /nfs/dbraw/zinc/82/06/80/1180820680.db2.gz SITXALBVEWZONC-CQSZACIVSA-N 2 0 283.460 1.977 10 30 CDEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001717751687 1180829239 /nfs/dbraw/zinc/82/92/39/1180829239.db2.gz ZSSVLAVZWDLPJA-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+]1CCC(C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001724013886 1181630130 /nfs/dbraw/zinc/63/01/30/1181630130.db2.gz GNKNXKVIFDBFSF-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725010989 1181823619 /nfs/dbraw/zinc/82/36/19/1181823619.db2.gz CXXUFNUBSGLOIP-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001725512544 1182031288 /nfs/dbraw/zinc/03/12/88/1182031288.db2.gz WQILDEYVZDAMIQ-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001725599027 1182069133 /nfs/dbraw/zinc/06/91/33/1182069133.db2.gz UKBPZTZPMABPTO-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001725612531 1182072406 /nfs/dbraw/zinc/07/24/06/1182072406.db2.gz XWJQSYGLVGJBLZ-YOEHRIQHSA-N 2 0 291.439 1.627 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001725677764 1182094930 /nfs/dbraw/zinc/09/49/30/1182094930.db2.gz ROPONBQSXQEEBY-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001731397675 1182359435 /nfs/dbraw/zinc/35/94/35/1182359435.db2.gz URRIAVNHWSIIHE-KGLIPLIRSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001731412825 1182372547 /nfs/dbraw/zinc/37/25/47/1182372547.db2.gz JBPRRLUJYSLERU-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001731479169 1182410651 /nfs/dbraw/zinc/41/06/51/1182410651.db2.gz NKWBPJNAQAAHEM-XUWVNRHRSA-N 2 0 289.423 1.263 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001731660671 1182506709 /nfs/dbraw/zinc/50/67/09/1182506709.db2.gz UIYSMIZTDJPNIL-GOEBONIOSA-N 2 0 291.439 1.342 10 30 CDEERP C=CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001731876267 1182646153 /nfs/dbraw/zinc/64/61/53/1182646153.db2.gz GKPUOQBBDNWBSE-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001732570205 1183014031 /nfs/dbraw/zinc/01/40/31/1183014031.db2.gz JXSMLXUGOLFUPY-CABCVRRESA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001733524817 1183456590 /nfs/dbraw/zinc/45/65/90/1183456590.db2.gz AATGGTSGRGTGIQ-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733970676 1183594275 /nfs/dbraw/zinc/59/42/75/1183594275.db2.gz HZOKCZUCDMLZIX-CABCVRRESA-N 2 0 293.455 1.757 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001734061245 1183642295 /nfs/dbraw/zinc/64/22/95/1183642295.db2.gz YMMSRHBKPLWHIQ-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001734067433 1183645798 /nfs/dbraw/zinc/64/57/98/1183645798.db2.gz ZKANCQSMUATLAQ-CYBMUJFWSA-N 2 0 255.406 1.339 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001734090167 1183653558 /nfs/dbraw/zinc/65/35/58/1183653558.db2.gz PNPHWSVRFJOALI-UHFFFAOYSA-N 2 0 281.444 1.923 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001734095401 1183656356 /nfs/dbraw/zinc/65/63/56/1183656356.db2.gz ZCVMBQFATLSWPN-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001734326588 1183733156 /nfs/dbraw/zinc/73/31/56/1183733156.db2.gz MQPFDYXSUYMAIW-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001734571365 1183830263 /nfs/dbraw/zinc/83/02/63/1183830263.db2.gz UIWLQKBTDWVDNQ-AWEZNQCLSA-N 2 0 281.444 1.472 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000876729336 745046720 /nfs/dbraw/zinc/04/67/20/745046720.db2.gz KMTCAKUYQWNCNF-OLZOCXBDSA-N 2 0 285.819 1.543 10 30 CDEERP C[NH+](C)[C@@H](CNC(=[NH2+])NCCc1cccs1)C1CC1 ZINC000303905232 745278276 /nfs/dbraw/zinc/27/82/76/745278276.db2.gz ZGLMINNBTOUUFJ-ZDUSSCGKSA-N 2 0 280.441 1.535 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000876982046 745414569 /nfs/dbraw/zinc/41/45/69/745414569.db2.gz UMKZTWHMWMQBBH-AWEZNQCLSA-N 2 0 299.846 1.695 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000818347609 745604818 /nfs/dbraw/zinc/60/48/18/745604818.db2.gz SSAVBUGAJDGSCA-MNFFZHCASA-N 2 0 250.386 1.792 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000876787328 745673055 /nfs/dbraw/zinc/67/30/55/745673055.db2.gz GYXSMRXTEDJBNX-AYLPWXGPSA-N 2 0 271.792 1.198 10 30 CDEERP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000303989032 745822914 /nfs/dbraw/zinc/82/29/14/745822914.db2.gz XHJZJLSRDFEVKI-AWEZNQCLSA-N 2 0 282.432 1.144 10 30 CDEERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(C#N)c1 ZINC000924638973 745866505 /nfs/dbraw/zinc/86/65/05/745866505.db2.gz HUAQRMUCRLLNGC-XYPWUTKMSA-N 2 0 255.365 1.988 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCSC(C)(C)C1 ZINC000261954965 745913070 /nfs/dbraw/zinc/91/30/70/745913070.db2.gz OMLHCOVWBKYXPH-ZDUSSCGKSA-N 2 0 298.500 1.874 10 30 CDEERP C=CC[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923386738 746053938 /nfs/dbraw/zinc/05/39/38/746053938.db2.gz RDLWOCOXPABSEJ-UONOGXRCSA-N 2 0 250.386 1.653 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000876970341 746130322 /nfs/dbraw/zinc/13/03/22/746130322.db2.gz PCCUTCMTSXYVKC-QWHCGFSZSA-N 2 0 287.835 1.693 10 30 CDEERP C#CC[N@H+](C)CCCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000858421043 746593846 /nfs/dbraw/zinc/59/38/46/746593846.db2.gz LREUZVODTWEBEO-AWEZNQCLSA-N 2 0 251.418 1.404 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000876728250 747067721 /nfs/dbraw/zinc/06/77/21/747067721.db2.gz ZAUMIELEDJPYBU-UTUOFQBUSA-N 2 0 271.792 1.199 10 30 CDEERP C(=[NH+]n1cccn1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000863164450 747812124 /nfs/dbraw/zinc/81/21/24/747812124.db2.gz KPEKXCVLARFAHU-UHFFFAOYSA-N 2 0 276.384 2.000 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001691720315 1166548631 /nfs/dbraw/zinc/54/86/31/1166548631.db2.gz XGTYLMBULJOQNJ-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001569151522 1167552309 /nfs/dbraw/zinc/55/23/09/1167552309.db2.gz JHGGNYASGPQHRG-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001502754781 1167775282 /nfs/dbraw/zinc/77/52/82/1167775282.db2.gz XBYVDUMMCIMNQQ-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568274605 1168101177 /nfs/dbraw/zinc/10/11/77/1168101177.db2.gz XSXUECJUZWKIKI-QLFBSQMISA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001566124787 1168243867 /nfs/dbraw/zinc/24/38/67/1168243867.db2.gz IOEBPQOTIPPAPM-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001566903416 1168461247 /nfs/dbraw/zinc/46/12/47/1168461247.db2.gz NXNBTNTXUUXORS-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001566987445 1168488069 /nfs/dbraw/zinc/48/80/69/1168488069.db2.gz GBMVEMLHMZTRED-UHFFFAOYSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)CCc1nccn1C ZINC001483668236 912443915 /nfs/dbraw/zinc/44/39/15/912443915.db2.gz TXTUMONPAPATFL-CQSZACIVSA-N 2 0 290.411 1.509 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001567141066 1168593804 /nfs/dbraw/zinc/59/38/04/1168593804.db2.gz UQZPOWHJFXWLLB-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001272458445 913147160 /nfs/dbraw/zinc/14/71/60/913147160.db2.gz YHJWRUJAMGCMAQ-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001567402168 1168735998 /nfs/dbraw/zinc/73/59/98/1168735998.db2.gz DDSSTPSLJOREPZ-GJZGRUSLSA-N 2 0 297.418 1.128 10 30 CDEERP C=CCC[NH+]1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001483887322 915180370 /nfs/dbraw/zinc/18/03/70/915180370.db2.gz BWWKBWKGHYVBOU-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)CCCC[NH+](C)C)CC1 ZINC001266381053 894635423 /nfs/dbraw/zinc/63/54/23/894635423.db2.gz WZQYZBUEWFFSEN-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001266693464 895846205 /nfs/dbraw/zinc/84/62/05/895846205.db2.gz ZZAVKVHSICTANJ-XUWVNRHRSA-N 2 0 289.423 1.263 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001266898023 896299463 /nfs/dbraw/zinc/29/94/63/896299463.db2.gz WUHKSEJEGVRFET-UHFFFAOYSA-N 2 0 289.423 1.986 10 30 CDEERP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001267173639 897004441 /nfs/dbraw/zinc/00/44/41/897004441.db2.gz BIHRXMBRSSNYRE-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001480923154 897080391 /nfs/dbraw/zinc/08/03/91/897080391.db2.gz MVMXLDJFPKLODW-KBPBESRZSA-N 2 0 265.401 1.237 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001267255868 897352076 /nfs/dbraw/zinc/35/20/76/897352076.db2.gz GTIKMBYXLFUWCV-UHFFFAOYSA-N 2 0 293.455 1.714 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001272617006 914180432 /nfs/dbraw/zinc/18/04/32/914180432.db2.gz RRZZQJXRMDBADU-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)CCC)C1 ZINC001267489365 898144194 /nfs/dbraw/zinc/14/41/94/898144194.db2.gz YIEDQFGFQUQXAA-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001480974544 898416073 /nfs/dbraw/zinc/41/60/73/898416073.db2.gz NNWIODQIYABZIS-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267600164 898691956 /nfs/dbraw/zinc/69/19/56/898691956.db2.gz CIIZFKKBIAEOEJ-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267962642 900089453 /nfs/dbraw/zinc/08/94/53/900089453.db2.gz SIFFJBRBWZGXQE-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001481438198 900666988 /nfs/dbraw/zinc/66/69/88/900666988.db2.gz MEUSOLACTPLNRY-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001481502652 900947005 /nfs/dbraw/zinc/94/70/05/900947005.db2.gz BYGQBVMAUQMIBM-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001567738112 1168941291 /nfs/dbraw/zinc/94/12/91/1168941291.db2.gz MJSIVVWCQVFZLV-OAHLLOKOSA-N 2 0 293.455 1.378 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001268211984 901580430 /nfs/dbraw/zinc/58/04/30/901580430.db2.gz JQTMRXAFIJQMMQ-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001268290110 901759030 /nfs/dbraw/zinc/75/90/30/901759030.db2.gz XYBGFICUDMYOJG-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1 ZINC001268453838 902118682 /nfs/dbraw/zinc/11/86/82/902118682.db2.gz NKVMTBJCTQQHLM-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001482108786 902655143 /nfs/dbraw/zinc/65/51/43/902655143.db2.gz WXQCOFVMUFGSCB-GDBMZVCRSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268689236 902971690 /nfs/dbraw/zinc/97/16/90/902971690.db2.gz SWDRDXYQXVQZJS-LSDHHAIUSA-N 2 0 281.444 1.920 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269187821 903526441 /nfs/dbraw/zinc/52/64/41/903526441.db2.gz XMPLSGCUPFQGEX-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001269269054 903632187 /nfs/dbraw/zinc/63/21/87/903632187.db2.gz RYKMYTRVQMEASB-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001269268252 903632349 /nfs/dbraw/zinc/63/23/49/903632349.db2.gz JZPKLRPTDDQRFF-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001269474270 903841976 /nfs/dbraw/zinc/84/19/76/903841976.db2.gz CETNYDKVXZGXON-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001269588712 903954157 /nfs/dbraw/zinc/95/41/57/903954157.db2.gz UHJNWUOQCZNTGV-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001269736945 904074989 /nfs/dbraw/zinc/07/49/89/904074989.db2.gz OJNDVDAYHFUMEK-MRXNPFEDSA-N 2 0 279.428 1.439 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001269958680 904233172 /nfs/dbraw/zinc/23/31/72/904233172.db2.gz IGFBFMRAWQKJFF-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001270158675 904402289 /nfs/dbraw/zinc/40/22/89/904402289.db2.gz WYABKLLNYRTURI-UHFFFAOYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[N@H+]1CC[C@@](C)(NC(=O)CCCn2ccnc2)C1 ZINC001270665412 904908083 /nfs/dbraw/zinc/90/80/83/904908083.db2.gz PHEJDGJHWJTLNU-MRXNPFEDSA-N 2 0 290.411 1.820 10 30 CDEERP C=CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001271068889 905611895 /nfs/dbraw/zinc/61/18/95/905611895.db2.gz USZWWXOXJCKVLW-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001271074670 905614952 /nfs/dbraw/zinc/61/49/52/905614952.db2.gz HYLQFDFKDBSQRB-KKUMJFAQSA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001271551415 906512554 /nfs/dbraw/zinc/51/25/54/906512554.db2.gz QPAWPFRUKZRGSQ-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001482666532 908161724 /nfs/dbraw/zinc/16/17/24/908161724.db2.gz PRZHZUWBZIANGT-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001483007486 908684419 /nfs/dbraw/zinc/68/44/19/908684419.db2.gz AKPJDAPHFYWUCO-MHKRFPNSSA-N 2 0 277.412 1.002 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483135555 909779862 /nfs/dbraw/zinc/77/98/62/909779862.db2.gz IWTZUQNNCOXFQX-UONOGXRCSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001507013795 909840408 /nfs/dbraw/zinc/84/04/08/909840408.db2.gz ZQSBQHMIJMDINC-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001568041082 1169126282 /nfs/dbraw/zinc/12/62/82/1169126282.db2.gz PHVFUYIMSYFLQM-WBVHZDCISA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001483352584 910955162 /nfs/dbraw/zinc/95/51/62/910955162.db2.gz NUDDZOFHMVCHLJ-CHWSQXEVSA-N 2 0 255.406 1.339 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001483410747 911079778 /nfs/dbraw/zinc/07/97/78/911079778.db2.gz WMUDOCLLENMTAY-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001485340977 916854430 /nfs/dbraw/zinc/85/44/30/916854430.db2.gz AJJHWCAHCXRIQQ-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001485577861 917106604 /nfs/dbraw/zinc/10/66/04/917106604.db2.gz RMKNDVJEWLZVMK-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001485578054 917107670 /nfs/dbraw/zinc/10/76/70/917107670.db2.gz SUUDQQDLNNZAKK-ZDUSSCGKSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272866134 919925548 /nfs/dbraw/zinc/92/55/48/919925548.db2.gz RUPGCAQVKKUJTH-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272865136 919927186 /nfs/dbraw/zinc/92/71/86/919927186.db2.gz JWCBRTLCFYKFCW-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001485919325 920577121 /nfs/dbraw/zinc/57/71/21/920577121.db2.gz GCBCXGGUMLSTHT-HUUCEWRRSA-N 2 0 281.444 1.567 10 30 CDEERP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001486466285 921040921 /nfs/dbraw/zinc/04/09/21/921040921.db2.gz IETKMLLPELCBFC-UHFFFAOYSA-N 2 0 279.428 1.626 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001491252876 936884047 /nfs/dbraw/zinc/88/40/47/936884047.db2.gz GDCYIDGEXQQILF-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568412689 1169276470 /nfs/dbraw/zinc/27/64/70/1169276470.db2.gz VJQAFYUDPZBGDG-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001489056999 926784191 /nfs/dbraw/zinc/78/41/91/926784191.db2.gz GKJOICXBYLEYET-PMPSAXMXSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001489148080 926809481 /nfs/dbraw/zinc/80/94/81/926809481.db2.gz WSLJTKGJYYWPNR-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001489350061 926877680 /nfs/dbraw/zinc/87/76/80/926877680.db2.gz NXQRWSMPQKNOSE-LSDHHAIUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001568476934 1169309701 /nfs/dbraw/zinc/30/97/01/1169309701.db2.gz QJGKUHVNHPVWQN-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001319912707 931490985 /nfs/dbraw/zinc/49/09/85/931490985.db2.gz YDFCHVAHHPUOFK-GJZGRUSLSA-N 2 0 281.444 1.776 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001274761049 931569478 /nfs/dbraw/zinc/56/94/78/931569478.db2.gz YDQBVWCUGHMUQX-UKRRQHHQSA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274996959 931627743 /nfs/dbraw/zinc/62/77/43/931627743.db2.gz NALBGUXJIGAWNO-OWCLPIDISA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001275114975 931668217 /nfs/dbraw/zinc/66/82/17/931668217.db2.gz MMUXXERNTZRSJX-HNNXBMFYSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001275116495 931668244 /nfs/dbraw/zinc/66/82/44/931668244.db2.gz YLSFVNQWKCBYOO-OAHLLOKOSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001276146648 932564730 /nfs/dbraw/zinc/56/47/30/932564730.db2.gz HQJCAZNRHMRRNG-CVEARBPZSA-N 2 0 293.455 1.424 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCCC1 ZINC001276218338 932661031 /nfs/dbraw/zinc/66/10/31/932661031.db2.gz BNNAOBWTWFJKEH-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001277046307 941863367 /nfs/dbraw/zinc/86/33/67/941863367.db2.gz NAUUDNMQQITDBF-RBSFLKMASA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001277190178 942152513 /nfs/dbraw/zinc/15/25/13/942152513.db2.gz WWMKLPQAXZRBKE-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001277258994 942251936 /nfs/dbraw/zinc/25/19/36/942251936.db2.gz GLKUGUBFHGFGPS-BETUJISGSA-N 2 0 265.401 1.284 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001280374335 942431792 /nfs/dbraw/zinc/43/17/92/942431792.db2.gz TYXRJPNEEZNYEI-KKUMJFAQSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001281687108 942608937 /nfs/dbraw/zinc/60/89/37/942608937.db2.gz UGSAARJMQUKESM-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001282274274 942685308 /nfs/dbraw/zinc/68/53/08/942685308.db2.gz GJEKIJWWJYSKBS-UHFFFAOYSA-N 2 0 279.428 1.319 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001283611871 942946046 /nfs/dbraw/zinc/94/60/46/942946046.db2.gz KUZOUYBZZOKHGX-QLFBSQMISA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1ccnc1 ZINC001263804322 943977112 /nfs/dbraw/zinc/97/71/12/943977112.db2.gz AEIMOSQRMDYJGH-CQSZACIVSA-N 2 0 276.384 1.382 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001263879181 944018192 /nfs/dbraw/zinc/01/81/92/944018192.db2.gz PTTVKQRSVBOGRH-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001264127606 944083885 /nfs/dbraw/zinc/08/38/85/944083885.db2.gz IYPYGHGHQUCVAB-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265704839 944476656 /nfs/dbraw/zinc/47/66/56/944476656.db2.gz AQSPZYUZFWZTPR-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001265979658 944611157 /nfs/dbraw/zinc/61/11/57/944611157.db2.gz QELASHDNZFRJII-SOUVJXGZSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266143765 944711569 /nfs/dbraw/zinc/71/15/69/944711569.db2.gz IOHCQGGGFNNVHT-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001479724167 971384493 /nfs/dbraw/zinc/38/44/93/971384493.db2.gz AXNGUJCOXSCAEE-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001479816230 971433746 /nfs/dbraw/zinc/43/37/46/971433746.db2.gz RSMYEAFWRQTFBO-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001479852463 971453639 /nfs/dbraw/zinc/45/36/39/971453639.db2.gz JCEGHJHYYDQMSA-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC001279036243 948627602 /nfs/dbraw/zinc/62/76/02/948627602.db2.gz ZDGCHMCUHDUAPY-CYBMUJFWSA-N 2 0 267.417 1.080 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001569018818 1169597719 /nfs/dbraw/zinc/59/77/19/1169597719.db2.gz UHIHURJZKHKDGY-OLZOCXBDSA-N 2 0 255.406 1.387 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001278505412 949037656 /nfs/dbraw/zinc/03/76/56/949037656.db2.gz RGLIAYUOSXNPNA-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001480085341 971569025 /nfs/dbraw/zinc/56/90/25/971569025.db2.gz NUTKNFIJNBBOEN-INIZCTEOSA-N 2 0 293.455 1.522 10 30 CDEERP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001480331615 971674099 /nfs/dbraw/zinc/67/40/99/971674099.db2.gz HRNTWDOGHZUMNL-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001278636796 950775285 /nfs/dbraw/zinc/77/52/85/950775285.db2.gz JDFJFAHULSRRTQ-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480462024 971741020 /nfs/dbraw/zinc/74/10/20/971741020.db2.gz FEYZCSUVRRXILB-BFHYXJOUSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001278689599 951721962 /nfs/dbraw/zinc/72/19/62/951721962.db2.gz FIIMMISBSKETKK-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001569125421 1169674623 /nfs/dbraw/zinc/67/46/23/1169674623.db2.gz UYTDVEVOWOYZTF-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001569145172 1169688425 /nfs/dbraw/zinc/68/84/25/1169688425.db2.gz CTUPOFKAZHAQES-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001325561617 953949004 /nfs/dbraw/zinc/94/90/04/953949004.db2.gz LWSMMYXXBVRYGS-KBPBESRZSA-N 2 0 267.417 1.198 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001326412800 954365846 /nfs/dbraw/zinc/36/58/46/954365846.db2.gz UYQKPFNWPSOYRM-OAHLLOKOSA-N 2 0 291.439 1.487 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001327162208 954742216 /nfs/dbraw/zinc/74/22/16/954742216.db2.gz HZTBFIAJIJHTPA-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001328354198 955272146 /nfs/dbraw/zinc/27/21/46/955272146.db2.gz POGXFGNDFHYNRH-KBPBESRZSA-N 2 0 267.417 1.080 10 30 CDEERP CC[NH+](CC)C1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC001328455945 955300054 /nfs/dbraw/zinc/30/00/54/955300054.db2.gz SIHWXXRMGJDDAU-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001491599576 955306521 /nfs/dbraw/zinc/30/65/21/955306521.db2.gz ADBBNJOOYPRCGZ-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001491755794 955406740 /nfs/dbraw/zinc/40/67/40/955406740.db2.gz PEODHPPVFLKANY-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001491857227 955472127 /nfs/dbraw/zinc/47/21/27/955472127.db2.gz YJOXAHCJEWYBGO-HZPDHXFCSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001421947654 955670160 /nfs/dbraw/zinc/67/01/60/955670160.db2.gz VKDBCNGUGHOXCV-YPMHNXCESA-N 2 0 287.835 1.517 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001329860574 956143292 /nfs/dbraw/zinc/14/32/92/956143292.db2.gz GDDUDZOHUCDSHI-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001330683248 956560567 /nfs/dbraw/zinc/56/05/67/956560567.db2.gz SYQAOORLGUHAGH-HDJSIYSDSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480732816 956709212 /nfs/dbraw/zinc/70/92/12/956709212.db2.gz VWXAJOWZIIWBJC-CVEARBPZSA-N 2 0 293.455 1.519 10 30 CDEERP C=CCCC[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001331039392 956782131 /nfs/dbraw/zinc/78/21/31/956782131.db2.gz QPNKAFROXQVMQY-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001331198938 956884210 /nfs/dbraw/zinc/88/42/10/956884210.db2.gz AKDWJULSZCTEIQ-BZUAXINKSA-N 2 0 293.455 1.470 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001331592293 957154291 /nfs/dbraw/zinc/15/42/91/957154291.db2.gz BWTDOEWBMHQCHW-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001317248315 957378122 /nfs/dbraw/zinc/37/81/22/957378122.db2.gz WBTSEAIGLOBCRZ-AWEZNQCLSA-N 2 0 297.443 1.015 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001317414309 957461231 /nfs/dbraw/zinc/46/12/31/957461231.db2.gz PZURITCGYBHMRU-LSDHHAIUSA-N 2 0 297.443 1.015 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317486101 957506699 /nfs/dbraw/zinc/50/66/99/957506699.db2.gz JYQCWFIAWFSGED-CQSZACIVSA-N 2 0 267.417 1.034 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001494625037 972271203 /nfs/dbraw/zinc/27/12/03/972271203.db2.gz INMKPJVIDRSSJV-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001425683322 957599289 /nfs/dbraw/zinc/59/92/89/957599289.db2.gz NJHRKBHBMCQFHV-NWDGAFQWSA-N 2 0 273.808 1.127 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001317654424 957625689 /nfs/dbraw/zinc/62/56/89/957625689.db2.gz OHAJYXICANMSMD-HNNXBMFYSA-N 2 0 265.401 1.096 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001480763224 957689104 /nfs/dbraw/zinc/68/91/04/957689104.db2.gz ATZZWLULXSHLIL-LSDHHAIUSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001318822086 958272982 /nfs/dbraw/zinc/27/29/82/958272982.db2.gz RCZPWDHOBGMLQO-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001318932097 958311155 /nfs/dbraw/zinc/31/11/55/958311155.db2.gz XMBZKCGPIBPMAB-UHFFFAOYSA-N 2 0 291.439 1.324 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001319461572 958576149 /nfs/dbraw/zinc/57/61/49/958576149.db2.gz UASOMBNFBNYTEA-CQSZACIVSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001494999112 972369270 /nfs/dbraw/zinc/36/92/70/972369270.db2.gz GQRBGTNRVGDRPI-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001321897661 960009663 /nfs/dbraw/zinc/00/96/63/960009663.db2.gz OORDQQUXHANDIP-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001321909890 960011856 /nfs/dbraw/zinc/01/18/56/960011856.db2.gz TZAYKVUIEKLEIA-ZDUSSCGKSA-N 2 0 265.401 1.285 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC001344400646 964296848 /nfs/dbraw/zinc/29/68/48/964296848.db2.gz SULZGHMYLXWNRD-MRXNPFEDSA-N 2 0 287.407 1.632 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH+](CC)CC)CC1 ZINC001347659872 965644532 /nfs/dbraw/zinc/64/45/32/965644532.db2.gz KQPNCIFQJVQDMH-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C[NH+](C)C(C)C ZINC001448882285 967293152 /nfs/dbraw/zinc/29/31/52/967293152.db2.gz JNKYNMZOJAJGCR-UHFFFAOYSA-N 2 0 255.406 1.293 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001354645849 968823716 /nfs/dbraw/zinc/82/37/16/968823716.db2.gz UQGCQTLABSKJSJ-GHMZBOCLSA-N 2 0 275.343 1.031 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001495685891 972594670 /nfs/dbraw/zinc/59/46/70/972594670.db2.gz XROKBQWUKAANQB-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(Cl)CN1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001373381358 973405509 /nfs/dbraw/zinc/40/55/09/973405509.db2.gz HHWOCXZWXWJCET-GFCCVEGCSA-N 2 0 273.808 1.271 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001499955497 974343574 /nfs/dbraw/zinc/34/35/74/974343574.db2.gz SMLKZRDVWHNYEK-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C=CCCC[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001500281256 974414469 /nfs/dbraw/zinc/41/44/69/974414469.db2.gz SVQVYNOMFLNSSH-WBVHZDCISA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001501403907 974579387 /nfs/dbraw/zinc/57/93/87/974579387.db2.gz MVGODSUKRUHKGX-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001501618488 974608886 /nfs/dbraw/zinc/60/88/86/974608886.db2.gz LMDNGVZLRWGMJZ-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001503015773 974809665 /nfs/dbraw/zinc/80/96/65/974809665.db2.gz WQVJKYLCCYTMLV-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001505400311 974860068 /nfs/dbraw/zinc/86/00/68/974860068.db2.gz KPKAQWRCDSHINS-INIZCTEOSA-N 2 0 291.439 1.132 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCCF)CC1 ZINC001505760786 974985119 /nfs/dbraw/zinc/98/51/19/974985119.db2.gz OZUAKIPYDPYURK-KBPBESRZSA-N 2 0 297.418 1.174 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001377833594 975151183 /nfs/dbraw/zinc/15/11/83/975151183.db2.gz YBFHWUVLJWKNQJ-RYUDHWBXSA-N 2 0 287.835 1.706 10 30 CDEERP C=CC[NH+]1CC=C(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001508228770 975645517 /nfs/dbraw/zinc/64/55/17/975645517.db2.gz XWQLZFDWLIKFME-UHFFFAOYSA-N 2 0 265.401 1.263 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001390718718 976453408 /nfs/dbraw/zinc/45/34/08/976453408.db2.gz YWSQBBSUMXITAA-QWHCGFSZSA-N 2 0 287.835 1.565 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001393052200 977687755 /nfs/dbraw/zinc/68/77/55/977687755.db2.gz REEZXLRBGQESAT-KBPBESRZSA-N 2 0 299.846 1.804 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001393905374 977953934 /nfs/dbraw/zinc/95/39/34/977953934.db2.gz LLPRUKSNSVETDJ-CPCZMJQVSA-N 2 0 285.819 1.175 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001570736373 1170261210 /nfs/dbraw/zinc/26/12/10/1170261210.db2.gz WNWXXPIYUBPDNM-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001571023432 1170330272 /nfs/dbraw/zinc/33/02/72/1170330272.db2.gz QKCHDNVCZCAOBP-XHSDSOJGSA-N 2 0 291.439 1.177 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001656102666 1171764420 /nfs/dbraw/zinc/76/44/20/1171764420.db2.gz OLAJOQFOWYYNDH-HNNXBMFYSA-N 2 0 291.439 1.581 10 30 CDEERP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594437259 342898980 /nfs/dbraw/zinc/89/89/80/342898980.db2.gz VFFZBVUHELCZCJ-ZIAGYGMSSA-N 2 0 280.416 1.340 10 30 CDEERP CC1CC[NH+](CCC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600716523 342244318 /nfs/dbraw/zinc/24/43/18/342244318.db2.gz YINVXXIOODSXPF-OAHLLOKOSA-N 2 0 279.428 1.753 10 30 CDEERP N#CC1(C[C@H](O)C[NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000600716505 342244402 /nfs/dbraw/zinc/24/44/02/342244402.db2.gz YEARBSJXPSMXMZ-AWEZNQCLSA-N 2 0 265.401 1.507 10 30 CDEERP CC(C)[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594436746 342900242 /nfs/dbraw/zinc/90/02/42/342900242.db2.gz QHMYDFIHPWGFJW-CQSZACIVSA-N 2 0 280.416 1.387 10 30 CDEERP C[NH+]=C(NC[C@H]1C[N@H+](CC(C)C)CCO1)N1CCCC1 ZINC000071799777 356963786 /nfs/dbraw/zinc/96/37/86/356963786.db2.gz VBSKXMCCCLQBCH-AWEZNQCLSA-N 2 0 282.432 1.014 10 30 CDEERP C=CC[NH+](CC=C)[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)C(C)C ZINC000638068072 367969880 /nfs/dbraw/zinc/96/98/80/367969880.db2.gz GISVPSZMGYVICB-JKSUJKDBSA-N 2 0 291.439 1.849 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001661792988 1172448583 /nfs/dbraw/zinc/44/85/83/1172448583.db2.gz JYOYVNXPBUMCOD-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001661926161 1172467476 /nfs/dbraw/zinc/46/74/76/1172467476.db2.gz SNCDZOWAQXKBGY-GJZGRUSLSA-N 2 0 297.418 1.270 10 30 CDEERP C=CC[NH2+]C1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001662137908 1172485897 /nfs/dbraw/zinc/48/58/97/1172485897.db2.gz BOJOMMMUWNNNBG-UHFFFAOYSA-N 2 0 281.444 1.921 10 30 CDEERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000069349815 378019750 /nfs/dbraw/zinc/01/97/50/378019750.db2.gz ASCRSQCLPUAPHW-CQSZACIVSA-N 2 0 287.407 1.741 10 30 CDEERP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001662872740 1172606339 /nfs/dbraw/zinc/60/63/39/1172606339.db2.gz RXPJYBHVMUOREP-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C[NH+](C)CCCC1CC[NH+](CCOCCC#N)CC1 ZINC000339060408 391248805 /nfs/dbraw/zinc/24/88/05/391248805.db2.gz RLJVMGWYFLQPOU-UHFFFAOYSA-N 2 0 267.417 1.970 10 30 CDEERP C=CCCC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001663547233 1172720040 /nfs/dbraw/zinc/72/00/40/1172720040.db2.gz BTQZDAKYQRNTBW-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001664394948 1172849126 /nfs/dbraw/zinc/84/91/26/1172849126.db2.gz JVUXCZVXJGSYQD-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C[NH+](C)CCCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000343898823 152345489 /nfs/dbraw/zinc/34/54/89/152345489.db2.gz NWNBIGAVLQWJDV-UHFFFAOYSA-N 2 0 271.368 1.637 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001664754815 1172905441 /nfs/dbraw/zinc/90/54/41/1172905441.db2.gz IRWSRTXCYOKOJF-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CCC[NH2+]1 ZINC000662743947 413417816 /nfs/dbraw/zinc/41/78/16/413417816.db2.gz ACZXWRVMUHRATL-CZUORRHYSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001665732237 1173047856 /nfs/dbraw/zinc/04/78/56/1173047856.db2.gz QZIMFIIDNZYXTP-OAHLLOKOSA-N 2 0 293.455 1.520 10 30 CDEERP C=CCOCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657429597 414323661 /nfs/dbraw/zinc/32/36/61/414323661.db2.gz KMBIKQYSTITTSO-UHFFFAOYSA-N 2 0 258.325 1.560 10 30 CDEERP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000662081754 414503696 /nfs/dbraw/zinc/50/36/96/414503696.db2.gz RVWZWELCFRWXHW-HRCADAONSA-N 2 0 291.439 1.722 10 30 CDEERP CN[C@](C)(C#N)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045182201 175325306 /nfs/dbraw/zinc/32/53/06/175325306.db2.gz XJNOMMJBGZITIP-AWEZNQCLSA-N 2 0 252.406 1.152 10 30 CDEERP C[NH+](C)CC1CC[NH+](CC[C@](C)(C#N)NC2CC2)CC1 ZINC000045182215 175325454 /nfs/dbraw/zinc/32/54/54/175325454.db2.gz CZWVKUCFVUHDAB-MRXNPFEDSA-N 2 0 278.444 1.684 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001669140227 1173508246 /nfs/dbraw/zinc/50/82/46/1173508246.db2.gz XAFGUZQBSOQUFY-XVWMLYKFSA-N 2 0 279.428 1.556 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001671564862 1173690290 /nfs/dbraw/zinc/69/02/90/1173690290.db2.gz ZDGQLBZEUIKBLC-GDBMZVCRSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC1 ZINC001673206372 1173836220 /nfs/dbraw/zinc/83/62/20/1173836220.db2.gz TVHGWZOKTTWUHK-CQSZACIVSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001267016311 1159085390 /nfs/dbraw/zinc/08/53/90/1159085390.db2.gz QGRDIEGTEHHKOS-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C[N@@H+]1CCC[C@@H]2C[NH+](CCOCCC#N)CC[C@H]21 ZINC000339020157 327008059 /nfs/dbraw/zinc/00/80/59/327008059.db2.gz DEXQYVKTUBALAK-ZIAGYGMSSA-N 2 0 251.374 1.333 10 30 CDEERP C[C@@H]1CCC[C@@](CNC(=[NH2+])N2CCO[C@H](C)C2)([NH+](C)C)C1 ZINC000262474000 330015866 /nfs/dbraw/zinc/01/58/66/330015866.db2.gz PMWCUDJWCRQKSJ-IIAWOOMASA-N 2 0 296.459 1.532 10 30 CDEERP C=C[C@@H](C)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422986691 330162895 /nfs/dbraw/zinc/16/28/95/330162895.db2.gz DFFIRGGKZKYIMA-VXGBXAGGSA-N 2 0 254.374 1.472 10 30 CDEERP CC1(C)COC[C@H]1[NH2+]CC#CC[NH2+][C@@H]1COCC1(C)C ZINC000451813267 331043489 /nfs/dbraw/zinc/04/34/89/331043489.db2.gz QNOURPWILJXYPK-ZIAGYGMSSA-N 2 0 280.412 1.019 10 30 CDEERP C#CC[NH+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001671648374 1159760033 /nfs/dbraw/zinc/76/00/33/1159760033.db2.gz GSCRVLQRLGBNEE-HOCLYGCPSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)[C@@H](CO)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000684212502 482705051 /nfs/dbraw/zinc/70/50/51/482705051.db2.gz TZDNUFJMWSZPAI-FGTMMUONSA-N 2 0 286.419 1.987 10 30 CDEERP CC[NH2+]CC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000068760760 519914915 /nfs/dbraw/zinc/91/49/15/519914915.db2.gz JSKBDMTWCZDKEX-UHFFFAOYSA-N 2 0 258.369 1.775 10 30 CDEERP CCC[N@H+](CCO)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609663 521667384 /nfs/dbraw/zinc/66/73/84/521667384.db2.gz TVLXZSTZCZPTQM-UHFFFAOYSA-N 2 0 264.344 1.340 10 30 CDEERP CC[C@@H](C)[NH+]1CCN(Cc2ccc(C#CC[NH3+])cc2)CC1 ZINC000055069309 522126437 /nfs/dbraw/zinc/12/64/37/522126437.db2.gz ZMMFNIVDRPWHAB-MRXNPFEDSA-N 2 0 285.435 1.913 10 30 CDEERP Cn1cc(C[N@H+](C)Cc2ccc(C#CC[NH3+])cc2)cn1 ZINC000049609821 523516079 /nfs/dbraw/zinc/51/60/79/523516079.db2.gz AQNGUTRJKCXBMF-UHFFFAOYSA-N 2 0 268.364 1.362 10 30 CDEERP [NH3+]CC#Cc1cc(C[N@@H+]2CCCC[C@@H]2CCO)ccc1F ZINC000049608686 527147402 /nfs/dbraw/zinc/14/74/02/527147402.db2.gz HEBXEAJCWWYBCN-MRXNPFEDSA-N 2 0 290.382 1.873 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000049608678 527148994 /nfs/dbraw/zinc/14/89/94/527148994.db2.gz YAAYPZXRRZEYLB-QGZVFWFLSA-N 2 0 272.392 1.734 10 30 CDEERP O=C(C[N@H+]1CC[C@@H](CCO)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329619164 538595421 /nfs/dbraw/zinc/59/54/21/538595421.db2.gz QTGWDRMKMZGPQA-ZDUSSCGKSA-N 2 0 295.427 1.274 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001688931689 1175071553 /nfs/dbraw/zinc/07/15/53/1175071553.db2.gz NJMLGHBJXCCWDI-YHUYYLMFSA-N 2 0 291.439 1.224 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001689912331 1175302656 /nfs/dbraw/zinc/30/26/56/1175302656.db2.gz UYXAYKYTZMWCST-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000939754334 613351267 /nfs/dbraw/zinc/35/12/67/613351267.db2.gz MOSBJLHDDGWIKF-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000899908897 622516235 /nfs/dbraw/zinc/51/62/35/622516235.db2.gz FVXFKMZWQQNMBN-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000900664325 623344465 /nfs/dbraw/zinc/34/44/65/623344465.db2.gz JDXUEGUFIYUMDZ-CQSZACIVSA-N 2 0 265.401 1.189 10 30 CDEERP N#CC1CCC(C[N@@H+]2CCCO[C@H](C[NH3+])C2)CC1 ZINC000903458573 625994430 /nfs/dbraw/zinc/99/44/30/625994430.db2.gz DNPBGNAENUFLCX-JXQTWKCFSA-N 2 0 251.374 1.366 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000909207986 628568872 /nfs/dbraw/zinc/56/88/72/628568872.db2.gz HQOXUUVKOWRCLG-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000912602560 630094401 /nfs/dbraw/zinc/09/44/01/630094401.db2.gz VULMGRIWKDVVDH-OLZOCXBDSA-N 2 0 265.401 1.093 10 30 CDEERP C#CCN(C(=O)N[C@H](C)CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000915152563 631659404 /nfs/dbraw/zinc/65/94/04/631659404.db2.gz DOGAMYHCFGJVGM-CQSZACIVSA-N 2 0 294.443 1.066 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001691074583 1158892704 /nfs/dbraw/zinc/89/27/04/1158892704.db2.gz DCRHIHXHHHCBGE-AWEZNQCLSA-N 2 0 267.417 1.435 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001266896206 1158967214 /nfs/dbraw/zinc/96/72/14/1158967214.db2.gz XWIQMFRULMCZGB-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001275732937 1166703384 /nfs/dbraw/zinc/70/33/84/1166703384.db2.gz MLALWTQSEIFTHN-OAHLLOKOSA-N 2 0 295.471 1.670 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC001540642272 1167921514 /nfs/dbraw/zinc/92/15/14/1167921514.db2.gz DUZJHUMCBKGSLB-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001571314834 1170363778 /nfs/dbraw/zinc/36/37/78/1170363778.db2.gz NCLFLZAQSJTIDS-OAHLLOKOSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC)C1 ZINC001656203689 1171790808 /nfs/dbraw/zinc/79/08/08/1171790808.db2.gz NBLYAXJMGUYUBW-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001661817818 1172450537 /nfs/dbraw/zinc/45/05/37/1172450537.db2.gz CBAJEPFEJHVMBU-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)CC[NH+]1CCCCC1 ZINC001665887439 1173079286 /nfs/dbraw/zinc/07/92/86/1173079286.db2.gz AFRSWGSPAGDIET-HNNXBMFYSA-N 2 0 281.444 1.923 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001691989249 1175663927 /nfs/dbraw/zinc/66/39/27/1175663927.db2.gz CHTLTPLSNZKPSW-HUUCEWRRSA-N 2 0 279.428 1.130 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001698564732 1175845569 /nfs/dbraw/zinc/84/55/69/1175845569.db2.gz WREZLBVDVYJKBA-CQSZACIVSA-N 2 0 265.401 1.189 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001698676269 1175892624 /nfs/dbraw/zinc/89/26/24/1175892624.db2.gz OSQXRAMLBBLZCQ-HNNXBMFYSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001698861186 1175967537 /nfs/dbraw/zinc/96/75/37/1175967537.db2.gz NAJBJAFGWLGAHY-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001698890484 1175979292 /nfs/dbraw/zinc/97/92/92/1175979292.db2.gz FTBAJEIIXVQZCR-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001699186469 1176131511 /nfs/dbraw/zinc/13/15/11/1176131511.db2.gz KBLLFNNSJLLXPW-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699362496 1176317125 /nfs/dbraw/zinc/31/71/25/1176317125.db2.gz AYCGFSJMWUDVIY-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001699404616 1176369756 /nfs/dbraw/zinc/36/97/56/1176369756.db2.gz GXIPHHKIPIDNPV-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001699423140 1176387252 /nfs/dbraw/zinc/38/72/52/1176387252.db2.gz VGTCEDAIZOCMCJ-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001699573565 1176479089 /nfs/dbraw/zinc/47/90/89/1176479089.db2.gz HWUUTMTVJQZBRI-GJZGRUSLSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)CCC[NH+]1CCCCC1)C1CC1 ZINC001699603747 1176495544 /nfs/dbraw/zinc/49/55/44/1176495544.db2.gz SQBGJAMHCYDTCR-MRXNPFEDSA-N 2 0 291.439 1.370 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001699759003 1176611136 /nfs/dbraw/zinc/61/11/36/1176611136.db2.gz YZWZWESQHLENIN-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001700285736 1176833245 /nfs/dbraw/zinc/83/32/45/1176833245.db2.gz CYOPOFORJLSDEU-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001700370121 1176878518 /nfs/dbraw/zinc/87/85/18/1176878518.db2.gz AHCRCWOXASOTJR-NRXISQOPSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001700380835 1176886635 /nfs/dbraw/zinc/88/66/35/1176886635.db2.gz VQEXLAHSWVOASK-UHFFFAOYSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)CCC)CC1 ZINC001700438069 1176928856 /nfs/dbraw/zinc/92/88/56/1176928856.db2.gz UQZODRQNXCIGLO-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001700440783 1176930495 /nfs/dbraw/zinc/93/04/95/1176930495.db2.gz YDNLCFVZUKLSBM-HNNXBMFYSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)CCC[NH+](C)C ZINC001700444732 1176932323 /nfs/dbraw/zinc/93/23/23/1176932323.db2.gz HOCYCTBGIKPLRV-UHFFFAOYSA-N 2 0 267.417 1.036 10 30 CDEERP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001700489123 1176979026 /nfs/dbraw/zinc/97/90/26/1176979026.db2.gz NANUTVMMEHOEOB-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001700634804 1177046222 /nfs/dbraw/zinc/04/62/22/1177046222.db2.gz SBWOTYYTVWMDQU-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001700640472 1177050406 /nfs/dbraw/zinc/05/04/06/1177050406.db2.gz VZWLGAQDFCUCDF-HDJSIYSDSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001700779820 1177129347 /nfs/dbraw/zinc/12/93/47/1177129347.db2.gz GGQDXQWUNMTYTM-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001700988450 1177228571 /nfs/dbraw/zinc/22/85/71/1177228571.db2.gz QJVKKILGKSKOKQ-HUUCEWRRSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001701023898 1177243763 /nfs/dbraw/zinc/24/37/63/1177243763.db2.gz SQZYTKRPSQYUAC-UHFFFAOYSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001707080928 1177944311 /nfs/dbraw/zinc/94/43/11/1177944311.db2.gz AHAGRPVGCKRZFV-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001707379324 1178005312 /nfs/dbraw/zinc/00/53/12/1178005312.db2.gz GQXKCLQAXQKXRT-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001707417045 1178031798 /nfs/dbraw/zinc/03/17/98/1178031798.db2.gz DGONNJIUTVAZQO-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001707435182 1178044395 /nfs/dbraw/zinc/04/43/95/1178044395.db2.gz FRHRCKHTMDHIMV-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001707481747 1178075751 /nfs/dbraw/zinc/07/57/51/1178075751.db2.gz WBSLLCDTDDWIHE-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001713053410 1178332008 /nfs/dbraw/zinc/33/20/08/1178332008.db2.gz VUWAYDIRARMGEK-HNNXBMFYSA-N 2 0 281.444 1.681 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001713135521 1178390688 /nfs/dbraw/zinc/39/06/88/1178390688.db2.gz LPFHWPFYOMQUAJ-HOTGVXAUSA-N 2 0 291.439 1.132 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713205411 1178430774 /nfs/dbraw/zinc/43/07/74/1178430774.db2.gz JCVZFWJQFUFZAJ-MELADBBJSA-N 2 0 265.401 1.141 10 30 CDEERP C#CC[NH2+]C1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001713291634 1178469580 /nfs/dbraw/zinc/46/95/80/1178469580.db2.gz SFKQXKTYKHPIIQ-UHFFFAOYSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001713415943 1178548362 /nfs/dbraw/zinc/54/83/62/1178548362.db2.gz LYVGCGIZZRMIKS-CQSZACIVSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[N@H+](CCC)CCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001713552365 1178640608 /nfs/dbraw/zinc/64/06/08/1178640608.db2.gz XUGWTMYUVBIMMI-HNNXBMFYSA-N 2 0 297.443 1.111 10 30 CDEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001713849552 1178791961 /nfs/dbraw/zinc/79/19/61/1178791961.db2.gz ICHKLVMQXVGVKP-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCC=C)C2)CC1 ZINC001714023031 1178932915 /nfs/dbraw/zinc/93/29/15/1178932915.db2.gz YEJVWAWVWJSWMI-IYBDPMFKSA-N 2 0 289.423 1.145 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001714088190 1178967659 /nfs/dbraw/zinc/96/76/59/1178967659.db2.gz GPWVCBJNMCWHSJ-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001714277578 1179061618 /nfs/dbraw/zinc/06/16/18/1179061618.db2.gz BZVGAHFRCXIPRA-GJZGRUSLSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001714652814 1179298503 /nfs/dbraw/zinc/29/85/03/1179298503.db2.gz CUKUPEVTNHJOPV-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001714890345 1179438610 /nfs/dbraw/zinc/43/86/10/1179438610.db2.gz HRTRYIVQPAKTLR-HOTGVXAUSA-N 2 0 293.455 1.826 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001714904526 1179445803 /nfs/dbraw/zinc/44/58/03/1179445803.db2.gz SVALWAIQPFBPPT-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001715007185 1179504327 /nfs/dbraw/zinc/50/43/27/1179504327.db2.gz AXJCIEHNUMMKPT-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C[C@H]1C ZINC001715096374 1179549863 /nfs/dbraw/zinc/54/98/63/1179549863.db2.gz FKTQVFMIKKHQKM-TZMCWYRMSA-N 2 0 288.395 1.111 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001715258222 1179599268 /nfs/dbraw/zinc/59/92/68/1179599268.db2.gz ZZOCBZXSMGUSJB-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001715314163 1179619640 /nfs/dbraw/zinc/61/96/40/1179619640.db2.gz KQYSEFLBFMHIBX-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715357548 1179640391 /nfs/dbraw/zinc/64/03/91/1179640391.db2.gz QBKIIHGURVQKRP-ZNMIVQPWSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001715531366 1179703378 /nfs/dbraw/zinc/70/33/78/1179703378.db2.gz BRRFHLJHZDKDFN-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001715533234 1179705722 /nfs/dbraw/zinc/70/57/22/1179705722.db2.gz GUDPZGQRTMDYDO-UHFFFAOYSA-N 2 0 267.417 1.295 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001715711995 1179771866 /nfs/dbraw/zinc/77/18/66/1179771866.db2.gz GSTQZQUJRSIOKE-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001716005892 1179978887 /nfs/dbraw/zinc/97/88/87/1179978887.db2.gz UIRVMEBKBKBQBI-AWEZNQCLSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001716678180 1180363243 /nfs/dbraw/zinc/36/32/43/1180363243.db2.gz YIUBQIDHCNOGRN-KBPBESRZSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001716678181 1180363589 /nfs/dbraw/zinc/36/35/89/1180363589.db2.gz YIUBQIDHCNOGRN-KGLIPLIRSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001716969351 1180485934 /nfs/dbraw/zinc/48/59/34/1180485934.db2.gz MTVORGOUBNBEIB-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001716975444 1180488071 /nfs/dbraw/zinc/48/80/71/1180488071.db2.gz NHIKSSPOAADQDC-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001717215148 1180579400 /nfs/dbraw/zinc/57/94/00/1180579400.db2.gz ZUYLBPUUKZVZQY-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001717336057 1180620780 /nfs/dbraw/zinc/62/07/80/1180620780.db2.gz NCRUZCZXQUPFPT-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001717374477 1180634937 /nfs/dbraw/zinc/63/49/37/1180634937.db2.gz OSGUCTCKPFJRFK-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001717376715 1180637940 /nfs/dbraw/zinc/63/79/40/1180637940.db2.gz WTMJGQVWENGMSU-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001717755818 1180830851 /nfs/dbraw/zinc/83/08/51/1180830851.db2.gz IDCSXQOOABRGMN-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001717804532 1180865714 /nfs/dbraw/zinc/86/57/14/1180865714.db2.gz FXJOHSUTENWIQI-KGLIPLIRSA-N 2 0 267.417 1.482 10 30 CDEERP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001717861600 1180898252 /nfs/dbraw/zinc/89/82/52/1180898252.db2.gz YSLBOQXVCIKQLV-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)Cn2ccnc2)CC1 ZINC001724306903 1181661828 /nfs/dbraw/zinc/66/18/28/1181661828.db2.gz OMILRMGZNRALBF-UHFFFAOYSA-N 2 0 276.384 1.287 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001724609450 1181702389 /nfs/dbraw/zinc/70/23/89/1181702389.db2.gz XVIAUZXYLLTZBG-LSDHHAIUSA-N 2 0 279.428 1.036 10 30 CDEERP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001725286268 1181952551 /nfs/dbraw/zinc/95/25/51/1181952551.db2.gz FPBAVMHDFRSQMT-HNNXBMFYSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725406967 1181991185 /nfs/dbraw/zinc/99/11/85/1181991185.db2.gz FRBBWTHBZFMAGI-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725470001 1182011635 /nfs/dbraw/zinc/01/16/35/1182011635.db2.gz KKGRCGWGYKMOHP-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001725655137 1182088282 /nfs/dbraw/zinc/08/82/82/1182088282.db2.gz KPCGQXWVNOPEIU-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001731497008 1182421029 /nfs/dbraw/zinc/42/10/29/1182421029.db2.gz CEBXEWOFNCOAAE-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001731640133 1182496616 /nfs/dbraw/zinc/49/66/16/1182496616.db2.gz LJPDRGUAEJCDDH-KBPBESRZSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001731669677 1182510925 /nfs/dbraw/zinc/51/09/25/1182510925.db2.gz UGWJBLXOPLVYJP-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001731686117 1182518066 /nfs/dbraw/zinc/51/80/66/1182518066.db2.gz PPEGKDRZNHHXJN-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001731772754 1182567248 /nfs/dbraw/zinc/56/72/48/1182567248.db2.gz MPMNXKUUABKVTL-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001732003267 1182720334 /nfs/dbraw/zinc/72/03/34/1182720334.db2.gz ZVVWQOMJTJOJPY-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001732205836 1182856642 /nfs/dbraw/zinc/85/66/42/1182856642.db2.gz SXIIEGQWWHGXSU-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001732507648 1182992293 /nfs/dbraw/zinc/99/22/93/1182992293.db2.gz JBVQTLIDEOYXJR-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732694481 1183089384 /nfs/dbraw/zinc/08/93/84/1183089384.db2.gz JTDSYZSXEKVBJM-SOUVJXGZSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001732707065 1183094113 /nfs/dbraw/zinc/09/41/13/1183094113.db2.gz SYVJSXNROGZAJG-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001732708239 1183094808 /nfs/dbraw/zinc/09/48/08/1183094808.db2.gz ZUUSJAUDAMEMIQ-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732971393 1183213019 /nfs/dbraw/zinc/21/30/19/1183213019.db2.gz AXJJZGKVMSJUHO-CZUORRHYSA-N 2 0 299.434 1.869 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001733262193 1183375922 /nfs/dbraw/zinc/37/59/22/1183375922.db2.gz AOPMYTPBDFFXTC-CABCVRRESA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001733347947 1183405905 /nfs/dbraw/zinc/40/59/05/1183405905.db2.gz FEVLPMFPZZOGNQ-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001733877576 1183557157 /nfs/dbraw/zinc/55/71/57/1183557157.db2.gz ZQVJAYDFBLLCTK-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001734286518 1183713364 /nfs/dbraw/zinc/71/33/64/1183713364.db2.gz QECUWQIAIFVSIZ-ARFHVFGLSA-N 2 0 293.455 1.470 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001734494901 1183801082 /nfs/dbraw/zinc/80/10/82/1183801082.db2.gz DIMBIFQDBVKZKU-KFWWJZLASA-N 2 0 291.439 1.177 10 30 CDEERP C#CCC[NH+]1CC=C(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001734633763 1183855195 /nfs/dbraw/zinc/85/51/95/1183855195.db2.gz STYXBRVNBBEBCZ-OAHLLOKOSA-N 2 0 289.423 1.100 10 30 CDEERP C=CC[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000878326445 751371470 /nfs/dbraw/zinc/37/14/70/751371470.db2.gz ZJMRYIQNSIWVST-HRCADAONSA-N 2 0 265.445 1.909 10 30 CDEERP CCCCCCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000863560738 751413570 /nfs/dbraw/zinc/41/35/70/751413570.db2.gz QCKMODLXXNIGFO-HNNXBMFYSA-N 2 0 271.449 1.155 10 30 CDEERP C#CC[N@H+](C)CCCN[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000926489878 749722006 /nfs/dbraw/zinc/72/20/06/749722006.db2.gz LFHZNADMMUBIQU-HZPDHXFCSA-N 2 0 263.429 1.548 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000848394771 750117752 /nfs/dbraw/zinc/11/77/52/750117752.db2.gz UUGNVESVJAPDEP-HNNXBMFYSA-N 2 0 288.395 1.215 10 30 CDEERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])NC2CC2)C1 ZINC000261872572 751102429 /nfs/dbraw/zinc/10/24/29/751102429.db2.gz PBBSVIMVHBLZOF-NSHDSACASA-N 2 0 252.406 1.564 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000876925444 751320243 /nfs/dbraw/zinc/32/02/43/751320243.db2.gz GAOWFFBMSOWTNR-RYUDHWBXSA-N 2 0 279.771 1.373 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000876937455 752379623 /nfs/dbraw/zinc/37/96/23/752379623.db2.gz WZTPURBHZMHIRC-UONOGXRCSA-N 2 0 293.798 1.541 10 30 CDEERP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000925775556 752429189 /nfs/dbraw/zinc/42/91/89/752429189.db2.gz HFIPQIFGYPQFJF-UTUOFQBUSA-N 2 0 257.328 1.903 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000876742004 752606908 /nfs/dbraw/zinc/60/69/08/752606908.db2.gz QBDHWRAZCLYPLG-QWHCGFSZSA-N 2 0 287.835 1.693 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000876768298 752686606 /nfs/dbraw/zinc/68/66/06/752686606.db2.gz HDQFOZCBXIOIHD-TUAOUCFPSA-N 2 0 273.808 1.445 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928079492 752912222 /nfs/dbraw/zinc/91/22/22/752912222.db2.gz ZCHACCSENWMPBL-KBPBESRZSA-N 2 0 297.468 1.190 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000876909769 753080672 /nfs/dbraw/zinc/08/06/72/753080672.db2.gz HKDNYQZTZLFKQH-CYBMUJFWSA-N 2 0 285.819 1.447 10 30 CDEERP CC[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N1CCSC(C)(C)C1 ZINC000261954962 753717331 /nfs/dbraw/zinc/71/73/31/753717331.db2.gz OMLHCOVWBKYXPH-CYBMUJFWSA-N 2 0 298.500 1.874 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000876772012 1165912950 /nfs/dbraw/zinc/91/29/50/1165912950.db2.gz FOOSDBKGNPALAO-WOPDTQHZSA-N 2 0 273.808 1.397 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001571002672 1167587573 /nfs/dbraw/zinc/58/75/73/1167587573.db2.gz SEXYWGVIEBLIIP-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001566587826 1167992982 /nfs/dbraw/zinc/99/29/82/1167992982.db2.gz UQVNTNYCNQEHDU-MRXNPFEDSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001567451115 1168768856 /nfs/dbraw/zinc/76/88/56/1168768856.db2.gz DODLWYQKRWHJFY-HOTGVXAUSA-N 2 0 291.439 1.770 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001266282761 894101936 /nfs/dbraw/zinc/10/19/36/894101936.db2.gz QNJBXKJNYZALRP-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001266379802 894635679 /nfs/dbraw/zinc/63/56/79/894635679.db2.gz BHJYVIAWPLJNJN-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001266432160 894847929 /nfs/dbraw/zinc/84/79/29/894847929.db2.gz UNMZNJXBYDJZTK-INIZCTEOSA-N 2 0 279.428 1.487 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001266530932 895244109 /nfs/dbraw/zinc/24/41/09/895244109.db2.gz OJCIDQGQJTYDTJ-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266857251 896209112 /nfs/dbraw/zinc/20/91/12/896209112.db2.gz KUWADFXNSBRLGK-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001266879585 896268877 /nfs/dbraw/zinc/26/88/77/896268877.db2.gz ALHBCEJMZPNNBX-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266888117 896282591 /nfs/dbraw/zinc/28/25/91/896282591.db2.gz BOHRQTPFXBSMQP-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001267252564 897341714 /nfs/dbraw/zinc/34/17/14/897341714.db2.gz TYJQLJZLBMCSTD-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267306688 897549670 /nfs/dbraw/zinc/54/96/70/897549670.db2.gz KITQHNMBLQTHRV-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267308049 897552610 /nfs/dbraw/zinc/55/26/10/897552610.db2.gz YTRZWRWOYQDHLL-JKSUJKDBSA-N 2 0 295.471 1.977 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CCC)C1 ZINC001267488922 898142573 /nfs/dbraw/zinc/14/25/73/898142573.db2.gz RZJXESJBQQDODU-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267588297 898584934 /nfs/dbraw/zinc/58/49/34/898584934.db2.gz CHTLTPLSNZKPSW-CABCVRRESA-N 2 0 279.428 1.130 10 30 CDEERP C=CC[NH+](C)CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001267602542 898721185 /nfs/dbraw/zinc/72/11/85/898721185.db2.gz CUFQUZDGZAWVNL-HNNXBMFYSA-N 2 0 293.455 1.685 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267787670 899730657 /nfs/dbraw/zinc/73/06/57/899730657.db2.gz HWLLMAHKGJMQKV-HUUCEWRRSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001267970923 900123261 /nfs/dbraw/zinc/12/32/61/900123261.db2.gz PWOPRWSLKKHKGR-CQSZACIVSA-N 2 0 265.401 1.239 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)CCC)C1 ZINC001481410873 900581468 /nfs/dbraw/zinc/58/14/68/900581468.db2.gz PHIHMVNJUAUUHI-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001481436969 900662114 /nfs/dbraw/zinc/66/21/14/900662114.db2.gz BPLKSDQILKMMQZ-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001268035716 900689882 /nfs/dbraw/zinc/68/98/82/900689882.db2.gz DLYWTOOGDCTECO-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCC1 ZINC001268047030 900904427 /nfs/dbraw/zinc/90/44/27/900904427.db2.gz WNVOVYFDLCUKMH-UHFFFAOYSA-N 2 0 291.439 1.819 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481489656 900912162 /nfs/dbraw/zinc/91/21/62/900912162.db2.gz WTHCRSGNNCTGTP-HOTGVXAUSA-N 2 0 295.471 1.929 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001481775392 902114251 /nfs/dbraw/zinc/11/42/51/902114251.db2.gz UYAMRGDIQRUVOS-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C#CC[NH2+]C[C@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@H]1C ZINC001481964233 902417665 /nfs/dbraw/zinc/41/76/65/902417665.db2.gz POVHPCRQSZLELA-NVXWUHKLSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268595114 902729315 /nfs/dbraw/zinc/72/93/15/902729315.db2.gz HAVSBSYNWUJWHJ-XITLMJRVSA-N 2 0 291.439 1.536 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268734411 903057171 /nfs/dbraw/zinc/05/71/71/903057171.db2.gz WDXMAWRNUODLPV-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001269348740 903722557 /nfs/dbraw/zinc/72/25/57/903722557.db2.gz NDTLKBFQZGTPGW-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCN1CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001269356340 903728230 /nfs/dbraw/zinc/72/82/30/903728230.db2.gz QBDPHKUSFFBRCQ-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001269522930 903890716 /nfs/dbraw/zinc/89/07/16/903890716.db2.gz WDLKNTNIEIUCPJ-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001269958683 904233868 /nfs/dbraw/zinc/23/38/68/904233868.db2.gz IGFBFMRAWQKJFF-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001270018375 904272773 /nfs/dbraw/zinc/27/27/73/904272773.db2.gz YQOSMCRTSGCOPV-SHTZXODSSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001270940714 905473381 /nfs/dbraw/zinc/47/33/81/905473381.db2.gz OALABTUEJDNNGN-WBVHZDCISA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001482453560 905614268 /nfs/dbraw/zinc/61/42/68/905614268.db2.gz BVUUQWVQUZRPJX-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C[NH+](C)CCOCC[NH2+]Cc1csc(C#N)c1 ZINC000922009222 921245118 /nfs/dbraw/zinc/24/51/18/921245118.db2.gz QDEFDZGOSXJCCS-UHFFFAOYSA-N 2 0 253.371 1.288 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001502780807 906680757 /nfs/dbraw/zinc/68/07/57/906680757.db2.gz GTSSCOWCWITYPN-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)CCC[NH+]1CCCCC1)C(C)C ZINC001482570315 907258048 /nfs/dbraw/zinc/25/80/48/907258048.db2.gz BUVBXTHSULCYPF-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@H]21 ZINC001482668120 908169119 /nfs/dbraw/zinc/16/91/19/908169119.db2.gz VBGBIZPMJJWEOD-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)c1ccc2c[nH+]cn2c1C ZINC001482933577 908501622 /nfs/dbraw/zinc/50/16/22/908501622.db2.gz BRBXSBFXTNJNFA-UHFFFAOYSA-N 2 0 284.363 1.328 10 30 CDEERP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]21 ZINC001272223025 909220693 /nfs/dbraw/zinc/22/06/93/909220693.db2.gz CCBFNGLCUHPKFP-HZPDHXFCSA-N 2 0 291.439 1.273 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001483349446 910950089 /nfs/dbraw/zinc/95/00/89/910950089.db2.gz OGRJZNNWGSORQV-KBPBESRZSA-N 2 0 267.417 1.032 10 30 CDEERP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484126475 915449300 /nfs/dbraw/zinc/44/93/00/915449300.db2.gz WPPCWKOFUUIMCD-ZFWWWQNUSA-N 2 0 299.846 1.519 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484349189 915657523 /nfs/dbraw/zinc/65/75/23/915657523.db2.gz ZESGINZDOHXAMA-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001484927203 916271384 /nfs/dbraw/zinc/27/13/84/916271384.db2.gz OMSILQTUBDMASG-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001485232109 916687232 /nfs/dbraw/zinc/68/72/32/916687232.db2.gz OSKIJUVYSGAVSQ-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485307914 916789101 /nfs/dbraw/zinc/78/91/01/916789101.db2.gz SJOZIZCEINVOBB-MGPQQGTHSA-N 2 0 267.417 1.339 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001485331885 916831209 /nfs/dbraw/zinc/83/12/09/916831209.db2.gz FSNNSESUJWDMPZ-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001568223960 1169189883 /nfs/dbraw/zinc/18/98/83/1169189883.db2.gz UWEJRAJZOZKTBU-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001485874269 920540388 /nfs/dbraw/zinc/54/03/88/920540388.db2.gz VRLVYZQRVREZBY-CABCVRRESA-N 2 0 279.428 1.319 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490957731 936835274 /nfs/dbraw/zinc/83/52/74/936835274.db2.gz BCFNIZSQRDVXQB-BZUAXINKSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)CC1CC[NH+](C)CC1 ZINC001495068654 926725734 /nfs/dbraw/zinc/72/57/34/926725734.db2.gz HYULEPXFESWWCN-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001490560004 927229877 /nfs/dbraw/zinc/22/98/77/927229877.db2.gz ZZDFPYAIUPMYSO-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001490660630 927291654 /nfs/dbraw/zinc/29/16/54/927291654.db2.gz HGLIRFMHMYXXGQ-CVEARBPZSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001274447335 931501201 /nfs/dbraw/zinc/50/12/01/931501201.db2.gz VWGFKCPXPFZMFL-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320464424 931509648 /nfs/dbraw/zinc/50/96/48/931509648.db2.gz ODGPJMGIMMFEID-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001274835071 931591085 /nfs/dbraw/zinc/59/10/85/931591085.db2.gz BJKPOIFSCJLAIO-AWEZNQCLSA-N 2 0 287.407 1.479 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001274841606 931593525 /nfs/dbraw/zinc/59/35/25/931593525.db2.gz WTCWETLZMQBZBA-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001275243427 931712290 /nfs/dbraw/zinc/71/22/90/931712290.db2.gz SJLISHCYDIFIMN-UHFFFAOYSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275538840 931863360 /nfs/dbraw/zinc/86/33/60/931863360.db2.gz IDBUBOVIHZTWDK-KBPBESRZSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001568551619 1169364016 /nfs/dbraw/zinc/36/40/16/1169364016.db2.gz MDUZBHWELOKIHX-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)CCC[NH2+]1 ZINC001119362759 937713206 /nfs/dbraw/zinc/71/32/06/937713206.db2.gz IOADIVSNXXSJHN-VMUDFCTBSA-N 2 0 291.439 1.578 10 30 CDEERP C[C@@H](NC[C@H](O)CC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119732566 937752259 /nfs/dbraw/zinc/75/22/59/937752259.db2.gz MTSFHWPWQRVBAT-VNHYZAJKSA-N 2 0 265.401 1.504 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001276333791 935016997 /nfs/dbraw/zinc/01/69/97/935016997.db2.gz WQBVOYXEFXCCTA-CYBMUJFWSA-N 2 0 287.835 1.519 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001277225554 942196781 /nfs/dbraw/zinc/19/67/81/942196781.db2.gz WAKWNZVKLRWOIG-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568782077 1169473333 /nfs/dbraw/zinc/47/33/33/1169473333.db2.gz ZUXVMKMTNPAGAQ-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[N@@H+](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001277447280 942588098 /nfs/dbraw/zinc/58/80/98/942588098.db2.gz FEPRVECLRRAKEJ-UHFFFAOYSA-N 2 0 291.439 1.418 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001284180943 943098921 /nfs/dbraw/zinc/09/89/21/943098921.db2.gz UNBFENGZANWWJP-CABCVRRESA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001284321993 943146788 /nfs/dbraw/zinc/14/67/88/943146788.db2.gz FCSKLHSEJLRLAW-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277663378 943269419 /nfs/dbraw/zinc/26/94/19/943269419.db2.gz WKRQOXRXKUPUOC-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001332299315 943721658 /nfs/dbraw/zinc/72/16/58/943721658.db2.gz AAAUQXARSNNUJG-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001263861641 944011067 /nfs/dbraw/zinc/01/10/67/944011067.db2.gz IGQDFDBYHDPHPM-FVQBIDKESA-N 2 0 291.439 1.389 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001264363498 944112673 /nfs/dbraw/zinc/11/26/73/944112673.db2.gz JSRCKGCUAOBLJZ-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265032040 944206642 /nfs/dbraw/zinc/20/66/42/944206642.db2.gz GZHBQCNEEVOQBN-CYBMUJFWSA-N 2 0 255.406 1.197 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265622248 944450447 /nfs/dbraw/zinc/45/04/47/944450447.db2.gz YQFYPECVRUKCSL-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001265871953 944552099 /nfs/dbraw/zinc/55/20/99/944552099.db2.gz JVCPDHYODAZYRS-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP N#CC1(c2ccccc2)CC([NH2+]CCOCCC[NH3+])C1 ZINC001261836412 946293443 /nfs/dbraw/zinc/29/34/43/946293443.db2.gz AHYKLLFGLYEWLW-UHFFFAOYSA-N 2 0 273.380 1.565 10 30 CDEERP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278437984 948050014 /nfs/dbraw/zinc/05/00/14/948050014.db2.gz MHFKTXNEZIUSAQ-GDBMZVCRSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001279044007 948636344 /nfs/dbraw/zinc/63/63/44/948636344.db2.gz FEOIACMCTJDPKR-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001480555220 971781403 /nfs/dbraw/zinc/78/14/03/971781403.db2.gz PJFZKJDRGXGQQR-ZDUSSCGKSA-N 2 0 275.396 1.642 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001569121470 1169669107 /nfs/dbraw/zinc/66/91/07/1169669107.db2.gz IVRJHINTLQBKNE-GOEBONIOSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001325434306 953901188 /nfs/dbraw/zinc/90/11/88/953901188.db2.gz AGMGUNAZLNLIHF-GJZGRUSLSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001493255071 971995385 /nfs/dbraw/zinc/99/53/85/971995385.db2.gz NWKZLVHKTZPTCG-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001326420069 954372664 /nfs/dbraw/zinc/37/26/64/954372664.db2.gz YAMAHOUGILOKTC-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001326875888 954597141 /nfs/dbraw/zinc/59/71/41/954597141.db2.gz SOLKFAQSKFFMHV-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001327258426 954797108 /nfs/dbraw/zinc/79/71/08/954797108.db2.gz QFXDRMQIFIUHQO-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001327903582 955107562 /nfs/dbraw/zinc/10/75/62/955107562.db2.gz OSDGWHPNIISXGK-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001493667650 972097720 /nfs/dbraw/zinc/09/77/20/972097720.db2.gz UOTMEHQHOJGQJU-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001491848457 955468231 /nfs/dbraw/zinc/46/82/31/955468231.db2.gz WXJHZKLQVLNSHC-CQSZACIVSA-N 2 0 277.412 1.096 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001328960912 955582690 /nfs/dbraw/zinc/58/26/90/955582690.db2.gz JTQAADHHPTVXSE-YMAMQOFZSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001493761349 972111212 /nfs/dbraw/zinc/11/12/12/972111212.db2.gz JAGRLPZXTFISEP-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001492102247 955629310 /nfs/dbraw/zinc/62/93/10/955629310.db2.gz VPDDHSDQIPBCFQ-CQSZACIVSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329102806 955685311 /nfs/dbraw/zinc/68/53/11/955685311.db2.gz HKWVKUCDJGGDKJ-ZIAGYGMSSA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001317276838 956014810 /nfs/dbraw/zinc/01/48/10/956014810.db2.gz TUGINZMYCOVDMT-ZDUSSCGKSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001494138596 972183468 /nfs/dbraw/zinc/18/34/68/972183468.db2.gz WSBJLKVYTCACFR-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCCC[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001316824298 956988805 /nfs/dbraw/zinc/98/88/05/956988805.db2.gz QIFYGYXLKOCAHU-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001331440286 957060124 /nfs/dbraw/zinc/06/01/24/957060124.db2.gz RRWKZHGJMBIPHB-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001316951401 957149893 /nfs/dbraw/zinc/14/98/93/957149893.db2.gz BLJSIIINLWSPJL-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]C(C)C)C2CC2)CC1 ZINC001317036036 957221118 /nfs/dbraw/zinc/22/11/18/957221118.db2.gz ZYXPZRWEBQHOPV-INIZCTEOSA-N 2 0 291.439 1.224 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001317189277 957334185 /nfs/dbraw/zinc/33/41/85/957334185.db2.gz IQYHATGDUFLQOP-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCC[NH2+]1 ZINC001332109542 957436281 /nfs/dbraw/zinc/43/62/81/957436281.db2.gz CBRGXXFTXULEMQ-AAEUAGOBSA-N 2 0 287.354 1.046 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001332205573 957476327 /nfs/dbraw/zinc/47/63/27/957476327.db2.gz KVCGXHYVWRAASI-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001317544013 957538950 /nfs/dbraw/zinc/53/89/50/957538950.db2.gz DLUNLDUFLUNNTF-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[N@@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001317876025 957708555 /nfs/dbraw/zinc/70/85/55/957708555.db2.gz RDFZQTFPRJAYJD-UHFFFAOYSA-N 2 0 291.439 1.132 10 30 CDEERP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001317988321 957845285 /nfs/dbraw/zinc/84/52/85/957845285.db2.gz VLOWURRAKRTHTN-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001318593823 958191444 /nfs/dbraw/zinc/19/14/44/958191444.db2.gz UKJLQSCZZXNQOA-UONOGXRCSA-N 2 0 269.433 1.633 10 30 CDEERP C=CCC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001318727787 958247634 /nfs/dbraw/zinc/24/76/34/958247634.db2.gz MZMYIAMLAZCRKM-BBRMVZONSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001368109198 958643883 /nfs/dbraw/zinc/64/38/83/958643883.db2.gz LGLCVCYOJIDJPL-GFCCVEGCSA-N 2 0 273.808 1.271 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001494988414 972364754 /nfs/dbraw/zinc/36/47/54/972364754.db2.gz ZDWXPEOQGIBSRZ-UONOGXRCSA-N 2 0 267.417 1.530 10 30 CDEERP C#CC[NH2+]C[C@@](C)(NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001495258960 972459506 /nfs/dbraw/zinc/45/95/06/972459506.db2.gz NPVMDKGXPWKUOX-DOTOQJQBSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CC ZINC001569342670 1169773793 /nfs/dbraw/zinc/77/37/93/1169773793.db2.gz JRHZHFGNLNXVPB-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001322192187 960127537 /nfs/dbraw/zinc/12/75/37/960127537.db2.gz FDOWGOKYUDUUMZ-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001341769660 963536533 /nfs/dbraw/zinc/53/65/33/963536533.db2.gz YKAWPMOZQWCXTP-UKRRQHHQSA-N 2 0 265.401 1.272 10 30 CDEERP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)CC[NH+](C)C ZINC001445617464 966258614 /nfs/dbraw/zinc/25/86/14/966258614.db2.gz SIMOCBCIDWWRAO-ZDUSSCGKSA-N 2 0 288.395 1.104 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001447889746 966918045 /nfs/dbraw/zinc/91/80/45/966918045.db2.gz AZMVRIGMIXKILC-NWDGAFQWSA-N 2 0 275.824 1.564 10 30 CDEERP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001448430895 967109540 /nfs/dbraw/zinc/10/95/40/967109540.db2.gz RIHHLAIRXHEHGV-ZSOGYDGISA-N 2 0 299.846 1.375 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001448773488 967250055 /nfs/dbraw/zinc/25/00/55/967250055.db2.gz OUHFXBDDVQQDIL-STQMWFEESA-N 2 0 287.835 1.517 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001542887185 967254125 /nfs/dbraw/zinc/25/41/25/967254125.db2.gz DNTNOAUGAAZGSD-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)CCC[NH2+]1 ZINC001356412464 969392246 /nfs/dbraw/zinc/39/22/46/969392246.db2.gz JRAOIAPEUSDFFN-TTZDDIAXSA-N 2 0 277.412 1.141 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC([NH3+])(CC)CC1 ZINC001522444995 970438553 /nfs/dbraw/zinc/43/85/53/970438553.db2.gz JIEMKHUUSIUUJD-LBPRGKRZSA-N 2 0 253.390 1.400 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001495560448 972538032 /nfs/dbraw/zinc/53/80/32/972538032.db2.gz SZGDYOHRYXRLFB-HZPDHXFCSA-N 2 0 291.439 1.485 10 30 CDEERP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001496734518 973074598 /nfs/dbraw/zinc/07/45/98/973074598.db2.gz GAKNIJNRXSRBCD-OAHLLOKOSA-N 2 0 281.444 1.683 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001497762763 973490460 /nfs/dbraw/zinc/49/04/60/973490460.db2.gz JRNLLXVAVIVVDF-FYCOFBDGSA-N 2 0 291.439 1.392 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001417982565 973512938 /nfs/dbraw/zinc/51/29/38/973512938.db2.gz JKDWXSHLZQYVPE-ZIAGYGMSSA-N 2 0 299.846 1.708 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001501720943 974631173 /nfs/dbraw/zinc/63/11/73/974631173.db2.gz UFGSNGFXYFDSOK-KKUMJFAQSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001502745051 974775399 /nfs/dbraw/zinc/77/53/99/974775399.db2.gz ORVTZISULIWZNW-GOEBONIOSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)CCC)CC1 ZINC001505790020 974989043 /nfs/dbraw/zinc/98/90/43/974989043.db2.gz LPYHKIFWBZLMCT-UHFFFAOYSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507026225 975298971 /nfs/dbraw/zinc/29/89/71/975298971.db2.gz ARUOXRUFRJMBMI-DZGCQCFKSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001507161068 975358724 /nfs/dbraw/zinc/35/87/24/975358724.db2.gz IDVVXPKIAYRWDD-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001507863153 975553370 /nfs/dbraw/zinc/55/33/70/975553370.db2.gz PCKNUROODSTDMO-OAHLLOKOSA-N 2 0 281.444 1.683 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001390718721 976452742 /nfs/dbraw/zinc/45/27/42/976452742.db2.gz YWSQBBSUMXITAA-STQMWFEESA-N 2 0 287.835 1.565 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001569810049 1170001367 /nfs/dbraw/zinc/00/13/67/1170001367.db2.gz FJMAKOLTILKVQL-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001403417824 976944136 /nfs/dbraw/zinc/94/41/36/976944136.db2.gz NXLWJSRNMCHDOU-JOCQHMNTSA-N 2 0 299.846 1.708 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001393029630 977679651 /nfs/dbraw/zinc/67/96/51/977679651.db2.gz AOCZWZDEXOFIOV-QWHCGFSZSA-N 2 0 287.835 1.660 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001691752169 1174000982 /nfs/dbraw/zinc/00/09/82/1174000982.db2.gz BXRRIUVTZYWVJV-WCVJEAGWSA-N 2 0 293.455 1.777 10 30 CDEERP C=CC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001570504611 1170172202 /nfs/dbraw/zinc/17/22/02/1170172202.db2.gz NADWJORBDXHVNT-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001570747241 1170266557 /nfs/dbraw/zinc/26/65/57/1170266557.db2.gz DLVHMTDUAMOYQD-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001570772312 1170277609 /nfs/dbraw/zinc/27/76/09/1170277609.db2.gz HFEMMTSSUHNLPQ-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001571296637 1170360614 /nfs/dbraw/zinc/36/06/14/1170360614.db2.gz DELXEJKUYGRKKF-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001571486361 1170450331 /nfs/dbraw/zinc/45/03/31/1170450331.db2.gz CWJQBNFILUAHDI-ZIAGYGMSSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001571493559 1170453598 /nfs/dbraw/zinc/45/35/98/1170453598.db2.gz SINSTBSJJBGEJT-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001571519962 1170462467 /nfs/dbraw/zinc/46/24/67/1170462467.db2.gz YYBONPMOMKNQFN-HUUCEWRRSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001571547815 1170472376 /nfs/dbraw/zinc/47/23/76/1170472376.db2.gz HFYFYDUTAHYCLK-ZIAGYGMSSA-N 2 0 277.412 1.143 10 30 CDEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001571663664 1170513772 /nfs/dbraw/zinc/51/37/72/1170513772.db2.gz BJYRATXEBCNRHP-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001656169996 1171781607 /nfs/dbraw/zinc/78/16/07/1171781607.db2.gz JACKIIMMLHNCFJ-OAGGEKHMSA-N 2 0 293.455 1.779 10 30 CDEERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441584 342907500 /nfs/dbraw/zinc/90/75/00/342907500.db2.gz SWBRDSATEQSUEW-GJZGRUSLSA-N 2 0 294.443 1.778 10 30 CDEERP C[C@H](CC[NH2+]C[C@@H](O)CC1(C#N)CC1)[NH+]1CCCCC1 ZINC000600733650 342246011 /nfs/dbraw/zinc/24/60/11/342246011.db2.gz FKQLMAZBLVXOSJ-CABCVRRESA-N 2 0 279.428 1.895 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000594436970 342903814 /nfs/dbraw/zinc/90/38/14/342903814.db2.gz RVUUMKAEJKLVIW-AWEZNQCLSA-N 2 0 272.352 1.640 10 30 CDEERP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)CC1(C)C ZINC000598961878 343929956 /nfs/dbraw/zinc/92/99/56/343929956.db2.gz ZUEGXPFOEBOTDL-CQSZACIVSA-N 2 0 264.417 1.437 10 30 CDEERP CN(CC#CC[NH+]1CCCC1)C(=O)CCCCCC[NH3+] ZINC000027858003 346052611 /nfs/dbraw/zinc/05/26/11/346052611.db2.gz YRYKHAXFOPZIGS-UHFFFAOYSA-N 2 0 279.428 1.453 10 30 CDEERP C=CCOc1ccccc1C[N@H+](C)CCOCC[NH3+] ZINC000629663239 363318134 /nfs/dbraw/zinc/31/81/34/363318134.db2.gz LAJMEKPFNUBZQA-UHFFFAOYSA-N 2 0 264.369 1.659 10 30 CDEERP N#CC1(C[C@@H](O)C[NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000600733047 358706038 /nfs/dbraw/zinc/70/60/38/358706038.db2.gz GQBBYGDRXUCRRC-OAHLLOKOSA-N 2 0 277.412 1.505 10 30 CDEERP CC(C)[N@@H+]1CC[C@@H](CNCc2nc(C#N)cs2)C1 ZINC000386384370 366986909 /nfs/dbraw/zinc/98/69/09/366986909.db2.gz SFNAZWSJURSOHE-NSHDSACASA-N 2 0 264.398 1.835 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001661938477 1172469714 /nfs/dbraw/zinc/46/97/14/1172469714.db2.gz ULBKQMWCOCKJRU-OAHLLOKOSA-N 2 0 288.395 1.267 10 30 CDEERP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCn2ccnc21 ZINC000328598634 375918952 /nfs/dbraw/zinc/91/89/52/375918952.db2.gz BHOPYQYUFPUEET-QWHCGFSZSA-N 2 0 291.399 1.358 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001662350852 1172533753 /nfs/dbraw/zinc/53/37/53/1172533753.db2.gz NYDGPPRGGSKXDX-KGLIPLIRSA-N 2 0 267.417 1.530 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001662779433 1172593153 /nfs/dbraw/zinc/59/31/53/1172593153.db2.gz NICIPDHIPJPLDW-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[N@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001663644996 1172736030 /nfs/dbraw/zinc/73/60/30/1172736030.db2.gz NSFBUFGMHXFGBI-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP C#CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001664557436 1172867350 /nfs/dbraw/zinc/86/73/50/1172867350.db2.gz CIUFIWRIWFOGEA-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662690862 413318229 /nfs/dbraw/zinc/31/82/29/413318229.db2.gz ONEATFQKJAEFJS-WBVHZDCISA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001664818821 1172917246 /nfs/dbraw/zinc/91/72/46/1172917246.db2.gz WOKLDCHGLNJXPU-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001665642220 1173029403 /nfs/dbraw/zinc/02/94/03/1173029403.db2.gz OSCXMTFUZSZIKD-HNNXBMFYSA-N 2 0 279.428 1.580 10 30 CDEERP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020315963 171146091 /nfs/dbraw/zinc/14/60/91/171146091.db2.gz SQKFSVSUWMEXBI-ZIAGYGMSSA-N 2 0 269.433 1.777 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662845552 413598105 /nfs/dbraw/zinc/59/81/05/413598105.db2.gz JKNFAPMMFPPJOU-RHSMWYFYSA-N 2 0 293.455 1.921 10 30 CDEERP COCC[N@H+](Cc1ccc(C#CC[NH3+])s1)[C@@H](C)COC ZINC000043684199 175092903 /nfs/dbraw/zinc/09/29/03/175092903.db2.gz OCGIPJJHQBYYPW-ZDUSSCGKSA-N 2 0 296.436 1.542 10 30 CDEERP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1sccc1C#CC[NH3+] ZINC000043684121 175093042 /nfs/dbraw/zinc/09/30/42/175093042.db2.gz XYCDUAUTKOWBNX-AAEUAGOBSA-N 2 0 291.420 1.144 10 30 CDEERP [NH3+]CC#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000044679153 175228442 /nfs/dbraw/zinc/22/84/42/175228442.db2.gz MIMXUUTUWXULJH-LLVKDONJSA-N 2 0 289.404 1.025 10 30 CDEERP CN[C@@](C)(C#N)CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315758 175358454 /nfs/dbraw/zinc/35/84/54/175358454.db2.gz LSKDSYUKNPRHGF-OAHLLOKOSA-N 2 0 266.433 1.542 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001666546593 1173150471 /nfs/dbraw/zinc/15/04/71/1173150471.db2.gz KSYPZGWACKDBNI-HIFRSBDPSA-N 2 0 279.428 1.246 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001666673536 1173169591 /nfs/dbraw/zinc/16/95/91/1173169591.db2.gz QASMPZCTZPADAP-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001667111741 1173236617 /nfs/dbraw/zinc/23/66/17/1173236617.db2.gz GHDOYMNATTZKIQ-GJZGRUSLSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001667211153 1173245543 /nfs/dbraw/zinc/24/55/43/1173245543.db2.gz RDFXNJKFWJDISV-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001668117130 1173371405 /nfs/dbraw/zinc/37/14/05/1173371405.db2.gz DCMWALWCKGJQBL-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP CN(C(=[NH2+])NC1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000262468553 330015091 /nfs/dbraw/zinc/01/50/91/330015091.db2.gz OERLWHGIRXKQHB-UHFFFAOYSA-N 2 0 250.390 1.412 10 30 CDEERP N#CCCC[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000580433014 330132213 /nfs/dbraw/zinc/13/22/13/330132213.db2.gz ANDNTKZWLRZMPS-LSDHHAIUSA-N 2 0 286.379 1.092 10 30 CDEERP C(#CC[N@@H+]1C[C@@H]2C[C@H]1CS2)CN1C[C@@H]2C[C@H]1CS2 ZINC000459794716 331301376 /nfs/dbraw/zinc/30/13/76/331301376.db2.gz NKEOVFHNKINNGR-XUXIUFHCSA-N 2 0 280.462 1.369 10 30 CDEERP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000248748158 334315640 /nfs/dbraw/zinc/31/56/40/334315640.db2.gz BMDMEKFCYJFJRT-ILXRZTDVSA-N 2 0 265.401 1.505 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268068004 1159774194 /nfs/dbraw/zinc/77/41/94/1159774194.db2.gz IFIBOZSPWGMMBK-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C ZINC001725730810 1182113552 /nfs/dbraw/zinc/11/35/52/1182113552.db2.gz YIRLCYKQZHCKAJ-UHFFFAOYSA-N 2 0 267.417 1.130 10 30 CDEERP CCN[C@@](C)(C#N)C[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068616256 520127879 /nfs/dbraw/zinc/12/78/79/520127879.db2.gz HWKAEDOMWUHVBC-GDBMZVCRSA-N 2 0 280.460 1.930 10 30 CDEERP CN1CCC([N@H+](C)Cc2ccc(F)c(C#CC[NH3+])c2)CC1 ZINC000049608603 523239947 /nfs/dbraw/zinc/23/99/47/523239947.db2.gz AIAAYJYTNJUQDH-UHFFFAOYSA-N 2 0 289.398 1.662 10 30 CDEERP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CC[C@@H](C)C1 ZINC000049609463 523514319 /nfs/dbraw/zinc/51/43/19/523514319.db2.gz SJXZHOWZEMGHQB-CYBMUJFWSA-N 2 0 258.365 1.847 10 30 CDEERP C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000049561919 524471887 /nfs/dbraw/zinc/47/18/87/524471887.db2.gz ROCHFPPVASWPHD-ZDUSSCGKSA-N 2 0 273.380 1.067 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001690278314 1175421957 /nfs/dbraw/zinc/42/19/57/1175421957.db2.gz DBZMVOKWVQHTIN-RBSFLKMASA-N 2 0 279.428 1.674 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000899982471 622597716 /nfs/dbraw/zinc/59/77/16/622597716.db2.gz KWNAGKIVJXWSAS-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902729135 625277555 /nfs/dbraw/zinc/27/75/55/625277555.db2.gz FGJRPANNEZMAQV-AWEZNQCLSA-N 2 0 287.411 1.241 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000876876754 630579077 /nfs/dbraw/zinc/57/90/77/630579077.db2.gz ULYDDQOTHZWIJU-RYUDHWBXSA-N 2 0 273.808 1.399 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000914411706 631412666 /nfs/dbraw/zinc/41/26/66/631412666.db2.gz MFQLRZNZUKUMQQ-CQSZACIVSA-N 2 0 294.443 1.114 10 30 CDEERP C=CCCC[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001725070616 1158997690 /nfs/dbraw/zinc/99/76/90/1158997690.db2.gz OUTQVBYJJWXNBJ-UHFFFAOYSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001266994322 1159073173 /nfs/dbraw/zinc/07/31/73/1159073173.db2.gz LEHISLAXPLZHFX-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1CC ZINC001670586949 1158654288 /nfs/dbraw/zinc/65/42/88/1158654288.db2.gz CTDDSFFMZIHSAG-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001691208949 1158956132 /nfs/dbraw/zinc/95/61/32/1158956132.db2.gz LZLIKMMMKBQPHW-MRXNPFEDSA-N 2 0 291.439 1.485 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001268375617 1159913400 /nfs/dbraw/zinc/91/34/00/1159913400.db2.gz VGXZPDJVWWWBIF-STQMWFEESA-N 2 0 255.406 1.243 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001482551541 1160379791 /nfs/dbraw/zinc/37/97/91/1160379791.db2.gz REWNQJDXXADIJQ-HNNXBMFYSA-N 2 0 281.444 1.635 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273010579 1161476791 /nfs/dbraw/zinc/47/67/91/1161476791.db2.gz PIUXNIOAIINCOL-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001618117605 1165620452 /nfs/dbraw/zinc/62/04/52/1165620452.db2.gz VWQNBQBXEFHZGW-AWEZNQCLSA-N 2 0 265.401 1.049 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000876867808 1165930114 /nfs/dbraw/zinc/93/01/14/1165930114.db2.gz MQHFYUOTVFDGSR-MNOVXSKESA-N 2 0 259.781 1.105 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001627276575 1165987328 /nfs/dbraw/zinc/98/73/28/1165987328.db2.gz WEXFFEZECVTNHQ-JYJNAYRXSA-N 2 0 293.455 1.968 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001630637363 1166219239 /nfs/dbraw/zinc/21/92/39/1166219239.db2.gz ZFWXELFAHYBEKN-OAHLLOKOSA-N 2 0 279.428 1.295 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001567094360 1168558807 /nfs/dbraw/zinc/55/88/07/1168558807.db2.gz OPTKMDOZPVVNNT-LSDHHAIUSA-N 2 0 277.412 1.073 10 30 CDEERP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001567175225 1168606088 /nfs/dbraw/zinc/60/60/88/1168606088.db2.gz WUKURFGAQCNDHM-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567730834 1168940525 /nfs/dbraw/zinc/94/05/25/1168940525.db2.gz FJPDHXCIMWLMRK-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001568430974 1169283992 /nfs/dbraw/zinc/28/39/92/1169283992.db2.gz CKWKJOYYHYZRPP-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001569099085 1169644138 /nfs/dbraw/zinc/64/41/38/1169644138.db2.gz PTDPHTNNMZVNII-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001569671356 1169962864 /nfs/dbraw/zinc/96/28/64/1169962864.db2.gz LFAZSSHINUHHDV-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001570054745 1170065686 /nfs/dbraw/zinc/06/56/86/1170065686.db2.gz CKGGAVKOAZQMDN-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001570852389 1170300616 /nfs/dbraw/zinc/30/06/16/1170300616.db2.gz USJABCXNGSWZEG-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001663184707 1172651055 /nfs/dbraw/zinc/65/10/55/1172651055.db2.gz AQRGAALXQVNENI-RBSFLKMASA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)C(C)C)C1 ZINC001664685828 1172886851 /nfs/dbraw/zinc/88/68/51/1172886851.db2.gz FEZYDPPPDQISEO-MRXNPFEDSA-N 2 0 293.455 1.663 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC001586975571 1172967351 /nfs/dbraw/zinc/96/73/51/1172967351.db2.gz ZWTSTZKHTSZOHQ-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001668279746 1173391178 /nfs/dbraw/zinc/39/11/78/1173391178.db2.gz XDRLZRLLPRCVPP-OLZOCXBDSA-N 2 0 255.406 1.387 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001669399524 1173546203 /nfs/dbraw/zinc/54/62/03/1173546203.db2.gz BURGJCOUSDTUFU-CQSZACIVSA-N 2 0 289.423 1.685 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001671805515 1173713379 /nfs/dbraw/zinc/71/33/79/1173713379.db2.gz SPSGECISFAVPCW-QGZVFWFLSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001676817443 1174277594 /nfs/dbraw/zinc/27/75/94/1174277594.db2.gz YHPJZTKPYATLRX-GOEBONIOSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001689318982 1175144080 /nfs/dbraw/zinc/14/40/80/1175144080.db2.gz XQWSYPJBRLAFSD-KGLIPLIRSA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001690458944 1175476360 /nfs/dbraw/zinc/47/63/60/1175476360.db2.gz JMEQEJPAWKFCJD-OAHLLOKOSA-N 2 0 277.412 1.076 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001690477503 1175479630 /nfs/dbraw/zinc/47/96/30/1175479630.db2.gz QBAJUUIMOKBZRV-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001690543186 1175490677 /nfs/dbraw/zinc/49/06/77/1175490677.db2.gz RVNXGYYGOHIPMZ-UHFFFAOYSA-N 2 0 289.423 1.123 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]C/C=C/Cl)CC1 ZINC001690650563 1175536988 /nfs/dbraw/zinc/53/69/88/1175536988.db2.gz MSGKSGWIOFMOAA-WXJAXGNASA-N 2 0 297.830 1.178 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001691861079 1175637701 /nfs/dbraw/zinc/63/77/01/1175637701.db2.gz PZCBMKMMSACUJX-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[N@H+]1CC[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001691924684 1175652741 /nfs/dbraw/zinc/65/27/41/1175652741.db2.gz LLVZAYFYZKGBIR-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001692198710 1175700239 /nfs/dbraw/zinc/70/02/39/1175700239.db2.gz DPZYURQSZUGGCB-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CCC ZINC001692382281 1175754927 /nfs/dbraw/zinc/75/49/27/1175754927.db2.gz HHLMOPYSVKKDQE-GJZGRUSLSA-N 2 0 277.412 1.027 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001698618587 1175875075 /nfs/dbraw/zinc/87/50/75/1175875075.db2.gz LIUSEGRVIWVZFM-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001698861836 1175968847 /nfs/dbraw/zinc/96/88/47/1175968847.db2.gz SPQFFMNMMPLBDO-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001698861857 1175969225 /nfs/dbraw/zinc/96/92/25/1175969225.db2.gz SUJUAJQEMIJSAC-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001699405820 1176372404 /nfs/dbraw/zinc/37/24/04/1176372404.db2.gz KNDBVEFRHLKFPC-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCCC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001699641471 1176540686 /nfs/dbraw/zinc/54/06/86/1176540686.db2.gz CGBVCTQTLKOWAE-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001699864829 1176661304 /nfs/dbraw/zinc/66/13/04/1176661304.db2.gz FIWJVKUIWSMANS-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001700378918 1176883874 /nfs/dbraw/zinc/88/38/74/1176883874.db2.gz CVIVADONITXBPI-FHERZECASA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001700450844 1176937169 /nfs/dbraw/zinc/93/71/69/1176937169.db2.gz DOOJGAVJTISTLI-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001713063638 1178340969 /nfs/dbraw/zinc/34/09/69/1178340969.db2.gz OERPMKDYZSBUKC-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001713098378 1178365199 /nfs/dbraw/zinc/36/51/99/1178365199.db2.gz MJASXIPEIICKAO-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001713172784 1178411973 /nfs/dbraw/zinc/41/19/73/1178411973.db2.gz GGGLWUMRZZNXDO-FZKCQIBNSA-N 2 0 293.455 1.920 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713202846 1178429271 /nfs/dbraw/zinc/42/92/71/1178429271.db2.gz SNDDMIBYOWQFNG-OWCLPIDISA-N 2 0 291.439 1.509 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713247326 1178451461 /nfs/dbraw/zinc/45/14/61/1178451461.db2.gz XOMZXGOLDZGTKK-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001713324083 1178497869 /nfs/dbraw/zinc/49/78/69/1178497869.db2.gz CDDMOQAGMPQVKA-GFCCVEGCSA-N 2 0 285.351 1.161 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001713759719 1178741772 /nfs/dbraw/zinc/74/17/72/1178741772.db2.gz PMPPHGCACHTIQL-MRXNPFEDSA-N 2 0 293.455 1.522 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001713872468 1178806091 /nfs/dbraw/zinc/80/60/91/1178806091.db2.gz QAVDCJGANPIKBB-HNNXBMFYSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001714003716 1178923234 /nfs/dbraw/zinc/92/32/34/1178923234.db2.gz KDPNOLASIJHENV-CABCVRRESA-N 2 0 297.418 1.222 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001714067126 1178957189 /nfs/dbraw/zinc/95/71/89/1178957189.db2.gz OMZGABWVUDFSAP-QLFBSQMISA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001714155946 1178994300 /nfs/dbraw/zinc/99/43/00/1178994300.db2.gz LLVKPSCCZIRDNM-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001714306306 1179077428 /nfs/dbraw/zinc/07/74/28/1179077428.db2.gz VHRMBIPSCYTLJV-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001714812133 1179407325 /nfs/dbraw/zinc/40/73/25/1179407325.db2.gz KVGCVWFPPDJONR-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001714977789 1179488283 /nfs/dbraw/zinc/48/82/83/1179488283.db2.gz ZLAOUXJHIZYQSL-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001714980943 1179488568 /nfs/dbraw/zinc/48/85/68/1179488568.db2.gz FOMINXDTPBBOPD-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001715126727 1179559855 /nfs/dbraw/zinc/55/98/55/1179559855.db2.gz GWLXEAWGCMQDRC-GOEBONIOSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001715188858 1179573568 /nfs/dbraw/zinc/57/35/68/1179573568.db2.gz CPBYMSBOCLFYSR-SHTZXODSSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001715202033 1179575893 /nfs/dbraw/zinc/57/58/93/1179575893.db2.gz MKODKODBOQJFFE-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715368854 1179645693 /nfs/dbraw/zinc/64/56/93/1179645693.db2.gz KWBXRFKFMKGXCQ-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001715506948 1179687359 /nfs/dbraw/zinc/68/73/59/1179687359.db2.gz NTENPSOCCXVTGL-LSDHHAIUSA-N 2 0 281.444 1.326 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]C[C@H](C)CC)CC1 ZINC001715963284 1179944967 /nfs/dbraw/zinc/94/49/67/1179944967.db2.gz XHLLTWAPLSZJBE-HUUCEWRRSA-N 2 0 293.455 1.472 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716042560 1180016938 /nfs/dbraw/zinc/01/69/38/1180016938.db2.gz QMZGFJHSKGRYSV-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001716224399 1180110530 /nfs/dbraw/zinc/11/05/30/1180110530.db2.gz FIPYAXIDVZWSRH-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001716339717 1180160846 /nfs/dbraw/zinc/16/08/46/1180160846.db2.gz KWSMXFQFDHANNU-LFAOLKIESA-N 2 0 293.455 1.945 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001716579537 1180292875 /nfs/dbraw/zinc/29/28/75/1180292875.db2.gz UTOWYJXDPJTQPF-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001716963056 1180483322 /nfs/dbraw/zinc/48/33/22/1180483322.db2.gz JEYAPQZYTBWARJ-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001716993400 1180495082 /nfs/dbraw/zinc/49/50/82/1180495082.db2.gz IVWRZEXZPGEBDV-LSDHHAIUSA-N 2 0 279.428 1.036 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001717124722 1180536659 /nfs/dbraw/zinc/53/66/59/1180536659.db2.gz RZURCVKRENHRSW-SHTZXODSSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001717337480 1180620085 /nfs/dbraw/zinc/62/00/85/1180620085.db2.gz KWRMGQLNYOWQCN-KGLIPLIRSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001717901098 1180920125 /nfs/dbraw/zinc/92/01/25/1180920125.db2.gz VZNJSZNKNLYESJ-HNNXBMFYSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001717971337 1180952956 /nfs/dbraw/zinc/95/29/56/1180952956.db2.gz JMYHCNSYBJCIRG-ZIAGYGMSSA-N 2 0 279.428 1.082 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001723825262 1181606657 /nfs/dbraw/zinc/60/66/57/1181606657.db2.gz FYMJPQIWWQVEDG-AWEZNQCLSA-N 2 0 281.444 1.824 10 30 CDEERP C#CC[N@H+]1CCC[C@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001724343075 1181666761 /nfs/dbraw/zinc/66/67/61/1181666761.db2.gz OTIVLYXSMYDLQG-QGZVFWFLSA-N 2 0 293.455 1.570 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001724940583 1181801597 /nfs/dbraw/zinc/80/15/97/1181801597.db2.gz WYROEPQNTBKUGY-LSDHHAIUSA-N 2 0 289.423 1.075 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC=C)CC1 ZINC001725131018 1181877613 /nfs/dbraw/zinc/87/76/13/1181877613.db2.gz SIWBCDAZVBRIRG-KBPBESRZSA-N 2 0 277.412 1.000 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001725357054 1181970967 /nfs/dbraw/zinc/97/09/67/1181970967.db2.gz PFVQBVBDKZKHRN-VGWMRTNUSA-N 2 0 293.455 1.920 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001725418249 1181994090 /nfs/dbraw/zinc/99/40/90/1181994090.db2.gz RTROVAZPMPBWKU-KBPBESRZSA-N 2 0 267.417 1.224 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC1(C)C ZINC001725677191 1182094703 /nfs/dbraw/zinc/09/47/03/1182094703.db2.gz NGMGHWIUFJSDSE-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)C ZINC001725752078 1182121697 /nfs/dbraw/zinc/12/16/97/1182121697.db2.gz LAIOVSXCBZRTIG-OAHLLOKOSA-N 2 0 295.471 1.862 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731484368 1182413283 /nfs/dbraw/zinc/41/32/83/1182413283.db2.gz UHLYZGKTBBPCOR-OKILXGFUSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001731583395 1182460680 /nfs/dbraw/zinc/46/06/80/1182460680.db2.gz WMWUWUVBQNUNKZ-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001732489154 1182987125 /nfs/dbraw/zinc/98/71/25/1182987125.db2.gz STSGISMUWLDRBH-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001732524931 1182995662 /nfs/dbraw/zinc/99/56/62/1182995662.db2.gz OSMNGPJOPZNLJL-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001732563415 1183011213 /nfs/dbraw/zinc/01/12/13/1183011213.db2.gz SNLNGGQZQTVXGE-HOTGVXAUSA-N 2 0 293.455 1.635 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732776193 1183122301 /nfs/dbraw/zinc/12/23/01/1183122301.db2.gz HGGAQEXRAMJZSU-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001732999656 1183230473 /nfs/dbraw/zinc/23/04/73/1183230473.db2.gz FFUGWTIOJBVZOK-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001733146271 1183306730 /nfs/dbraw/zinc/30/67/30/1183306730.db2.gz GWVIERIANUUTQQ-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001733540369 1183459430 /nfs/dbraw/zinc/45/94/30/1183459430.db2.gz UYOTUEVEIXRLNA-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001733605143 1183478205 /nfs/dbraw/zinc/47/82/05/1183478205.db2.gz ZXJBMNXFOFTJBW-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001733851538 1183548777 /nfs/dbraw/zinc/54/87/77/1183548777.db2.gz LMQZIDSKEJTRSH-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733984747 1183601801 /nfs/dbraw/zinc/60/18/01/1183601801.db2.gz MNMYYEZKLDUSKM-ZIAGYGMSSA-N 2 0 281.444 1.920 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001734456752 1183785817 /nfs/dbraw/zinc/78/58/17/1183785817.db2.gz HNLWMPJUXOUHMO-GDBMZVCRSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[C@H](C(=O)OC)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000877969525 754683609 /nfs/dbraw/zinc/68/36/09/754683609.db2.gz CVRQKXQTQJPTJB-OAHLLOKOSA-N 2 0 296.411 1.148 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876842807 754700412 /nfs/dbraw/zinc/70/04/12/754700412.db2.gz LQLYSLUBBVDOJN-WCQYABFASA-N 2 0 271.792 1.058 10 30 CDEERP CN(CCC#N)C[C@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000872229774 754980946 /nfs/dbraw/zinc/98/09/46/754980946.db2.gz SZWNDFQFZMSKSI-HWOWSKLDSA-N 2 0 296.459 1.045 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000852860340 755575533 /nfs/dbraw/zinc/57/55/33/755575533.db2.gz CCWCIOVGBMIYRP-INIZCTEOSA-N 2 0 289.423 1.076 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000876717866 755596094 /nfs/dbraw/zinc/59/60/94/755596094.db2.gz LEYPCIZLVSNIPK-CYBMUJFWSA-N 2 0 285.819 1.543 10 30 CDEERP CCC[NH+]1CCC(CNC(=[NH2+])N[C@H](C)COC)CC1 ZINC000303877641 755864331 /nfs/dbraw/zinc/86/43/31/755864331.db2.gz IUWBNNZMMAUGND-GFCCVEGCSA-N 2 0 270.421 1.048 10 30 CDEERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000848676197 755890550 /nfs/dbraw/zinc/89/05/50/755890550.db2.gz KLXHKJKZEASCIM-IMJJTQAJSA-N 2 0 273.380 1.521 10 30 CDEERP C#CCCC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879126071 755958898 /nfs/dbraw/zinc/95/88/98/755958898.db2.gz RIHYBWOBFNWWKK-UHFFFAOYSA-N 2 0 252.402 1.690 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000876722852 756098202 /nfs/dbraw/zinc/09/82/02/756098202.db2.gz GSRLTDZLQVZTFR-NEPJUHHUSA-N 2 0 273.808 1.447 10 30 CDEERP C#CCC1([NH2+]CC(=O)NC2CC[NH+](C)CC2)CCCCC1 ZINC000933266252 756284967 /nfs/dbraw/zinc/28/49/67/756284967.db2.gz SYDKAORNBDRLTA-UHFFFAOYSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000878311686 756418873 /nfs/dbraw/zinc/41/88/73/756418873.db2.gz UROSWSFUDYQJID-CQSZACIVSA-N 2 0 253.434 1.909 10 30 CDEERP [NH2+]=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC1 ZINC000195165132 756595364 /nfs/dbraw/zinc/59/53/64/756595364.db2.gz QKPBXUKEVQZYAB-AWEZNQCLSA-N 2 0 272.396 1.575 10 30 CDEERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csc(C#N)c1 ZINC000922011229 757044829 /nfs/dbraw/zinc/04/48/29/757044829.db2.gz JITUWRVYXWHEAU-CYBMUJFWSA-N 2 0 292.452 1.735 10 30 CDEERP C=CC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926152538 757082502 /nfs/dbraw/zinc/08/25/02/757082502.db2.gz IOUJPDYOMZJOSO-AVOUXACISA-N 2 0 268.401 1.155 10 30 CDEERP C=CCCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550542 758241041 /nfs/dbraw/zinc/24/10/41/758241041.db2.gz ZFBKONRCHAVERU-KGLIPLIRSA-N 2 0 279.384 1.210 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1 ZINC000303792258 758271420 /nfs/dbraw/zinc/27/14/20/758271420.db2.gz YIPZTCBNKZGBCY-OWCLPIDISA-N 2 0 286.423 1.931 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000876850871 758588881 /nfs/dbraw/zinc/58/88/81/758588881.db2.gz DFMJELYDVIZUMS-WCQYABFASA-N 2 0 271.792 1.058 10 30 CDEERP C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879572278 758830937 /nfs/dbraw/zinc/83/09/37/758830937.db2.gz OKILKQHLIQWIPC-ARFHVFGLSA-N 2 0 291.439 1.602 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001568545866 1167536524 /nfs/dbraw/zinc/53/65/24/1167536524.db2.gz UJDHQXFYZQGTOL-UONOGXRCSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001566111023 1168236619 /nfs/dbraw/zinc/23/66/19/1168236619.db2.gz MHQASAZOVOYKEN-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001566103348 1168238562 /nfs/dbraw/zinc/23/85/62/1168238562.db2.gz GFJGXLXBSLIECQ-ILXRZTDVSA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001566629188 1168363447 /nfs/dbraw/zinc/36/34/47/1168363447.db2.gz UOVOTBLXYZMLJI-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001272300247 912726997 /nfs/dbraw/zinc/72/69/97/912726997.db2.gz FLSXCMBAPZLQGE-CVEARBPZSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001567222096 1168626943 /nfs/dbraw/zinc/62/69/43/1168626943.db2.gz SOVGKTUUMIWAPX-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001266770410 896013691 /nfs/dbraw/zinc/01/36/91/896013691.db2.gz VUXKDCJUBMAMSR-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001567524449 1168830074 /nfs/dbraw/zinc/83/00/74/1168830074.db2.gz RVSBFWADJBQJTA-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001266915637 896335192 /nfs/dbraw/zinc/33/51/92/896335192.db2.gz BBPULOYYONYNEX-UYSNPLJNSA-N 2 0 293.455 1.613 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266986860 896501995 /nfs/dbraw/zinc/50/19/95/896501995.db2.gz DHYAGNDNACMXLP-CHWSQXEVSA-N 2 0 255.406 1.243 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267045128 896627099 /nfs/dbraw/zinc/62/70/99/896627099.db2.gz NIXDLYUXFJYSED-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267083412 896727769 /nfs/dbraw/zinc/72/77/69/896727769.db2.gz YHKYDNFTEJXEMV-KBPBESRZSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267107826 896811794 /nfs/dbraw/zinc/81/17/94/896811794.db2.gz KABMKNLWCXTFPU-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267107825 896812719 /nfs/dbraw/zinc/81/27/19/896812719.db2.gz KABMKNLWCXTFPU-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001480935781 897755537 /nfs/dbraw/zinc/75/55/37/897755537.db2.gz RUYATGKZSYXEOL-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@H+]1CC[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001267569428 898405835 /nfs/dbraw/zinc/40/58/35/898405835.db2.gz VFDUOLDPOIZBQX-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267580413 898516779 /nfs/dbraw/zinc/51/67/79/898516779.db2.gz WMORZCVUJWAMFP-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001481044710 898679615 /nfs/dbraw/zinc/67/96/15/898679615.db2.gz SDGHYEHLWDFJHE-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001481136395 898963530 /nfs/dbraw/zinc/96/35/30/898963530.db2.gz BUMOZVVMVYVSFC-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267633675 899102169 /nfs/dbraw/zinc/10/21/69/899102169.db2.gz JOMCJXZEZZASIX-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]C[C@@](C)(NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001267857556 899881290 /nfs/dbraw/zinc/88/12/90/899881290.db2.gz BOADHYDOQDQSIH-RHSMWYFYSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001267944838 900017463 /nfs/dbraw/zinc/01/74/63/900017463.db2.gz NTIWFHDLAAUKAP-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001268032957 900659883 /nfs/dbraw/zinc/65/98/83/900659883.db2.gz FXWZGESVLTVQGM-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001268197149 901553285 /nfs/dbraw/zinc/55/32/85/901553285.db2.gz WDYFGHXXLFJKJI-GJZGRUSLSA-N 2 0 291.439 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001268288064 901753960 /nfs/dbraw/zinc/75/39/60/901753960.db2.gz IRHKQYPGDSCNSC-HUUCEWRRSA-N 2 0 291.439 1.533 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001481826647 902183739 /nfs/dbraw/zinc/18/37/39/902183739.db2.gz SUQIVHVVXMYZJU-AWEZNQCLSA-N 2 0 293.455 1.757 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001481882540 902260796 /nfs/dbraw/zinc/26/07/96/902260796.db2.gz SFEBJMSEVDYIAA-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001482002343 902458266 /nfs/dbraw/zinc/45/82/66/902458266.db2.gz HIXGSFYWBDLIND-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001268540011 902532717 /nfs/dbraw/zinc/53/27/17/902532717.db2.gz BDLVZINTKGZQOR-GJBLVYBDSA-N 2 0 265.401 1.307 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482063231 902580661 /nfs/dbraw/zinc/58/06/61/902580661.db2.gz IOJPZBNJYCUYRZ-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001268970033 903286757 /nfs/dbraw/zinc/28/67/57/903286757.db2.gz ULISCCXVPLWHKX-GJZGRUSLSA-N 2 0 291.439 1.273 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001269079931 903400350 /nfs/dbraw/zinc/40/03/50/903400350.db2.gz VRARHIRSACTXOE-AWEZNQCLSA-N 2 0 265.401 1.141 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001269432368 903801659 /nfs/dbraw/zinc/80/16/59/903801659.db2.gz KZYWMMVHYAUIGP-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269790712 904118101 /nfs/dbraw/zinc/11/81/01/904118101.db2.gz KBPIZBSOFHBKIO-CVEARBPZSA-N 2 0 295.471 1.977 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001284640588 904129890 /nfs/dbraw/zinc/12/98/90/904129890.db2.gz GONUVGREPROWOY-CABCVRRESA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001270840367 905125653 /nfs/dbraw/zinc/12/56/53/905125653.db2.gz NNAUYXRKEZTPET-GDBMZVCRSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCC)CC1 ZINC001271218247 906186968 /nfs/dbraw/zinc/18/69/68/906186968.db2.gz XPXMFSJPLWZMHA-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001271600626 906537611 /nfs/dbraw/zinc/53/76/11/906537611.db2.gz SKKQSKDJDTYUAA-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001271720703 906633731 /nfs/dbraw/zinc/63/37/31/906633731.db2.gz FLHIYKJPGUYSOW-LSDHHAIUSA-N 2 0 279.428 1.034 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001271862535 906911444 /nfs/dbraw/zinc/91/14/44/906911444.db2.gz YSINFQGSSJGYJG-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001271923274 906985504 /nfs/dbraw/zinc/98/55/04/906985504.db2.gz SODRUIGFVXFLGG-KGLIPLIRSA-N 2 0 267.417 1.080 10 30 CDEERP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001272085481 908164910 /nfs/dbraw/zinc/16/49/10/908164910.db2.gz OYXODAFMAPNLGA-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001483067500 909250743 /nfs/dbraw/zinc/25/07/43/909250743.db2.gz DUERVGMFRHSQKF-WCYDHSITSA-N 2 0 277.412 1.451 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001483096579 909333214 /nfs/dbraw/zinc/33/32/14/909333214.db2.gz CRSNQFXZPUCPRN-SREVYHEPSA-N 2 0 299.418 1.647 10 30 CDEERP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001483812154 915096970 /nfs/dbraw/zinc/09/69/70/915096970.db2.gz KSUZIZTZEAXJMI-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001483865751 915140726 /nfs/dbraw/zinc/14/07/26/915140726.db2.gz XYXNSCMGELQETM-INIZCTEOSA-N 2 0 291.439 1.437 10 30 CDEERP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484549586 915878410 /nfs/dbraw/zinc/87/84/10/915878410.db2.gz KWMGFBKYIDJKKV-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1 ZINC001484634274 915964776 /nfs/dbraw/zinc/96/47/76/915964776.db2.gz INRXSCFXJAJCMA-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001568180468 1169164620 /nfs/dbraw/zinc/16/46/20/1169164620.db2.gz RBSHBBOALONWCM-OAHLLOKOSA-N 2 0 291.439 1.228 10 30 CDEERP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001484742679 916109108 /nfs/dbraw/zinc/10/91/08/916109108.db2.gz KOMOIMFSBBPRFP-HUUCEWRRSA-N 2 0 281.444 1.683 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001484747821 916131368 /nfs/dbraw/zinc/13/13/68/916131368.db2.gz ABQPQHNNHZYTOZ-UHFFFAOYSA-N 2 0 279.428 1.581 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001484909970 916263544 /nfs/dbraw/zinc/26/35/44/916263544.db2.gz QZMVPYXHLHHELD-KBPBESRZSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001137534641 936361077 /nfs/dbraw/zinc/36/10/77/936361077.db2.gz FQUNJZUQDHUVIT-AWEZNQCLSA-N 2 0 267.417 1.198 10 30 CDEERP C=CCCC[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485373761 916907634 /nfs/dbraw/zinc/90/76/34/916907634.db2.gz WHTHUPAWQQEMPG-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001485694373 917195383 /nfs/dbraw/zinc/19/53/83/917195383.db2.gz HATKNAGFKSVJQQ-JOCQHMNTSA-N 2 0 287.835 1.565 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001568295070 1169229702 /nfs/dbraw/zinc/22/97/02/1169229702.db2.gz NGGGUHJJOLRNSL-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491051282 936846818 /nfs/dbraw/zinc/84/68/18/936846818.db2.gz WSZDCWCRSHCNAI-BETUJISGSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491126445 936862041 /nfs/dbraw/zinc/86/20/41/936862041.db2.gz YGZFVBRYLWBRJD-GJZGRUSLSA-N 2 0 279.428 1.034 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CCC ZINC001489056178 926783555 /nfs/dbraw/zinc/78/35/55/926783555.db2.gz QJSIEXKQSLDITN-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001493043173 926906282 /nfs/dbraw/zinc/90/62/82/926906282.db2.gz NBPNFKKDDIGFJZ-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001490256078 927065539 /nfs/dbraw/zinc/06/55/39/927065539.db2.gz LAHQYBKRLVGZIT-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001568470853 1169303144 /nfs/dbraw/zinc/30/31/44/1169303144.db2.gz XGLOSRRKBPVYJI-CVEARBPZSA-N 2 0 293.455 1.470 10 30 CDEERP C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001274287120 931488001 /nfs/dbraw/zinc/48/80/01/931488001.db2.gz NNPZAPODFWIAOD-KIUWMYQTSA-N 2 0 279.428 1.699 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001144790371 932022290 /nfs/dbraw/zinc/02/22/90/932022290.db2.gz GHRNTLLKGDDKIZ-AWEZNQCLSA-N 2 0 265.401 1.191 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001671246711 1169433766 /nfs/dbraw/zinc/43/37/66/1169433766.db2.gz WLMAOMBKYGVUIZ-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001276468902 939767410 /nfs/dbraw/zinc/76/74/10/939767410.db2.gz OCDZTHHNUZQRMC-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277149104 942053106 /nfs/dbraw/zinc/05/31/06/942053106.db2.gz ZGCAAKXITDLKKK-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001280769467 942483253 /nfs/dbraw/zinc/48/32/53/942483253.db2.gz HGIGUINDPYLPKU-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001281991200 942641387 /nfs/dbraw/zinc/64/13/87/942641387.db2.gz SOEXMGQXZMGENJ-JXQTWKCFSA-N 2 0 265.401 1.141 10 30 CDEERP C#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001282399075 942706654 /nfs/dbraw/zinc/70/66/54/942706654.db2.gz QSPIDCYMGGMAHC-GDBMZVCRSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001282740299 942747418 /nfs/dbraw/zinc/74/74/18/942747418.db2.gz YYWGQIUNMDMRLU-GXTWGEPZSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001284153473 943090680 /nfs/dbraw/zinc/09/06/80/943090680.db2.gz KZFFPGJOMHEDEB-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001284976390 943303961 /nfs/dbraw/zinc/30/39/61/943303961.db2.gz GUWYEVXKFUNTHE-MRXNPFEDSA-N 2 0 293.455 1.897 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001265367654 944360332 /nfs/dbraw/zinc/36/03/32/944360332.db2.gz AWCZXGTWKLOGSZ-CWRNSKLLSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001265655969 944459158 /nfs/dbraw/zinc/45/91/58/944459158.db2.gz SUDGAQYZWWPKCE-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001265654410 944459729 /nfs/dbraw/zinc/45/97/29/944459729.db2.gz UEZJUJPHKLGAEF-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001331936490 947607939 /nfs/dbraw/zinc/60/79/39/947607939.db2.gz CCNJOWNMLWXWAK-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001278450082 948199836 /nfs/dbraw/zinc/19/98/36/948199836.db2.gz BAFXJEYANWIIMD-IJEWVQPXSA-N 2 0 277.412 1.073 10 30 CDEERP C=CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001278467648 948464488 /nfs/dbraw/zinc/46/44/88/948464488.db2.gz SUTAJRTYBSQJFC-GDBMZVCRSA-N 2 0 279.428 1.626 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001278488625 948669968 /nfs/dbraw/zinc/66/99/68/948669968.db2.gz WYRJIHKAIFGCSW-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001480020317 971541245 /nfs/dbraw/zinc/54/12/45/971541245.db2.gz RICKBTZTLCKAMM-LSDHHAIUSA-N 2 0 279.428 1.530 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)C1CC1 ZINC001480053557 971556063 /nfs/dbraw/zinc/55/60/63/971556063.db2.gz NPCGRIDAEPMCSF-RISCZKNCSA-N 2 0 276.384 1.259 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001278542606 949860631 /nfs/dbraw/zinc/86/06/31/949860631.db2.gz QYVOQBWIIKNBNW-INIZCTEOSA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001480320363 971669195 /nfs/dbraw/zinc/66/91/95/971669195.db2.gz UEZJUJPHKLGAEF-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001278612830 950465233 /nfs/dbraw/zinc/46/52/33/950465233.db2.gz GTUSEHUIWZAVMW-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001480410479 971707382 /nfs/dbraw/zinc/70/73/82/971707382.db2.gz LBBCRZTXIQPHNK-FHERZECASA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001278678089 951609115 /nfs/dbraw/zinc/60/91/15/951609115.db2.gz NJCLPTXDMAPIPY-QGZVFWFLSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001480666857 971832165 /nfs/dbraw/zinc/83/21/65/971832165.db2.gz ZPZAVJKPTCELGU-AWEZNQCLSA-N 2 0 279.428 1.036 10 30 CDEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001324903563 953627830 /nfs/dbraw/zinc/62/78/30/953627830.db2.gz ANFYXSYDMUJZAD-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001328459104 955300957 /nfs/dbraw/zinc/30/09/57/955300957.db2.gz MGQQEYDZFYIFJB-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001328458039 955301120 /nfs/dbraw/zinc/30/11/20/955301120.db2.gz CUHDOULOSRMGPQ-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001328941789 955568310 /nfs/dbraw/zinc/56/83/10/955568310.db2.gz TXEYPXDXVYKXEW-JXQTWKCFSA-N 2 0 267.417 1.387 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492128722 955640142 /nfs/dbraw/zinc/64/01/42/955640142.db2.gz CUHDOULOSRMGPQ-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001329335123 955828615 /nfs/dbraw/zinc/82/86/15/955828615.db2.gz ISSURDBBAGWAJM-AWEZNQCLSA-N 2 0 281.444 1.424 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001329748648 956096442 /nfs/dbraw/zinc/09/64/42/956096442.db2.gz ACDCKYUXWXGVDQ-OAHLLOKOSA-N 2 0 293.455 1.424 10 30 CDEERP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001329877539 956159148 /nfs/dbraw/zinc/15/91/48/956159148.db2.gz WULKRPDCDGRJQD-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC ZINC001316739205 956294292 /nfs/dbraw/zinc/29/42/92/956294292.db2.gz NSNKLXQADGMSBP-RRFJBIMHSA-N 2 0 279.428 1.319 10 30 CDEERP C=CC[NH+]1CCCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001330511641 956458190 /nfs/dbraw/zinc/45/81/90/956458190.db2.gz CNTBJYKGLKWTRF-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001330621448 956520627 /nfs/dbraw/zinc/52/06/27/956520627.db2.gz IRHKSNYOOUJXNA-SHTZXODSSA-N 2 0 291.439 1.675 10 30 CDEERP C=CCC[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001329243298 956960318 /nfs/dbraw/zinc/96/03/18/956960318.db2.gz LJSZSPSVGPOPQJ-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001316882442 957088053 /nfs/dbraw/zinc/08/80/53/957088053.db2.gz YTLCLIFOPMCYMH-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494485300 972241080 /nfs/dbraw/zinc/24/10/80/972241080.db2.gz RJWBYJVCXHXSDO-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001316980725 957175002 /nfs/dbraw/zinc/17/50/02/957175002.db2.gz CTYUPABLDPKUJZ-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317045816 957224425 /nfs/dbraw/zinc/22/44/25/957224425.db2.gz RLFKPBKUMVGKIZ-JKSUJKDBSA-N 2 0 291.439 1.132 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001317114759 957280586 /nfs/dbraw/zinc/28/05/86/957280586.db2.gz GANKNVIOXBIRNT-HZSPNIEDSA-N 2 0 265.401 1.284 10 30 CDEERP C=CC[N@H+]1CCC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001317145142 957304050 /nfs/dbraw/zinc/30/40/50/957304050.db2.gz XGVQKIUPTGMHOQ-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001317190177 957333752 /nfs/dbraw/zinc/33/37/52/957333752.db2.gz MXZIIVWRKSRUGW-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317245223 957375417 /nfs/dbraw/zinc/37/54/17/957375417.db2.gz GGGXUIASNYKHNV-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317320947 957422786 /nfs/dbraw/zinc/42/27/86/957422786.db2.gz CSWZGDQKRGQLID-HZPDHXFCSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317490867 957509424 /nfs/dbraw/zinc/50/94/24/957509424.db2.gz JYQCWFIAWFSGED-AWEZNQCLSA-N 2 0 267.417 1.034 10 30 CDEERP C=CCC[C@H](C)[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317491118 957509453 /nfs/dbraw/zinc/50/94/53/957509453.db2.gz PXMGITHBZAWNSH-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001317688452 957639815 /nfs/dbraw/zinc/63/98/15/957639815.db2.gz XMRPLKZSLUSLNI-UKRRQHHQSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001317934502 957823793 /nfs/dbraw/zinc/82/37/93/957823793.db2.gz ZSPPFGGKJDDRMJ-CABCVRRESA-N 2 0 299.434 1.823 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367411277 957999581 /nfs/dbraw/zinc/99/95/81/957999581.db2.gz XXJKYAHAMNTVDE-VXGBXAGGSA-N 2 0 273.808 1.127 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001494910074 972334147 /nfs/dbraw/zinc/33/41/47/972334147.db2.gz MGRIOGGHLPDCKI-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001319032318 958344879 /nfs/dbraw/zinc/34/48/79/958344879.db2.gz ZMYRYIICSPXUCH-MRXNPFEDSA-N 2 0 295.471 1.977 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001319461571 958576501 /nfs/dbraw/zinc/57/65/01/958576501.db2.gz UASOMBNFBNYTEA-AWEZNQCLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001319476710 958585309 /nfs/dbraw/zinc/58/53/09/958585309.db2.gz ITZHBAARXHAQRS-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001319889767 958770866 /nfs/dbraw/zinc/77/08/66/958770866.db2.gz XEHFRUDZZCFFAV-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001569307726 1169757784 /nfs/dbraw/zinc/75/77/84/1169757784.db2.gz NUZDOWUFUGCEIW-KGLIPLIRSA-N 2 0 267.417 1.243 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc2c[nH]ccc-2n1 ZINC001320147246 958966443 /nfs/dbraw/zinc/96/64/43/958966443.db2.gz OUTSOJAARLOVEO-JSGCOSHPSA-N 2 0 296.374 1.684 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001495361610 972483058 /nfs/dbraw/zinc/48/30/58/972483058.db2.gz ZMODCQOWJSSKBN-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001322247611 960149206 /nfs/dbraw/zinc/14/92/06/960149206.db2.gz FKTFHFVCHGCTGP-YNEHKIRRSA-N 2 0 276.384 1.146 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001322247609 960150408 /nfs/dbraw/zinc/15/04/08/960150408.db2.gz FKTFHFVCHGCTGP-JHJVBQTASA-N 2 0 276.384 1.146 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001420079311 962455454 /nfs/dbraw/zinc/45/54/54/962455454.db2.gz KQSBYSSQIKKYCU-OCCSQVGLSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001438761036 963543935 /nfs/dbraw/zinc/54/39/35/963543935.db2.gz ATCWEYMLQSAUGN-WCQYABFASA-N 2 0 287.835 1.517 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C1CC[NH+](C2CC2)CC1 ZINC001556467028 965045986 /nfs/dbraw/zinc/04/59/86/965045986.db2.gz XBFWUZPORJFBCL-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001445118062 966107569 /nfs/dbraw/zinc/10/75/69/966107569.db2.gz RPDRSNZJMORHGG-UONOGXRCSA-N 2 0 299.846 1.709 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCC1 ZINC001495953710 972717970 /nfs/dbraw/zinc/71/79/70/972717970.db2.gz MRMUMMYDSJNJAR-UHFFFAOYSA-N 2 0 293.455 1.760 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001496127650 972805832 /nfs/dbraw/zinc/80/58/32/972805832.db2.gz JRKMINCVBQQEPQ-HNNXBMFYSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001496642298 973007692 /nfs/dbraw/zinc/00/76/92/973007692.db2.gz IZNRLCBZQCZDPC-CYBMUJFWSA-N 2 0 287.835 1.565 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497619745 973435526 /nfs/dbraw/zinc/43/55/26/973435526.db2.gz GOPCMCPMJCILDP-NFAHFFEMSA-N 2 0 277.412 1.002 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001417982563 973514369 /nfs/dbraw/zinc/51/43/69/973514369.db2.gz JKDWXSHLZQYVPE-UONOGXRCSA-N 2 0 299.846 1.708 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001498484363 973946604 /nfs/dbraw/zinc/94/66/04/973946604.db2.gz JBKZYIOZYQJALA-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001498559419 973983007 /nfs/dbraw/zinc/98/30/07/973983007.db2.gz HOYUEULZCFGZHE-UHFFFAOYSA-N 2 0 287.835 1.661 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001499943112 974341143 /nfs/dbraw/zinc/34/11/43/974341143.db2.gz AHJDHLVRJAIPFE-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C1CCCC1 ZINC001500107120 974374493 /nfs/dbraw/zinc/37/44/93/974374493.db2.gz PPHUDVQBWVXDPI-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001506549756 975177800 /nfs/dbraw/zinc/17/78/00/975177800.db2.gz UAFOCXSDXFOLTE-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001507025865 975298258 /nfs/dbraw/zinc/29/82/58/975298258.db2.gz CFCWENUPHRCPLZ-MRXNPFEDSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001507802485 975545800 /nfs/dbraw/zinc/54/58/00/975545800.db2.gz ULMFQIUEEFNZGO-INIZCTEOSA-N 2 0 291.439 1.130 10 30 CDEERP CC#CC[N@H+](C)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001507856101 975549442 /nfs/dbraw/zinc/54/94/42/975549442.db2.gz VWWYLCXGEMNIFZ-INIZCTEOSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001674569995 1173964699 /nfs/dbraw/zinc/96/46/99/1173964699.db2.gz KWUCAHAPEXLXJY-UHFFFAOYSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001677423754 1174358950 /nfs/dbraw/zinc/35/89/50/1174358950.db2.gz OPGIISRBJUVUBP-UHFFFAOYSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001677423924 1174359791 /nfs/dbraw/zinc/35/97/91/1174359791.db2.gz SOLZHTNXCLGDBQ-WLYUNCDWSA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001671250952 1171093556 /nfs/dbraw/zinc/09/35/56/1171093556.db2.gz GXZCBKGXRJKWGF-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594437103 342898645 /nfs/dbraw/zinc/89/86/45/342898645.db2.gz IAIREWQEHGMXQE-ZIAGYGMSSA-N 2 0 280.416 1.340 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000594438455 342906381 /nfs/dbraw/zinc/90/63/81/342906381.db2.gz INKSFKVIWFDJSN-HUUCEWRRSA-N 2 0 292.427 1.342 10 30 CDEERP CCCN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594448997 342909220 /nfs/dbraw/zinc/90/92/20/342909220.db2.gz AMPFIQXNBSCHBL-CYBMUJFWSA-N 2 0 268.405 1.198 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001660330708 1172196480 /nfs/dbraw/zinc/19/64/80/1172196480.db2.gz WHOHLMUZMMYQIU-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C[N@H+]1CC=C(C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000345176745 359702734 /nfs/dbraw/zinc/70/27/34/359702734.db2.gz RFWPOBDUMMKWPX-UHFFFAOYSA-N 2 0 281.363 1.557 10 30 CDEERP C=C(C)C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001660798398 1172277875 /nfs/dbraw/zinc/27/78/75/1172277875.db2.gz XTVJFIVFGJDWNY-UHFFFAOYSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001662724055 1172586885 /nfs/dbraw/zinc/58/68/85/1172586885.db2.gz ZYTYJIGJQOEUAM-CQSZACIVSA-N 2 0 265.401 1.096 10 30 CDEERP C=CC[C@]1(C(=O)N(C)CC(C)(C)C[NH3+])CCC[NH2+]1 ZINC000662426851 413004063 /nfs/dbraw/zinc/00/40/63/413004063.db2.gz FUDALGDILPWBNK-CQSZACIVSA-N 2 0 253.390 1.128 10 30 CDEERP C=CCC[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001664553006 1172867766 /nfs/dbraw/zinc/86/77/66/1172867766.db2.gz KXEJIXUQIATQNM-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[C@]1(C(=O)Nc2cnn(CC[NH+](C)C)c2)CCC[NH2+]1 ZINC000662701780 413348694 /nfs/dbraw/zinc/34/86/94/413348694.db2.gz RWIXRTGWVFCDQM-OAHLLOKOSA-N 2 0 291.399 1.082 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@]2(CC=C)CCC[NH2+]2)CC1 ZINC000662721070 413382990 /nfs/dbraw/zinc/38/29/90/413382990.db2.gz IXXMPGNSOHIHIF-MRXNPFEDSA-N 2 0 277.412 1.451 10 30 CDEERP C=CC[C@@]1(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CCC[NH2+]1 ZINC000662764867 413460386 /nfs/dbraw/zinc/46/03/86/413460386.db2.gz SSRMQFUGRYGXLE-INIZCTEOSA-N 2 0 286.379 1.364 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCC[NH2+]1 ZINC000662786243 413496487 /nfs/dbraw/zinc/49/64/87/413496487.db2.gz VKIWCOJJOJIPIU-BFYDXBDKSA-N 2 0 291.439 1.533 10 30 CDEERP C=CCN(Cc1cccs1)C[C@@H]1C[NH2+]CCO1 ZINC000662248405 414583216 /nfs/dbraw/zinc/58/32/16/414583216.db2.gz APMAGQIJDLNBSF-LBPRGKRZSA-N 2 0 252.383 1.725 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCCSCC2)s1 ZINC000043684041 175091721 /nfs/dbraw/zinc/09/17/21/175091721.db2.gz PQLDDWVHMPAFJZ-UHFFFAOYSA-N 2 0 266.435 1.997 10 30 CDEERP C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148526 176044094 /nfs/dbraw/zinc/04/40/94/176044094.db2.gz FZSZWEPJOPPQAL-CQSZACIVSA-N 2 0 272.396 1.456 10 30 CDEERP CN(Cc1ccc(F)cc1C#CC[NH3+])C[C@@H]1CC[N@H+](C)C1 ZINC000071190482 176066770 /nfs/dbraw/zinc/06/67/70/176066770.db2.gz XXQRROUCCSZJDP-CQSZACIVSA-N 2 0 289.398 1.519 10 30 CDEERP C[N@H+](CCCC[C@@](C)(N)C#N)C[C@@H]1CC[NH+](C)C1 ZINC000071190774 176068046 /nfs/dbraw/zinc/06/80/46/176068046.db2.gz KHLNFPLHYQRKEZ-UONOGXRCSA-N 2 0 252.406 1.281 10 30 CDEERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(C#CC[NH3+])cc1 ZINC000071192976 176074523 /nfs/dbraw/zinc/07/45/23/176074523.db2.gz VZMNGVSPXTYHRA-OAHLLOKOSA-N 2 0 285.391 1.021 10 30 CDEERP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001665995814 1173098522 /nfs/dbraw/zinc/09/85/22/1173098522.db2.gz MGWDRRFKIHXHLU-FRFSOERESA-N 2 0 293.455 1.777 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001666302516 1173124961 /nfs/dbraw/zinc/12/49/61/1173124961.db2.gz LEMLRLCGQFHKKI-SHTZXODSSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000106340688 261834498 /nfs/dbraw/zinc/83/44/98/261834498.db2.gz HZVSZLZVEQIHJF-OAHLLOKOSA-N 2 0 294.443 1.372 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001667652441 1173307494 /nfs/dbraw/zinc/30/74/94/1173307494.db2.gz FWQHZVKEWJZGSD-UHFFFAOYSA-N 2 0 265.401 1.049 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001667762450 1173323704 /nfs/dbraw/zinc/32/37/04/1173323704.db2.gz AWIUFOITMUWJRQ-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001668326752 1173398199 /nfs/dbraw/zinc/39/81/99/1173398199.db2.gz VJRDUYODHLHXIG-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001691454250 1159315117 /nfs/dbraw/zinc/31/51/17/1159315117.db2.gz BTDZWOLTVYBCMB-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001691473487 1159333599 /nfs/dbraw/zinc/33/35/99/1159333599.db2.gz PZGJGYZSLQUMTC-KFWWJZLASA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001698826770 1175952013 /nfs/dbraw/zinc/95/20/13/1175952013.db2.gz ILVIYMKOUFDGCS-QLFBSQMISA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699459345 1176424013 /nfs/dbraw/zinc/42/40/13/1176424013.db2.gz KHUPTARUARUFSZ-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268751175 1160013666 /nfs/dbraw/zinc/01/36/66/1160013666.db2.gz RRKJKYAQJUDELE-AWEZNQCLSA-N 2 0 289.423 1.984 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001270721357 1160139699 /nfs/dbraw/zinc/13/96/99/1160139699.db2.gz XAERRJLLRXLVMD-ZDUSSCGKSA-N 2 0 265.401 1.285 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001733013293 1160433773 /nfs/dbraw/zinc/43/37/73/1160433773.db2.gz AXJJZGKVMSJUHO-XJKSGUPXSA-N 2 0 299.434 1.869 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483257600 1160883961 /nfs/dbraw/zinc/88/39/61/1160883961.db2.gz GQFQTMAIAKDYDJ-GOEBONIOSA-N 2 0 291.439 1.511 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001483320223 1160899198 /nfs/dbraw/zinc/89/91/98/1160899198.db2.gz SNGZLNLUMZTHBC-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC001120504514 1161025182 /nfs/dbraw/zinc/02/51/82/1161025182.db2.gz PILWAOPHMNACEU-CQSZACIVSA-N 2 0 294.443 1.324 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001715052182 1179529924 /nfs/dbraw/zinc/52/99/24/1179529924.db2.gz MFHZPCHDRHJMCF-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCCO1 ZINC000329660809 533789635 /nfs/dbraw/zinc/78/96/35/533789635.db2.gz IJFYXAAOHDFBON-SWLSCSKDSA-N 2 0 295.427 1.727 10 30 CDEERP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1F)C[C@@H]1CCCO1 ZINC000049609683 523203075 /nfs/dbraw/zinc/20/30/75/523203075.db2.gz FKYLJVDJUYZJLA-HNNXBMFYSA-N 2 0 276.355 1.747 10 30 CDEERP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(C#CC[NH3+])c1 ZINC000049609845 523342387 /nfs/dbraw/zinc/34/23/87/523342387.db2.gz IEMAHSFRXKIKNA-YOEHRIQHSA-N 2 0 272.392 1.996 10 30 CDEERP COc1ccc(C#CC[NH3+])cc1C[NH+]1CCC(CO)CC1 ZINC000049608311 523514799 /nfs/dbraw/zinc/51/47/99/523514799.db2.gz ORXFKGAUWULBOF-UHFFFAOYSA-N 2 0 288.391 1.210 10 30 CDEERP COCC[NH+](CCOC)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609864 523717906 /nfs/dbraw/zinc/71/79/06/523717906.db2.gz ULQDWQGIEVCGHL-UHFFFAOYSA-N 2 0 276.380 1.092 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001689912334 1175303662 /nfs/dbraw/zinc/30/36/62/1175303662.db2.gz UYXAYKYTZMWCST-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939063793 613349925 /nfs/dbraw/zinc/34/99/25/613349925.db2.gz MBKLIGJLLTXVNC-DZGCQCFKSA-N 2 0 279.428 1.341 10 30 CDEERP N#CC1CCC(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000903454009 626001364 /nfs/dbraw/zinc/00/13/64/626001364.db2.gz RDRDJCGCZTWCCG-UYSNPLJNSA-N 2 0 276.428 1.296 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000909915032 628742387 /nfs/dbraw/zinc/74/23/87/628742387.db2.gz RZAIBEXSDTYQKT-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000911529829 629307613 /nfs/dbraw/zinc/30/76/13/629307613.db2.gz GEPMRSNMDDMQEW-GASCZTMLSA-N 2 0 297.443 1.062 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](CC)[C@@H](C)C1 ZINC000912023568 629739793 /nfs/dbraw/zinc/73/97/93/629739793.db2.gz DYBNGESLCIKWTD-BETUJISGSA-N 2 0 253.390 1.045 10 30 CDEERP CCC[NH+]=C(NC[C@@H]1CCC[N@@H+]1CCOC)NC(C)(C)C ZINC000912509344 630049379 /nfs/dbraw/zinc/04/93/79/630049379.db2.gz CVIJXGFCBSHSSB-AWEZNQCLSA-N 2 0 298.475 1.841 10 30 CDEERP C=CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266896389 1158967388 /nfs/dbraw/zinc/96/73/88/1158967388.db2.gz AMHCLFTVWLTXQG-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001266994321 1159073404 /nfs/dbraw/zinc/07/34/04/1159073404.db2.gz LEHISLAXPLZHFX-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001670544489 1158634291 /nfs/dbraw/zinc/63/42/91/1158634291.db2.gz MDRNIRCHFQXMTL-GOEBONIOSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001691208690 1158956426 /nfs/dbraw/zinc/95/64/26/1158956426.db2.gz GFPFWMHTYBYRAR-HNNXBMFYSA-N 2 0 279.428 1.626 10 30 CDEERP C=CCC[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001483975215 1161243322 /nfs/dbraw/zinc/24/33/22/1161243322.db2.gz ICQLOLQSHNYUTK-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCC[NH+]1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001687481815 1161387535 /nfs/dbraw/zinc/38/75/35/1161387535.db2.gz SGZUYWWZVVLJJR-UHFFFAOYSA-N 2 0 291.439 1.583 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567404139 1168735678 /nfs/dbraw/zinc/73/56/78/1168735678.db2.gz UWBDRYUXDCGYPP-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)CC[N@@H+](C)CC)C(C)C ZINC001568466914 1169302242 /nfs/dbraw/zinc/30/22/42/1169302242.db2.gz JJLNGGNJWDKFQY-AWEZNQCLSA-N 2 0 267.417 1.082 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001568850366 1169518580 /nfs/dbraw/zinc/51/85/80/1169518580.db2.gz KROIICRXDCDWMR-NNTXTVRGSA-N 2 0 299.846 1.874 10 30 CDEERP C#CCC[NH+]1CCC([C@H](C)NC(=O)CC[N@@H+](C)CC)CC1 ZINC001571650448 1170509079 /nfs/dbraw/zinc/50/90/79/1170509079.db2.gz SJFXXRUCIYNNTN-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001650426067 1171057943 /nfs/dbraw/zinc/05/79/43/1171057943.db2.gz ZPTKEDFORVUYOI-LLVKDONJSA-N 2 0 275.824 1.503 10 30 CDEERP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001661077657 1172331147 /nfs/dbraw/zinc/33/11/47/1172331147.db2.gz FXUXJNGKSJOJPS-HNNXBMFYSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001661926157 1172468421 /nfs/dbraw/zinc/46/84/21/1172468421.db2.gz SNCDZOWAQXKBGY-CABCVRRESA-N 2 0 297.418 1.270 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001661946639 1172471006 /nfs/dbraw/zinc/47/10/06/1172471006.db2.gz KMGTYJBCFHCPBO-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C[C@](C)(NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001666043174 1173103761 /nfs/dbraw/zinc/10/37/61/1173103761.db2.gz JHVININKFJJBGC-KRWDZBQOSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]C/C=C/Cl ZINC001668454768 1173414857 /nfs/dbraw/zinc/41/48/57/1173414857.db2.gz COKBZURUNIOBFS-OWNNVSBGSA-N 2 0 297.830 1.275 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001668904287 1173478222 /nfs/dbraw/zinc/47/82/22/1173478222.db2.gz ALTPIBWIFZCMDI-OGZRUICASA-N 2 0 293.455 1.945 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001674734395 1174001311 /nfs/dbraw/zinc/00/13/11/1174001311.db2.gz IUWHDBXGAPZNBN-KBPBESRZSA-N 2 0 281.444 1.777 10 30 CDEERP 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 1174126300 /nfs/dbraw/zinc/12/63/00/1174126300.db2.gz QTOAECMTZLCOFU-FPCVCCKLSA-N 2 0 291.439 1.198 10 30 CDEERP CC#CC[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001676068770 1174178093 /nfs/dbraw/zinc/17/80/93/1174178093.db2.gz JDUDXFQOBGVXDG-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC(=C)C)C1 ZINC001690341510 1175443741 /nfs/dbraw/zinc/44/37/41/1175443741.db2.gz QWCWCIWVGJFTAR-XHSDSOJGSA-N 2 0 289.423 1.287 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001690678691 1175543382 /nfs/dbraw/zinc/54/33/82/1175543382.db2.gz OYHCXIWVLOKHCQ-HOTGVXAUSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001698626756 1175878351 /nfs/dbraw/zinc/87/83/51/1175878351.db2.gz NSXBWOYIIDLQTK-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001698680185 1175894460 /nfs/dbraw/zinc/89/44/60/1175894460.db2.gz WDBSWAPCFKYKPG-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001698769309 1175924753 /nfs/dbraw/zinc/92/47/53/1175924753.db2.gz YLRBZNUUIMHUIS-ZIAGYGMSSA-N 2 0 267.417 1.246 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001698879734 1175975964 /nfs/dbraw/zinc/97/59/64/1175975964.db2.gz QKAZOOFOHWAMDR-HUUCEWRRSA-N 2 0 279.428 1.082 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001698899117 1175980381 /nfs/dbraw/zinc/98/03/81/1175980381.db2.gz OZUSBXGCIFHMKW-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001699595148 1176492147 /nfs/dbraw/zinc/49/21/47/1176492147.db2.gz VUKCIDXZWJBSEU-INIZCTEOSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001699876436 1176665346 /nfs/dbraw/zinc/66/53/46/1176665346.db2.gz GOFJPMKZVGWINJ-DOTOQJQBSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)C[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001700105486 1176747604 /nfs/dbraw/zinc/74/76/04/1176747604.db2.gz DPXLDKJQTRIPAP-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001700428993 1176924336 /nfs/dbraw/zinc/92/43/36/1176924336.db2.gz BQUZLKSOEDOLDJ-HZPDHXFCSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001700923143 1177195755 /nfs/dbraw/zinc/19/57/55/1177195755.db2.gz YJLFRHVQLLDJKV-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CC=C(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001701058233 1177257645 /nfs/dbraw/zinc/25/76/45/1177257645.db2.gz RZBHQNOWNYNRNG-UHFFFAOYSA-N 2 0 293.455 1.899 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001701062560 1177262094 /nfs/dbraw/zinc/26/20/94/1177262094.db2.gz FWCFIGQGGUZVMZ-HUUCEWRRSA-N 2 0 291.439 1.794 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001707094159 1177950419 /nfs/dbraw/zinc/95/04/19/1177950419.db2.gz TWABETSMENIQDW-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713134694 1178387769 /nfs/dbraw/zinc/38/77/69/1178387769.db2.gz SDOHIQRCCZYGQO-INIZCTEOSA-N 2 0 293.455 1.522 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713134731 1178388017 /nfs/dbraw/zinc/38/80/17/1178388017.db2.gz SWSMLCOCSGRRFN-OAHLLOKOSA-N 2 0 279.428 1.132 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713174868 1178413909 /nfs/dbraw/zinc/41/39/09/1178413909.db2.gz IVYZOYDWRLNRPE-MGPQQGTHSA-N 2 0 265.401 1.141 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001713200986 1178427715 /nfs/dbraw/zinc/42/77/15/1178427715.db2.gz FPZITQDRKQCBJS-QLFBSQMISA-N 2 0 279.428 1.367 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713215887 1178439729 /nfs/dbraw/zinc/43/97/29/1178439729.db2.gz ULXZMYGVIMHXNI-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001713292620 1178469140 /nfs/dbraw/zinc/46/91/40/1178469140.db2.gz MPRPWFZSSHIXNR-WLYUNCDWSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001713409353 1178544930 /nfs/dbraw/zinc/54/49/30/1178544930.db2.gz VRWSNAAIJCCGSC-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713551698 1178641295 /nfs/dbraw/zinc/64/12/95/1178641295.db2.gz XAQFEGOWOIZJMV-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001713925866 1178850908 /nfs/dbraw/zinc/85/09/08/1178850908.db2.gz PCVVCELZFKINEQ-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001713939581 1178865871 /nfs/dbraw/zinc/86/58/71/1178865871.db2.gz IZKACCUIFLVZMA-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001714048190 1178945870 /nfs/dbraw/zinc/94/58/70/1178945870.db2.gz FLSQSRPROUKYMR-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[NH+]1CCC(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001714331211 1179086816 /nfs/dbraw/zinc/08/68/16/1179086816.db2.gz RNUQLPDKBHSVHE-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714362561 1179104714 /nfs/dbraw/zinc/10/47/14/1179104714.db2.gz XPIOZRURSQMZKC-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001714499059 1179172544 /nfs/dbraw/zinc/17/25/44/1179172544.db2.gz ZXTNECVUBHYBJL-ZBFHGGJFSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001714509791 1179177793 /nfs/dbraw/zinc/17/77/93/1179177793.db2.gz CEKRZGPAWHQVBJ-UHFFFAOYSA-N 2 0 279.428 1.677 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001714561272 1179217021 /nfs/dbraw/zinc/21/70/21/1179217021.db2.gz OVOGLNLSNGXFKX-OAHLLOKOSA-N 2 0 285.407 1.433 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001714652072 1179299301 /nfs/dbraw/zinc/29/93/01/1179299301.db2.gz ZVAHIHUWRIARSC-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001714918736 1179451376 /nfs/dbraw/zinc/45/13/76/1179451376.db2.gz SIBURVZQUUWKBJ-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001714943175 1179470019 /nfs/dbraw/zinc/47/00/19/1179470019.db2.gz CPTGVEPBRKOYDG-RDJZCZTQSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001714967758 1179482643 /nfs/dbraw/zinc/48/26/43/1179482643.db2.gz WENQYOMTTAHFJH-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001715144344 1179564697 /nfs/dbraw/zinc/56/46/97/1179564697.db2.gz XWNHJKFSGWKZFN-BZUAXINKSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001715914240 1179910249 /nfs/dbraw/zinc/91/02/49/1179910249.db2.gz PKDBGNVUIXWFPU-JFDDCEBESA-N 2 0 293.455 1.945 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715981118 1179962242 /nfs/dbraw/zinc/96/22/42/1179962242.db2.gz LLCGCDUKJHCBHZ-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001716255458 1180122169 /nfs/dbraw/zinc/12/21/69/1180122169.db2.gz SHDXQZNSBHBIDV-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001716671611 1180356123 /nfs/dbraw/zinc/35/61/23/1180356123.db2.gz QZVVHSVOWLBAPJ-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001716963054 1180483036 /nfs/dbraw/zinc/48/30/36/1180483036.db2.gz JEYAPQZYTBWARJ-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717453081 1180678069 /nfs/dbraw/zinc/67/80/69/1180678069.db2.gz BZGIALJIWBIDKV-ZIAGYGMSSA-N 2 0 279.428 1.034 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001717648111 1180773079 /nfs/dbraw/zinc/77/30/79/1180773079.db2.gz PABUXPIMRDUVIS-RBSFLKMASA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001717886891 1180913778 /nfs/dbraw/zinc/91/37/78/1180913778.db2.gz IUCWEQYYKPOGMQ-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001723035859 1181511685 /nfs/dbraw/zinc/51/16/85/1181511685.db2.gz CHZLKFAIWOYWPD-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCCC1 ZINC001724095697 1181636193 /nfs/dbraw/zinc/63/61/93/1181636193.db2.gz PMGNKPOEXBSWJX-MRXNPFEDSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001724614195 1181705034 /nfs/dbraw/zinc/70/50/34/1181705034.db2.gz ORRGEIPBWYKZAO-WKILWMFISA-N 2 0 293.455 1.474 10 30 CDEERP C#CCC[N@@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001725420536 1181994325 /nfs/dbraw/zinc/99/43/25/1181994325.db2.gz OCRXGPIBWYYXRC-OAHLLOKOSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725449851 1182004635 /nfs/dbraw/zinc/00/46/35/1182004635.db2.gz DLCLEDFXZADTBL-JKSUJKDBSA-N 2 0 291.439 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001725735975 1182116931 /nfs/dbraw/zinc/11/69/31/1182116931.db2.gz LKRZSTMLOSACTC-KBPBESRZSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001731508855 1182427652 /nfs/dbraw/zinc/42/76/52/1182427652.db2.gz QRSAZPCPMMFHNC-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001731558445 1182447840 /nfs/dbraw/zinc/44/78/40/1182447840.db2.gz KHSIZNXFDQCAKD-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001732524427 1182996333 /nfs/dbraw/zinc/99/63/33/1182996333.db2.gz BUEYWTCIJFUHKL-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001733660573 1183492321 /nfs/dbraw/zinc/49/23/21/1183492321.db2.gz DFNDBBQWMVHYMD-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001734058335 1183640866 /nfs/dbraw/zinc/64/08/66/1183640866.db2.gz NFUPPRVCPCDHSI-OAHLLOKOSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001734067434 1183646211 /nfs/dbraw/zinc/64/62/11/1183646211.db2.gz ZKANCQSMUATLAQ-ZDUSSCGKSA-N 2 0 255.406 1.339 10 30 CDEERP C=CC[NH+]1CCC(C2(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001734603592 1183842681 /nfs/dbraw/zinc/84/26/81/1183842681.db2.gz HTTJEGFPWINEKZ-UHFFFAOYSA-N 2 0 291.439 1.629 10 30 CDEERP C[N@@H+]1C[C@@H]2CN(Cc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000702376443 770807035 /nfs/dbraw/zinc/80/70/35/770807035.db2.gz TULMCLUBTUJVTG-CVEARBPZSA-N 2 0 255.365 1.942 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000877054424 771904518 /nfs/dbraw/zinc/90/45/18/771904518.db2.gz HWAUZDULSCLLAA-GFCCVEGCSA-N 2 0 295.770 1.577 10 30 CDEERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000870994196 772037504 /nfs/dbraw/zinc/03/75/04/772037504.db2.gz OTYCFVHPKBPRCU-WFASDCNBSA-N 2 0 280.416 1.231 10 30 CDEERP C=CCN1CC[C@@H]([NH+]2CCC3(CC[NH+](C)CC3)CC2)C1=O ZINC000879250847 772621975 /nfs/dbraw/zinc/62/19/75/772621975.db2.gz KAIWZOLFMSQWEP-OAHLLOKOSA-N 2 0 291.439 1.581 10 30 CDEERP CC[NH+](CC)[C@H](C)CNC(=[NH+]C)N1CC[C@]2(CCOC2)C1 ZINC000262001947 773170991 /nfs/dbraw/zinc/17/09/91/773170991.db2.gz UPLFBOCGGIBXAE-ZBFHGGJFSA-N 2 0 296.459 1.405 10 30 CDEERP C#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001566005235 1168212043 /nfs/dbraw/zinc/21/20/43/1168212043.db2.gz PIHWBVYGRBTTSL-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001566074891 1168227024 /nfs/dbraw/zinc/22/70/24/1168227024.db2.gz CWTOSXRSXVUGJQ-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001566712540 1168397107 /nfs/dbraw/zinc/39/71/07/1168397107.db2.gz LRCTVBIDYPVNNH-ARFHVFGLSA-N 2 0 293.455 1.777 10 30 CDEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001567188295 1168611826 /nfs/dbraw/zinc/61/18/26/1168611826.db2.gz KQCRQNODNSNECG-LSDHHAIUSA-N 2 0 277.412 1.027 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001480873159 894826691 /nfs/dbraw/zinc/82/66/91/894826691.db2.gz AQJKLQJFDSTRGV-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001266440023 894905904 /nfs/dbraw/zinc/90/59/04/894905904.db2.gz CUVRXGCHIZDRIY-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266468471 894996875 /nfs/dbraw/zinc/99/68/75/894996875.db2.gz QUVSGSABDQHJHP-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001266579355 895432044 /nfs/dbraw/zinc/43/20/44/895432044.db2.gz OUXABPDVHWAVOK-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001266853298 896194657 /nfs/dbraw/zinc/19/46/57/896194657.db2.gz JOOIJNVHJSLHSX-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001267169790 896992175 /nfs/dbraw/zinc/99/21/75/896992175.db2.gz XGZXMKKORPDWBX-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001267279916 897454249 /nfs/dbraw/zinc/45/42/49/897454249.db2.gz NKTMLDHSTHPARE-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267535865 898279162 /nfs/dbraw/zinc/27/91/62/898279162.db2.gz HIVRGPVUKGCOCL-HOTGVXAUSA-N 2 0 293.455 1.424 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267578970 898510607 /nfs/dbraw/zinc/51/06/07/898510607.db2.gz ASUQCLUTIUBGFV-ZIAGYGMSSA-N 2 0 265.401 1.047 10 30 CDEERP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001267718365 899369843 /nfs/dbraw/zinc/36/98/43/899369843.db2.gz HYKKSCCTYQFKQR-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001267923980 899979117 /nfs/dbraw/zinc/97/91/17/899979117.db2.gz CYLBVRAIPOBUKZ-SHTZXODSSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001268163615 901459416 /nfs/dbraw/zinc/45/94/16/901459416.db2.gz YYSAMNVVVWMNJI-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=C)C)CC1 ZINC001282240972 901774384 /nfs/dbraw/zinc/77/43/84/901774384.db2.gz HQUKWYWVXMOCNT-CABCVRRESA-N 2 0 291.439 1.391 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481741073 901988494 /nfs/dbraw/zinc/98/84/94/901988494.db2.gz VYVWDSFPMALNSU-LSDHHAIUSA-N 2 0 281.444 1.681 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001268401261 901999777 /nfs/dbraw/zinc/99/97/77/901999777.db2.gz AXWFIGOIFAHBMR-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001268461828 902186637 /nfs/dbraw/zinc/18/66/37/902186637.db2.gz XVZXKUQRMCOOMQ-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001268947644 903274995 /nfs/dbraw/zinc/27/49/95/903274995.db2.gz XCIJKQGGTYTBPG-IHRRRGAJSA-N 2 0 283.391 1.137 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001269187516 903522315 /nfs/dbraw/zinc/52/23/15/903522315.db2.gz RLVXSSQVCKLOQX-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH+]1CC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001269293723 903667549 /nfs/dbraw/zinc/66/75/49/903667549.db2.gz ZNUXPVMUZQRXQR-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567832485 1169005708 /nfs/dbraw/zinc/00/57/08/1169005708.db2.gz QEEAAWPMJCJSDA-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482291113 904662158 /nfs/dbraw/zinc/66/21/58/904662158.db2.gz CVIRSUWHJDZXFJ-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCC)CC1 ZINC001271218246 906185464 /nfs/dbraw/zinc/18/54/64/906185464.db2.gz XPXMFSJPLWZMHA-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCOCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001482607119 907877242 /nfs/dbraw/zinc/87/72/42/907877242.db2.gz GJQURUDAJJFSSR-OAHLLOKOSA-N 2 0 297.443 1.064 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483050560 909047255 /nfs/dbraw/zinc/04/72/55/909047255.db2.gz IRPBNLXSWKMORQ-KXLSMFKISA-N 2 0 277.412 1.002 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001483050437 909048135 /nfs/dbraw/zinc/04/81/35/909048135.db2.gz WJCYYAFHRBVQNY-MWWKQMNYSA-N 2 0 291.439 1.394 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001483178962 909921374 /nfs/dbraw/zinc/92/13/74/909921374.db2.gz KCKGFNRYHCPKGE-CQSZACIVSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483929399 915206045 /nfs/dbraw/zinc/20/60/45/915206045.db2.gz KKHYRXWHNIEUAV-HOTGVXAUSA-N 2 0 291.439 1.485 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001484094370 915427882 /nfs/dbraw/zinc/42/78/82/915427882.db2.gz OPJUFOGXACQZHF-WBVHZDCISA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001484347148 915655778 /nfs/dbraw/zinc/65/57/78/915655778.db2.gz NBGOHXBXPDHZEV-GDBMZVCRSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484378697 915696017 /nfs/dbraw/zinc/69/60/17/915696017.db2.gz ZYMHXCKHZDJOQT-LSDHHAIUSA-N 2 0 281.444 1.588 10 30 CDEERP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001484466504 915794633 /nfs/dbraw/zinc/79/46/33/915794633.db2.gz UKRLPYGKSNVISL-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001484746807 916115589 /nfs/dbraw/zinc/11/55/89/916115589.db2.gz HNWUTWOUYOIUHD-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001484891479 916236704 /nfs/dbraw/zinc/23/67/04/916236704.db2.gz HIPUOPXUTKMKIO-LSDHHAIUSA-N 2 0 289.423 1.075 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001485059386 916458983 /nfs/dbraw/zinc/45/89/83/916458983.db2.gz GDUMHORTGSVXEY-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001485102653 916501172 /nfs/dbraw/zinc/50/11/72/916501172.db2.gz NAUUDNMQQITDBF-WLYUNCDWSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001485240290 916699066 /nfs/dbraw/zinc/69/90/66/916699066.db2.gz XATDGTGXRGTVPP-UYSNPLJNSA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CC2CC2)CC1 ZINC001485388658 916936630 /nfs/dbraw/zinc/93/66/30/916936630.db2.gz OLNHUVILBLEZOV-AWEZNQCLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272865134 919926803 /nfs/dbraw/zinc/92/68/03/919926803.db2.gz JWCBRTLCFYKFCW-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001485891414 920551101 /nfs/dbraw/zinc/55/11/01/920551101.db2.gz GOCNZSVSTOLFGL-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001486120489 920731411 /nfs/dbraw/zinc/73/14/11/920731411.db2.gz BSKRYVQNPIRJKC-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486181545 920786589 /nfs/dbraw/zinc/78/65/89/920786589.db2.gz UMOHZQSUIATOPN-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001491069240 936850594 /nfs/dbraw/zinc/85/05/94/936850594.db2.gz GGGLWUMRZZNXDO-FPCVCCKLSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001491160943 936867357 /nfs/dbraw/zinc/86/73/57/936867357.db2.gz OTQLETBTMUVNSK-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001568390098 1169270365 /nfs/dbraw/zinc/27/03/65/1169270365.db2.gz CTGKWKNYHNDSCE-OAHLLOKOSA-N 2 0 288.395 1.267 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001490221860 927036688 /nfs/dbraw/zinc/03/66/88/927036688.db2.gz HXMPUIYUCWVWAV-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP C#CCC[N@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001490250176 927051168 /nfs/dbraw/zinc/05/11/68/927051168.db2.gz DVLIMXAQANYNBN-UHFFFAOYSA-N 2 0 281.444 1.426 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001490560513 927228734 /nfs/dbraw/zinc/22/87/34/927228734.db2.gz GXMREDFKGJIDFJ-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CCN(C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001568498849 1169329930 /nfs/dbraw/zinc/32/99/30/1169329930.db2.gz SEVAEIRBHOFWLG-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001274153734 931206744 /nfs/dbraw/zinc/20/67/44/931206744.db2.gz MHYKPMAKEVAMDR-WLMCBFPDSA-N 2 0 291.439 1.392 10 30 CDEERP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001275143814 931678795 /nfs/dbraw/zinc/67/87/95/931678795.db2.gz QYSYEWSDACDIAX-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001275156324 931682712 /nfs/dbraw/zinc/68/27/12/931682712.db2.gz BDTIEMUPNVULCF-MELADBBJSA-N 2 0 267.417 1.387 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001326354693 932204165 /nfs/dbraw/zinc/20/41/65/932204165.db2.gz YWMKWLNBRHWJRE-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001276190493 932625401 /nfs/dbraw/zinc/62/54/01/932625401.db2.gz QOYICMFLNLRWAN-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001122057011 937902271 /nfs/dbraw/zinc/90/22/71/937902271.db2.gz YYEUJZRQYHKBKL-HOTGVXAUSA-N 2 0 293.455 1.908 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001568751096 1169463362 /nfs/dbraw/zinc/46/33/62/1169463362.db2.gz HUCQHUMZLCBSQJ-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001277225551 942196786 /nfs/dbraw/zinc/19/67/86/942196786.db2.gz WAKWNZVKLRWOIG-CABCVRRESA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001279577569 942395693 /nfs/dbraw/zinc/39/56/93/942395693.db2.gz TYMATQVNAFBWJP-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001281475111 942581941 /nfs/dbraw/zinc/58/19/41/942581941.db2.gz GLEOWRVFNRZBET-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001282013945 942644774 /nfs/dbraw/zinc/64/47/74/942644774.db2.gz OYAUTCOZDDNLHW-NRXISQOPSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001283296473 942873421 /nfs/dbraw/zinc/87/34/21/942873421.db2.gz JOHCOGAMMBWDAD-HNNXBMFYSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC001284653827 943233921 /nfs/dbraw/zinc/23/39/21/943233921.db2.gz VNTICSZSWNKGAG-CYBMUJFWSA-N 2 0 269.433 1.633 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001277777250 943510389 /nfs/dbraw/zinc/51/03/89/943510389.db2.gz WBCLWMAPRLTIMK-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001277866100 943899717 /nfs/dbraw/zinc/89/97/17/943899717.db2.gz OZIUXTIOUDEEQE-CYBMUJFWSA-N 2 0 265.401 1.237 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001263906278 944025729 /nfs/dbraw/zinc/02/57/29/944025729.db2.gz FEVMWWKXAUEAFV-RRFJBIMHSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)CC ZINC001264004742 944060921 /nfs/dbraw/zinc/06/09/21/944060921.db2.gz CEQPUUVHDIVOIT-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001264370757 944113663 /nfs/dbraw/zinc/11/36/63/944113663.db2.gz JOXAAOQJHUFXIZ-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001265030882 944207551 /nfs/dbraw/zinc/20/75/51/944207551.db2.gz NTUZGZLUCOHPFD-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001265655968 944459019 /nfs/dbraw/zinc/45/90/19/944459019.db2.gz SUDGAQYZWWPKCE-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001265853028 944540134 /nfs/dbraw/zinc/54/01/34/944540134.db2.gz MCYQGQAHBZLJFY-STQMWFEESA-N 2 0 255.406 1.243 10 30 CDEERP C=CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001265907713 944567140 /nfs/dbraw/zinc/56/71/40/944567140.db2.gz AEUDNUCMXAUOLH-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001266008471 944625935 /nfs/dbraw/zinc/62/59/35/944625935.db2.gz FCWATSVHDVAYQL-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266054132 944657723 /nfs/dbraw/zinc/65/77/23/944657723.db2.gz JOHPQWKJJBNOIU-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001479527051 971338071 /nfs/dbraw/zinc/33/80/71/971338071.db2.gz YPGOCUBDVIJRIG-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001568958172 1169564998 /nfs/dbraw/zinc/56/49/98/1169564998.db2.gz LDIOHQIOZRHMNH-CWDCEQMOSA-N 2 0 277.412 1.310 10 30 CDEERP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001479724508 971385005 /nfs/dbraw/zinc/38/50/05/971385005.db2.gz OBVIKKSQVOVHPK-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001278398616 947559717 /nfs/dbraw/zinc/55/97/17/947559717.db2.gz OCQWJPLNUXHBAV-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001479915225 971485587 /nfs/dbraw/zinc/48/55/87/971485587.db2.gz OBZXMDQEDBYDEW-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001279044008 948636836 /nfs/dbraw/zinc/63/68/36/948636836.db2.gz FEOIACMCTJDPKR-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001278532437 949768879 /nfs/dbraw/zinc/76/88/79/949768879.db2.gz DGBNSMAZAKTRKK-KBPBESRZSA-N 2 0 267.417 1.482 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001480158275 971606655 /nfs/dbraw/zinc/60/66/55/971606655.db2.gz WZHPPQIXQZRPSK-VGWMRTNUSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480301504 971663464 /nfs/dbraw/zinc/66/34/64/971663464.db2.gz WREZHBIWHYZRJY-OAHLLOKOSA-N 2 0 291.439 1.487 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001278615212 950469785 /nfs/dbraw/zinc/46/97/85/950469785.db2.gz FLXXAAFLVDEHGD-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001480681356 971836783 /nfs/dbraw/zinc/83/67/83/971836783.db2.gz ZIMKULAREDCZPW-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001493138057 971956572 /nfs/dbraw/zinc/95/65/72/971956572.db2.gz OIYNBEQVHVFKSP-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001325915988 954139016 /nfs/dbraw/zinc/13/90/16/954139016.db2.gz HFLZMYBYLRQKQB-CABCVRRESA-N 2 0 279.428 1.578 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001325920730 954141777 /nfs/dbraw/zinc/14/17/77/954141777.db2.gz MBNRJSKYCJXDTA-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001493297238 972008918 /nfs/dbraw/zinc/00/89/18/972008918.db2.gz KHVAEIWWYHLYJW-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001328017898 955161517 /nfs/dbraw/zinc/16/15/17/955161517.db2.gz QRWHMCHYTCIARF-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001421668298 955462566 /nfs/dbraw/zinc/46/25/66/955462566.db2.gz XOQAZVJGTSLIQE-UONOGXRCSA-N 2 0 299.846 1.661 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2ccnc2)[C@H]1CC ZINC001316739193 956291814 /nfs/dbraw/zinc/29/18/14/956291814.db2.gz PTWNPVXLYWGZIW-QLFBSQMISA-N 2 0 288.395 1.437 10 30 CDEERP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001330359235 956394190 /nfs/dbraw/zinc/39/41/90/956394190.db2.gz HEUQBJJPYHEZTM-LVQVYYBASA-N 2 0 293.455 1.587 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494158522 972190949 /nfs/dbraw/zinc/19/09/49/972190949.db2.gz BBDWUAIGOWERNH-LSDHHAIUSA-N 2 0 281.444 1.539 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([NH3+])(CC)CC1 ZINC001330959656 956729992 /nfs/dbraw/zinc/72/99/92/956729992.db2.gz CQKDWYZXQBXHFB-JTQLQIEISA-N 2 0 259.781 1.186 10 30 CDEERP C=CCC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001316845258 957070379 /nfs/dbraw/zinc/07/03/79/957070379.db2.gz MIMGFWRJDQUZLO-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001316902346 957107936 /nfs/dbraw/zinc/10/79/36/957107936.db2.gz AYSGQGAKMCRDFT-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001331648809 957186947 /nfs/dbraw/zinc/18/69/47/957186947.db2.gz QPDWHHTZHHQZOW-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001332064723 957420798 /nfs/dbraw/zinc/42/07/98/957420798.db2.gz OUARPGXQRLKTTM-KBPBESRZSA-N 2 0 267.417 1.482 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001317381837 957442192 /nfs/dbraw/zinc/44/21/92/957442192.db2.gz BVDKOMSIWLVIAS-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001332859003 957893117 /nfs/dbraw/zinc/89/31/17/957893117.db2.gz VSKXOHFLSDQIAJ-HUUCEWRRSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001318175736 957955794 /nfs/dbraw/zinc/95/57/94/957955794.db2.gz DODJMKQNSIRUKX-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001318525146 958154501 /nfs/dbraw/zinc/15/45/01/958154501.db2.gz URCAOLCUMRNDCC-HUUCEWRRSA-N 2 0 279.428 1.367 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC=C(C)C ZINC001319473068 958583157 /nfs/dbraw/zinc/58/31/57/958583157.db2.gz ONSAOYRBEWEOGO-HOTGVXAUSA-N 2 0 291.439 1.487 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001368896612 959234476 /nfs/dbraw/zinc/23/44/76/959234476.db2.gz LLWROQINRHRHJD-NWDGAFQWSA-N 2 0 285.819 1.318 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001495160929 972431471 /nfs/dbraw/zinc/43/14/71/972431471.db2.gz OPLJNSXQCKTFGL-OAHLLOKOSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001321866199 959991414 /nfs/dbraw/zinc/99/14/14/959991414.db2.gz JPTZRZAGAGBGDY-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001336004690 960147107 /nfs/dbraw/zinc/14/71/07/960147107.db2.gz VRKHTYOPSDYPJE-KGLIPLIRSA-N 2 0 294.443 1.263 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001322725185 960308879 /nfs/dbraw/zinc/30/88/79/960308879.db2.gz WJKWUNLOJCHBNW-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1CC ZINC001323166574 960491101 /nfs/dbraw/zinc/49/11/01/960491101.db2.gz DEYDESXTTUUBGR-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001495470128 972511581 /nfs/dbraw/zinc/51/15/81/972511581.db2.gz KOBBZJLZHRSQPB-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP N#CCC1(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)CC1 ZINC001434507431 961576907 /nfs/dbraw/zinc/57/69/07/961576907.db2.gz IZEBGIRNBGSTOT-UHFFFAOYSA-N 2 0 291.439 1.993 10 30 CDEERP C=C(Cl)CN1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001420568675 963070181 /nfs/dbraw/zinc/07/01/81/963070181.db2.gz WEUYKCNWHUPDMG-UONOGXRCSA-N 2 0 299.846 1.519 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CCC[NH2+]1 ZINC001342738512 963813265 /nfs/dbraw/zinc/81/32/65/963813265.db2.gz MEONDTCTRZGJLF-UMVBOHGHSA-N 2 0 265.401 1.128 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001443928526 965671688 /nfs/dbraw/zinc/67/16/88/965671688.db2.gz DXHLEPWILQVVMG-JHJVBQTASA-N 2 0 287.835 1.564 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001448611221 967172438 /nfs/dbraw/zinc/17/24/38/967172438.db2.gz BVUSNNZHPMXPEL-ZIAGYGMSSA-N 2 0 299.846 1.517 10 30 CDEERP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001480329888 967378910 /nfs/dbraw/zinc/37/89/10/967378910.db2.gz AAOMYJYTUCRGQR-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP COCC#CC[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC001459786996 969451410 /nfs/dbraw/zinc/45/14/10/969451410.db2.gz SHFCNDOVHVMWLZ-UHFFFAOYSA-N 2 0 296.455 1.707 10 30 CDEERP C=C(C)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001500293654 974415886 /nfs/dbraw/zinc/41/58/86/974415886.db2.gz YFCCXINWEMXMCO-HNNXBMFYSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500402778 974431769 /nfs/dbraw/zinc/43/17/69/974431769.db2.gz ZPUCBQCZXMPWNE-WBVHZDCISA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001501090507 974531784 /nfs/dbraw/zinc/53/17/84/974531784.db2.gz DPDFSARNHQDTDH-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001501574110 974601162 /nfs/dbraw/zinc/60/11/62/974601162.db2.gz HEEFSIQRRJFLII-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001501617846 974608569 /nfs/dbraw/zinc/60/85/69/974608569.db2.gz GAIQSGMDRVFNMV-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501647203 974616777 /nfs/dbraw/zinc/61/67/77/974616777.db2.gz DOMJDCYEYHHXTQ-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001501994931 974670845 /nfs/dbraw/zinc/67/08/45/974670845.db2.gz QBVYGERQYULQSJ-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001505632459 974943462 /nfs/dbraw/zinc/94/34/62/974943462.db2.gz LHMYOKWEZFEAOR-KGLIPLIRSA-N 2 0 297.443 1.014 10 30 CDEERP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001505920696 975044366 /nfs/dbraw/zinc/04/43/66/975044366.db2.gz RSLMMJVCVKWEAW-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001506906007 975253469 /nfs/dbraw/zinc/25/34/69/975253469.db2.gz FPLANOYDIWRTJG-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001507327264 975417378 /nfs/dbraw/zinc/41/73/78/975417378.db2.gz IRFKUMRYLDORFH-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001406076919 976008787 /nfs/dbraw/zinc/00/87/87/976008787.db2.gz VOOZZZGTNIFQGE-OLZOCXBDSA-N 2 0 287.835 1.421 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001674723536 1173998923 /nfs/dbraw/zinc/99/89/23/1173998923.db2.gz ZKSPCQDBANAOPW-QWHCGFSZSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001676813613 1174276571 /nfs/dbraw/zinc/27/65/71/1174276571.db2.gz BAFXJEYANWIIMD-SQWLQELKSA-N 2 0 277.412 1.073 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001676872702 1174284748 /nfs/dbraw/zinc/28/47/48/1174284748.db2.gz KZALGXXNQLYUOG-HUUCEWRRSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH+]1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001677467448 1174363425 /nfs/dbraw/zinc/36/34/25/1174363425.db2.gz LYSIBHJMTISXKK-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001570374670 1170146783 /nfs/dbraw/zinc/14/67/83/1170146783.db2.gz WGLVZLRMBWGTCV-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001571324505 1170366384 /nfs/dbraw/zinc/36/63/84/1170366384.db2.gz HNQQAQCCMONSBL-STQMWFEESA-N 2 0 287.835 1.565 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001673202390 1171683023 /nfs/dbraw/zinc/68/30/23/1171683023.db2.gz WYEVEKHUALPCDS-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000594427926 342897623 /nfs/dbraw/zinc/89/76/23/342897623.db2.gz XZHALOCCRHNJMN-OAHLLOKOSA-N 2 0 286.379 1.682 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000594435852 342899251 /nfs/dbraw/zinc/89/92/51/342899251.db2.gz ANELCBZIBNZQJI-GJZGRUSLSA-N 2 0 292.427 1.484 10 30 CDEERP C[NH2+]CCOCC[N@H+](C)CCc1ccc(C#N)cc1 ZINC000600724500 349876884 /nfs/dbraw/zinc/87/68/84/349876884.db2.gz AEHCOEHKSSPEHE-UHFFFAOYSA-N 2 0 261.369 1.269 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001660330709 1172197863 /nfs/dbraw/zinc/19/78/63/1172197863.db2.gz WHOHLMUZMMYQIU-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001661753573 1172440602 /nfs/dbraw/zinc/44/06/02/1172440602.db2.gz YHNFRJJLHNYBMA-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP Cc1nccn1CCC[NH2+]Cc1nc(C#N)cs1 ZINC000352819176 374359163 /nfs/dbraw/zinc/35/91/63/374359163.db2.gz AABGSJGXDNZYLR-UHFFFAOYSA-N 2 0 261.354 1.700 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCCCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000638815345 374993871 /nfs/dbraw/zinc/99/38/71/374993871.db2.gz MKRMQBICLODFSS-HIFRSBDPSA-N 2 0 265.401 1.415 10 30 CDEERP C=C(C)CNC(=[NH2+])NCc1ccc(C[NH+](C)C)cc1 ZINC000071847217 379663255 /nfs/dbraw/zinc/66/32/55/379663255.db2.gz NGQJSIUCGLXYMH-UHFFFAOYSA-N 2 0 260.385 1.729 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001663014558 1172628732 /nfs/dbraw/zinc/62/87/32/1172628732.db2.gz YVXRXDCMGORFCK-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP COC[C@H]1CC[N@H+](Cc2cc(C#CC[NH3+])ccc2OC)C1 ZINC000081111055 177772303 /nfs/dbraw/zinc/77/23/03/177772303.db2.gz MLCOCYVIKDMKPK-HNNXBMFYSA-N 2 0 288.391 1.474 10 30 CDEERP C[NH+](C)CCC1CC[NH+](CCOCCC#N)CC1 ZINC000338924260 391232895 /nfs/dbraw/zinc/23/28/95/391232895.db2.gz GGFHRBPKJCKDHK-UHFFFAOYSA-N 2 0 253.390 1.580 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001663680128 1172746701 /nfs/dbraw/zinc/74/67/01/1172746701.db2.gz XLEQVWWLXJCOJS-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2CC[N@@H+](CC)C2)CCC[NH2+]1 ZINC000662681538 413304752 /nfs/dbraw/zinc/30/47/52/413304752.db2.gz HIXHWKGFTOKGCI-UKRRQHHQSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[C@]1(C(=O)N(C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662767797 413467068 /nfs/dbraw/zinc/46/70/68/413467068.db2.gz XJEGEYPDNZUUSP-OAHLLOKOSA-N 2 0 265.401 1.237 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC3(CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000662779145 413484381 /nfs/dbraw/zinc/48/43/81/413484381.db2.gz LUGASXIXWMKPGN-INIZCTEOSA-N 2 0 277.412 1.287 10 30 CDEERP C=CC[C@]1(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CCC[NH2+]1 ZINC000662783274 413493326 /nfs/dbraw/zinc/49/33/26/413493326.db2.gz DHSDXTLQHYTCKT-MRXNPFEDSA-N 2 0 271.364 1.927 10 30 CDEERP NC(=O)C[N@H+](Cc1sccc1C#CC[NH3+])C1CCCC1 ZINC000043684135 175092546 /nfs/dbraw/zinc/09/25/46/175092546.db2.gz DNYFPZLWXCCZFZ-UHFFFAOYSA-N 2 0 291.420 1.288 10 30 CDEERP C[NH+]1CCC(CNC(=O)c2cccc(C#CC[NH3+])c2)CC1 ZINC000044527361 175192535 /nfs/dbraw/zinc/19/25/35/175192535.db2.gz DMICPKWIFPTEFF-UHFFFAOYSA-N 2 0 285.391 1.068 10 30 CDEERP C[NH+](C)CC1CC[NH+](CCCC[C@@](C)(N)C#N)CC1 ZINC000045315797 175358043 /nfs/dbraw/zinc/35/80/43/175358043.db2.gz MAWJVYXQQPDJER-OAHLLOKOSA-N 2 0 266.433 1.671 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001666553049 1173150725 /nfs/dbraw/zinc/15/07/25/1173150725.db2.gz NUVZSSOCISNNJO-MELADBBJSA-N 2 0 267.417 1.245 10 30 CDEERP CO[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](OC)C2)C1 ZINC000341878431 263362075 /nfs/dbraw/zinc/36/20/75/263362075.db2.gz UKKRVOSORZZIEO-HZPDHXFCSA-N 2 0 280.412 1.211 10 30 CDEERP C=CC[C@@]1(C(=O)NCC2(C)CC[NH2+]CC2)CCC[NH2+]1 ZINC000662763768 424422012 /nfs/dbraw/zinc/42/20/12/424422012.db2.gz DBYFGBGVXRXYKT-HNNXBMFYSA-N 2 0 265.401 1.191 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]21 ZINC001667695214 1173312467 /nfs/dbraw/zinc/31/24/67/1173312467.db2.gz VLICFXAGIUVJPF-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001667764497 1173322565 /nfs/dbraw/zinc/32/25/65/1173322565.db2.gz QHUQGBZKSLRGNG-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001668517527 1173422263 /nfs/dbraw/zinc/42/22/63/1173422263.db2.gz ZRJYRARZZFKBGY-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP [NH2+]=C(NC1CC([NH+]2CCCCC2)C1)N1CCSCC1 ZINC000262420090 330009006 /nfs/dbraw/zinc/00/90/06/330009006.db2.gz AWGMDWPVZNTRDV-UHFFFAOYSA-N 2 0 282.457 1.367 10 30 CDEERP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262472919 330015918 /nfs/dbraw/zinc/01/59/18/330015918.db2.gz PHVQVHHDEOOEOK-LSDHHAIUSA-N 2 0 296.459 1.390 10 30 CDEERP CC[NH+](CC)[C@H]1CCN(C(NC2CCC2)=[NH+]C)C1 ZINC000262795269 330032047 /nfs/dbraw/zinc/03/20/47/330032047.db2.gz PKIJHNYMTPXDFI-ZDUSSCGKSA-N 2 0 252.406 1.530 10 30 CDEERP C=CCOc1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000106958139 330345864 /nfs/dbraw/zinc/34/58/64/330345864.db2.gz IAJXJDGTBHISSR-UHFFFAOYSA-N 2 0 275.396 1.246 10 30 CDEERP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001731833604 1159349605 /nfs/dbraw/zinc/34/96/05/1159349605.db2.gz HRZLBPFWJUXKSD-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001700448665 1176934363 /nfs/dbraw/zinc/93/43/63/1176934363.db2.gz TYROHODMRJXZGE-CQSZACIVSA-N 2 0 281.444 1.588 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485945683 1161447083 /nfs/dbraw/zinc/44/70/83/1161447083.db2.gz YURLWEJZMQKUJU-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000049189222 524589501 /nfs/dbraw/zinc/58/95/01/524589501.db2.gz WNVDCJRDNILQOW-AWEZNQCLSA-N 2 0 285.391 1.211 10 30 CDEERP [NH3+]CC#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CCO ZINC000049608677 527153011 /nfs/dbraw/zinc/15/30/11/527153011.db2.gz HGPHCKLEAAMKCF-KRWDZBQOSA-N 2 0 272.392 1.734 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001690242425 1175410504 /nfs/dbraw/zinc/41/05/04/1175410504.db2.gz ITCRWTLWEPHEOI-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000900428725 623042964 /nfs/dbraw/zinc/04/29/64/623042964.db2.gz GNVXQQAUONFGBY-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000900659987 623339565 /nfs/dbraw/zinc/33/95/65/623339565.db2.gz BXYOZKCPOJTCOW-AWEZNQCLSA-N 2 0 265.401 1.047 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000901027631 623820850 /nfs/dbraw/zinc/82/08/50/623820850.db2.gz WPPHKEBHQUIMPV-GXTWGEPZSA-N 2 0 265.401 1.093 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC(C)(C)C[N@@H+](C)CCC ZINC000912718741 630166432 /nfs/dbraw/zinc/16/64/32/630166432.db2.gz ABZIZFWWLDRADE-UHFFFAOYSA-N 2 0 269.433 1.731 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000876772225 630564677 /nfs/dbraw/zinc/56/46/77/630564677.db2.gz JXPHWUNRWAHTCF-OLZOCXBDSA-N 2 0 287.835 1.789 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000917136337 632159800 /nfs/dbraw/zinc/15/98/00/632159800.db2.gz AJTMCWSCRQZFAI-GXTWGEPZSA-N 2 0 280.416 1.029 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001699750656 1158536412 /nfs/dbraw/zinc/53/64/12/1158536412.db2.gz MZAUMGMZPWGSIG-LSDHHAIUSA-N 2 0 279.428 1.626 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001772519138 1158568443 /nfs/dbraw/zinc/56/84/43/1158568443.db2.gz QIDPKNSMTOQBJH-CYBMUJFWSA-N 2 0 291.395 1.463 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691268167 1158986365 /nfs/dbraw/zinc/98/63/65/1158986365.db2.gz DEVUBORYMVAVLF-ARFHVFGLSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001266942269 1159004299 /nfs/dbraw/zinc/00/42/99/1159004299.db2.gz LCSFCVDGTDTEPT-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)C1CC[NH+](C)CC1 ZINC001700520103 1160685566 /nfs/dbraw/zinc/68/55/66/1160685566.db2.gz IAGNYTUNYCHQMK-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001566844285 1168442211 /nfs/dbraw/zinc/44/22/11/1168442211.db2.gz FNWXCHZVRZTYBT-GASCZTMLSA-N 2 0 289.423 1.123 10 30 CDEERP C#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001567749154 1168949547 /nfs/dbraw/zinc/94/95/47/1168949547.db2.gz YXRFIJKASCXETJ-MRXNPFEDSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567943925 1169085590 /nfs/dbraw/zinc/08/55/90/1169085590.db2.gz JGIOLXWFLFELBM-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001568880332 1169531461 /nfs/dbraw/zinc/53/14/61/1169531461.db2.gz YZDCOIMOVCUZOQ-PLNGDYQASA-N 2 0 277.412 1.453 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001570543310 1170186189 /nfs/dbraw/zinc/18/61/89/1170186189.db2.gz GFBJBPDRIDPEIW-CABCVRRESA-N 2 0 281.444 1.681 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001570716115 1170250384 /nfs/dbraw/zinc/25/03/84/1170250384.db2.gz MZLLZSXGYKKWTM-GFCCVEGCSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001570754195 1170273765 /nfs/dbraw/zinc/27/37/65/1170273765.db2.gz YODMFAZGQGZWQO-CYBMUJFWSA-N 2 0 255.406 1.339 10 30 CDEERP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001570896657 1170312661 /nfs/dbraw/zinc/31/26/61/1170312661.db2.gz HYSDRNFMBMJSPA-ZIAGYGMSSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001660791432 1172278323 /nfs/dbraw/zinc/27/83/23/1172278323.db2.gz MLLHVMVPBQGPIC-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001667393672 1173263328 /nfs/dbraw/zinc/26/33/28/1173263328.db2.gz ORHZAZYZYOUELL-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001673993316 1173904846 /nfs/dbraw/zinc/90/48/46/1173904846.db2.gz ISCNIKNOIFJYHP-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001674856403 1174016214 /nfs/dbraw/zinc/01/62/14/1174016214.db2.gz FORIORMNYAMUQB-UHFFFAOYSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001691752564 1174032082 /nfs/dbraw/zinc/03/20/82/1174032082.db2.gz MNDOHUJKFCCHSF-SOUVJXGZSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001675478906 1174118573 /nfs/dbraw/zinc/11/85/73/1174118573.db2.gz FIUXLYWQDLSXDD-ZIAGYGMSSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001677411039 1174358047 /nfs/dbraw/zinc/35/80/47/1174358047.db2.gz SBMUAOWZCJRFPX-UHFFFAOYSA-N 2 0 291.439 1.770 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC)C2)CC1 ZINC001690368158 1175451481 /nfs/dbraw/zinc/45/14/81/1175451481.db2.gz OMWJANWKMKCXPZ-IYBDPMFKSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001692278244 1175722947 /nfs/dbraw/zinc/72/29/47/1175722947.db2.gz ZFGAYHLZJVMOFV-CVEARBPZSA-N 2 0 291.439 1.132 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001698561444 1175844790 /nfs/dbraw/zinc/84/47/90/1175844790.db2.gz GBCBMQDHWIQRJN-CQSZACIVSA-N 2 0 277.412 1.027 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001698915898 1175983883 /nfs/dbraw/zinc/98/38/83/1175983883.db2.gz FOYTYIJZSZHPHH-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001699335843 1176259612 /nfs/dbraw/zinc/25/96/12/1176259612.db2.gz MADMQEJDTAEAJT-JBZXTQMFSA-N 2 0 279.428 1.555 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001699369723 1176325360 /nfs/dbraw/zinc/32/53/60/1176325360.db2.gz TUNZEHQKTJTUSJ-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001699422874 1176387358 /nfs/dbraw/zinc/38/73/58/1176387358.db2.gz QAAKXGNFHKJEPA-ZDUSSCGKSA-N 2 0 269.433 1.635 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001699539176 1176468070 /nfs/dbraw/zinc/46/80/70/1176468070.db2.gz JBPQRPPQEDCNRD-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001699554339 1176472403 /nfs/dbraw/zinc/47/24/03/1176472403.db2.gz ORXGAOKNZBPBEF-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCOCC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001699823551 1176643337 /nfs/dbraw/zinc/64/33/37/1176643337.db2.gz HCBSGUSDEHGQEO-MRXNPFEDSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001700348645 1176860446 /nfs/dbraw/zinc/86/04/46/1176860446.db2.gz DQAKCRSGLRTFJA-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH+](C)C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001700698175 1177079644 /nfs/dbraw/zinc/07/96/44/1177079644.db2.gz SFXMFYWZUWGYBO-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001700849097 1177165423 /nfs/dbraw/zinc/16/54/23/1177165423.db2.gz XISXCOGBGHPIMZ-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCCC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001701026821 1177245595 /nfs/dbraw/zinc/24/55/95/1177245595.db2.gz WOPQSBYWWBUTRR-UHFFFAOYSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001707269812 1177987607 /nfs/dbraw/zinc/98/76/07/1177987607.db2.gz WSGJFHLHUFNRAF-PMPSAXMXSA-N 2 0 293.455 1.872 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001713031122 1178317430 /nfs/dbraw/zinc/31/74/30/1178317430.db2.gz OJLKZXWMLAUHQC-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001713124559 1178383287 /nfs/dbraw/zinc/38/32/87/1178383287.db2.gz IHSWHKJSQITIBJ-CABCVRRESA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713202584 1178430008 /nfs/dbraw/zinc/43/00/08/1178430008.db2.gz JPUGFISSTTXOAZ-OAGGEKHMSA-N 2 0 291.439 1.511 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001713278134 1178463929 /nfs/dbraw/zinc/46/39/29/1178463929.db2.gz REWWEEUSDYRXQD-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001713867041 1178803368 /nfs/dbraw/zinc/80/33/68/1178803368.db2.gz ZWKFSUROCBKCPM-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001714049063 1178946612 /nfs/dbraw/zinc/94/66/12/1178946612.db2.gz GPFPRHHOOPHWLB-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001714119000 1178982139 /nfs/dbraw/zinc/98/21/39/1178982139.db2.gz DMSMYPGVOWCDSG-RDJZCZTQSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001714152131 1178992195 /nfs/dbraw/zinc/99/21/95/1178992195.db2.gz ZCGRZPJHXGMAGG-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001714157571 1178994830 /nfs/dbraw/zinc/99/48/30/1178994830.db2.gz SZZAPJGXUMSVMG-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001714290334 1179068875 /nfs/dbraw/zinc/06/88/75/1179068875.db2.gz CUELHAQNEJTGOT-GOEBONIOSA-N 2 0 287.407 1.407 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001714561271 1179216621 /nfs/dbraw/zinc/21/66/21/1179216621.db2.gz OVOGLNLSNGXFKX-HNNXBMFYSA-N 2 0 285.407 1.433 10 30 CDEERP C=CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001714669246 1179312386 /nfs/dbraw/zinc/31/23/86/1179312386.db2.gz HCLZKLPAKGOJIM-UHFFFAOYSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715066114 1179537281 /nfs/dbraw/zinc/53/72/81/1179537281.db2.gz TVPPMAXLOYQWBJ-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCCC[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001715071212 1179539033 /nfs/dbraw/zinc/53/90/33/1179539033.db2.gz IOFJFDVNRSKBMW-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001715188762 1179573654 /nfs/dbraw/zinc/57/36/54/1179573654.db2.gz VQTWJQVAKBBDOU-HDJSIYSDSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001715473796 1179676428 /nfs/dbraw/zinc/67/64/28/1179676428.db2.gz MBFULDFXPWBCKY-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(CC)CCO1 ZINC001715537313 1179707320 /nfs/dbraw/zinc/70/73/20/1179707320.db2.gz QJGFBMMLOODXSK-HNNXBMFYSA-N 2 0 297.443 1.064 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001715836753 1179859079 /nfs/dbraw/zinc/85/90/79/1179859079.db2.gz ZNRHGCCUKPPDQS-MSNYOWOLSA-N 2 0 291.439 1.841 10 30 CDEERP C#CCC[NH+]1CCC(C)(NC(=O)CCc2c[nH]cn2)CC1 ZINC001716796393 1180418920 /nfs/dbraw/zinc/41/89/20/1180418920.db2.gz YTNMIXBFPGMQAJ-UHFFFAOYSA-N 2 0 288.395 1.336 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001717109410 1180533175 /nfs/dbraw/zinc/53/31/75/1180533175.db2.gz CVDSORURQHTIPE-UONOGXRCSA-N 2 0 299.846 1.519 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001717186832 1180564503 /nfs/dbraw/zinc/56/45/03/1180564503.db2.gz TZFCIKRVOYCYBW-OAHLLOKOSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001717199102 1180570272 /nfs/dbraw/zinc/57/02/72/1180570272.db2.gz FVGPQJZHXDXMTI-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001717385137 1180641712 /nfs/dbraw/zinc/64/17/12/1180641712.db2.gz XHQLLZQFHOZIGR-UHFFFAOYSA-N 2 0 265.401 1.141 10 30 CDEERP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001717445056 1180676359 /nfs/dbraw/zinc/67/63/59/1180676359.db2.gz LKDSARXASNDSKQ-GPANFISMSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001717538912 1180728165 /nfs/dbraw/zinc/72/81/65/1180728165.db2.gz OJWFCNVDMMJIDN-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001717729306 1180814406 /nfs/dbraw/zinc/81/44/06/1180814406.db2.gz ZYQFRAWQXXJGRU-LSDHHAIUSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001717756400 1180833056 /nfs/dbraw/zinc/83/30/56/1180833056.db2.gz DNXBMVIPFOQRBT-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001717756399 1180834251 /nfs/dbraw/zinc/83/42/51/1180834251.db2.gz DNXBMVIPFOQRBT-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001717843181 1180888490 /nfs/dbraw/zinc/88/84/90/1180888490.db2.gz WHOPXAFJRGGZHG-DOTOQJQBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001717880837 1180910939 /nfs/dbraw/zinc/91/09/39/1180910939.db2.gz IWWUCEHSDWZTDV-HZPDHXFCSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001723114800 1181519058 /nfs/dbraw/zinc/51/90/58/1181519058.db2.gz UJLGNNPZRWSINR-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CC)CC1 ZINC001724065303 1181632792 /nfs/dbraw/zinc/63/27/92/1181632792.db2.gz RWFWEOZAPFKLAS-UHFFFAOYSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001724551318 1181694169 /nfs/dbraw/zinc/69/41/69/1181694169.db2.gz AKDRPINIMSMCPR-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001724962052 1181809166 /nfs/dbraw/zinc/80/91/66/1181809166.db2.gz QVKCEMXNEYBEKZ-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001725357052 1181970566 /nfs/dbraw/zinc/97/05/66/1181970566.db2.gz PFVQBVBDKZKHRN-FPCVCCKLSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001725356100 1181970788 /nfs/dbraw/zinc/97/07/88/1181970788.db2.gz ALNDRFHBSQRBBZ-KLHDSHLOSA-N 2 0 293.455 1.777 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C ZINC001725753139 1182121503 /nfs/dbraw/zinc/12/15/03/1182121503.db2.gz TTWSFZHOCMDIJU-CYBMUJFWSA-N 2 0 269.433 1.635 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001731293643 1182299098 /nfs/dbraw/zinc/29/90/98/1182299098.db2.gz BWMRXWFMVDKDFP-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001731321466 1182317693 /nfs/dbraw/zinc/31/76/93/1182317693.db2.gz FQYBBYSCMFJFQS-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001731395132 1182358705 /nfs/dbraw/zinc/35/87/05/1182358705.db2.gz HXIWDDQLENUJHQ-CVEARBPZSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001731488865 1182416523 /nfs/dbraw/zinc/41/65/23/1182416523.db2.gz ZRKYUHMGCYIQRH-IYBDPMFKSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001731695694 1182520558 /nfs/dbraw/zinc/52/05/58/1182520558.db2.gz TZJSVMQCQYIILY-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C ZINC001732357896 1182925303 /nfs/dbraw/zinc/92/53/03/1182925303.db2.gz FDKVSBUOOHLKNU-JTQLQIEISA-N 2 0 261.797 1.033 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001732568609 1183014203 /nfs/dbraw/zinc/01/42/03/1183014203.db2.gz PYIXXZWMFTXKBF-OAHLLOKOSA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)C ZINC001732572515 1183016251 /nfs/dbraw/zinc/01/62/51/1183016251.db2.gz SYFOBPBKRMNSLL-HOCLYGCPSA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[NH+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001733219703 1183347131 /nfs/dbraw/zinc/34/71/31/1183347131.db2.gz PQDLGMSNTQFNEQ-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCC1 ZINC001733384435 1183415319 /nfs/dbraw/zinc/41/53/19/1183415319.db2.gz VWQDPAMMFYODHT-HNNXBMFYSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001733563835 1183467133 /nfs/dbraw/zinc/46/71/33/1183467133.db2.gz CJKKBWMUYWGTOB-JYJNAYRXSA-N 2 0 291.439 1.226 10 30 CDEERP CC#CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001733695495 1183497997 /nfs/dbraw/zinc/49/79/97/1183497997.db2.gz FSLDVUSBHFYGTF-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001734093269 1183654874 /nfs/dbraw/zinc/65/48/74/1183654874.db2.gz IOUOUIGDKPXRTR-HOTGVXAUSA-N 2 0 291.439 1.226 10 30 CDEERP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001734424029 1183773739 /nfs/dbraw/zinc/77/37/39/1183773739.db2.gz DIPPOOJMRRSUQF-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001734451307 1183782406 /nfs/dbraw/zinc/78/24/06/1183782406.db2.gz WPJWCOLVZLSUBJ-HRCADAONSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001734476621 1183794390 /nfs/dbraw/zinc/79/43/90/1183794390.db2.gz GEMYGEGPULTPJD-HOCLYGCPSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001611392251 1165492981 /nfs/dbraw/zinc/49/29/81/1165492981.db2.gz LPZRDWJIGGPGFO-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000876838478 776589055 /nfs/dbraw/zinc/58/90/55/776589055.db2.gz KMTFYUXQOSLJND-GHMZBOCLSA-N 2 0 259.781 1.044 10 30 CDEERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852868201 774453525 /nfs/dbraw/zinc/45/35/25/774453525.db2.gz PSOXXRCVUPAHPG-MRXNPFEDSA-N 2 0 291.439 1.084 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000876756101 774823108 /nfs/dbraw/zinc/82/31/08/774823108.db2.gz ZKADIPZGOKFSRI-STQMWFEESA-N 2 0 285.819 1.543 10 30 CDEERP C[NH+]1C[C@]2(C)CN(C[C@@H](O)c3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC000931312393 775025469 /nfs/dbraw/zinc/02/54/69/775025469.db2.gz WVGOGXGPWDOFPO-KZNAEPCWSA-N 2 0 299.418 1.865 10 30 CDEERP CC#CCCCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019803 775705013 /nfs/dbraw/zinc/70/50/13/775705013.db2.gz QXTSYFICHSERFE-HZPDHXFCSA-N 2 0 293.455 1.378 10 30 CDEERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000863544333 776678793 /nfs/dbraw/zinc/67/87/93/776678793.db2.gz QUEXMUJTOFDTRD-ZDUSSCGKSA-N 2 0 277.368 1.476 10 30 CDEERP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1C#N ZINC000925615473 776812920 /nfs/dbraw/zinc/81/29/20/776812920.db2.gz HDNUPGUIAXLATA-CABCVRRESA-N 2 0 271.364 1.926 10 30 CDEERP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303975546 777219691 /nfs/dbraw/zinc/21/96/91/777219691.db2.gz JEOZPLBHXDUIJP-ZIAGYGMSSA-N 2 0 282.432 1.144 10 30 CDEERP C[N@@H+]1C[C@@H]2C[NH+](CCc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933734142 777238962 /nfs/dbraw/zinc/23/89/62/777238962.db2.gz MIXDSAQMAIPFBU-SJORKVTESA-N 2 0 269.392 1.984 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000874844814 778332169 /nfs/dbraw/zinc/33/21/69/778332169.db2.gz TYRDHBACQPWAKR-HZPDHXFCSA-N 2 0 289.423 1.027 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000876740534 778351410 /nfs/dbraw/zinc/35/14/10/778351410.db2.gz IMEIJDBHWZTANQ-LBPRGKRZSA-N 2 0 273.808 1.304 10 30 CDEERP C=CCN1CC[C@H]([NH+]2CCC3(CC[NH+](C)CC3)CC2)C1=O ZINC000879250846 778388345 /nfs/dbraw/zinc/38/83/45/778388345.db2.gz KAIWZOLFMSQWEP-HNNXBMFYSA-N 2 0 291.439 1.581 10 30 CDEERP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000923413757 778783238 /nfs/dbraw/zinc/78/32/38/778783238.db2.gz GUPVYRTVWJWCEB-GVDBMIGSSA-N 2 0 285.391 1.666 10 30 CDEERP C#Cc1ccc(NC(=O)CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000929312160 778860152 /nfs/dbraw/zinc/86/01/52/778860152.db2.gz ILBPQOFUTNZUGR-GJZGRUSLSA-N 2 0 283.375 1.148 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001566739261 1168405702 /nfs/dbraw/zinc/40/57/02/1168405702.db2.gz WFLROUAHZBARSZ-HZPDHXFCSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[NH2+]C1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001566984888 1168488110 /nfs/dbraw/zinc/48/81/10/1168488110.db2.gz GNTPRTAEGBOVQY-NRXISQOPSA-N 2 0 281.444 1.776 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001266836766 896158998 /nfs/dbraw/zinc/15/89/98/896158998.db2.gz XGDVPVSPYXYPJA-UHFFFAOYSA-N 2 0 255.406 1.198 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001567591164 1168876617 /nfs/dbraw/zinc/87/66/17/1168876617.db2.gz ZIZGXHUOAOTSSR-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267588581 898587527 /nfs/dbraw/zinc/58/75/27/898587527.db2.gz WOKLDCHGLNJXPU-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267589576 898596555 /nfs/dbraw/zinc/59/65/55/898596555.db2.gz KTZCOUFZHLWSCO-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267596336 898652517 /nfs/dbraw/zinc/65/25/17/898652517.db2.gz YHYOIBVACMNYNS-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267805816 899777163 /nfs/dbraw/zinc/77/71/63/899777163.db2.gz IVQOOEISOMDCNB-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267826837 899825468 /nfs/dbraw/zinc/82/54/68/899825468.db2.gz CNFVZIVMLHTSEV-QWHCGFSZSA-N 2 0 255.406 1.243 10 30 CDEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001267933001 900001555 /nfs/dbraw/zinc/00/15/55/900001555.db2.gz YNJLULIKNDHCIV-SHTZXODSSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001268011133 900280487 /nfs/dbraw/zinc/28/04/87/900280487.db2.gz RZXVQQRWHLMKDI-CQSZACIVSA-N 2 0 279.428 1.390 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481446226 900686392 /nfs/dbraw/zinc/68/63/92/900686392.db2.gz FMBZHMBBNVTKBY-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001481513452 901006796 /nfs/dbraw/zinc/00/67/96/901006796.db2.gz OXXZKVZTONKUGM-INIZCTEOSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001268163612 901460578 /nfs/dbraw/zinc/46/05/78/901460578.db2.gz YYSAMNVVVWMNJI-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268440130 902059267 /nfs/dbraw/zinc/05/92/67/902059267.db2.gz WWDYVWGYMXYLAK-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001481823779 902174314 /nfs/dbraw/zinc/17/43/14/902174314.db2.gz LKNLYPBMALYQLM-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001481982845 902431480 /nfs/dbraw/zinc/43/14/80/902431480.db2.gz OVUNMRFZBQDFPR-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269250213 903609526 /nfs/dbraw/zinc/60/95/26/903609526.db2.gz AVPXFZXCNXKRNB-GJZGRUSLSA-N 2 0 279.428 1.129 10 30 CDEERP C=CCC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001269332881 903703561 /nfs/dbraw/zinc/70/35/61/903703561.db2.gz RMBXVRQQUUJDPJ-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001269494010 903859932 /nfs/dbraw/zinc/85/99/32/903859932.db2.gz MAVPNJXOALVMPA-UHFFFAOYSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001269962004 904236291 /nfs/dbraw/zinc/23/62/91/904236291.db2.gz WALAZMKHKBMHMB-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CC(=C)C)CC1 ZINC001270603019 904778782 /nfs/dbraw/zinc/77/87/82/904778782.db2.gz JWRKTSJJJXRRFY-HNNXBMFYSA-N 2 0 291.439 1.250 10 30 CDEERP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001270649799 904880410 /nfs/dbraw/zinc/88/04/10/904880410.db2.gz PUCJCXMSIAJSSU-ZFWWWQNUSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001270745262 905008680 /nfs/dbraw/zinc/00/86/80/905008680.db2.gz XUDBLFIIEXXYGN-NVXWUHKLSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001270744931 905010076 /nfs/dbraw/zinc/01/00/76/905010076.db2.gz RACZHIDQTVVDCK-GDBMZVCRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001280394225 906284452 /nfs/dbraw/zinc/28/44/52/906284452.db2.gz FRGLCUJKMKZIJM-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001271837829 906878976 /nfs/dbraw/zinc/87/89/76/906878976.db2.gz LWUBQUBDOQFWLZ-SOUVJXGZSA-N 2 0 281.444 1.633 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001567921399 1169072213 /nfs/dbraw/zinc/07/22/13/1169072213.db2.gz WYKQWEXLWPQHHS-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001482684643 908278934 /nfs/dbraw/zinc/27/89/34/908278934.db2.gz QBVADBGZEVNOFU-CABCVRRESA-N 2 0 289.423 1.123 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001568075685 1169133064 /nfs/dbraw/zinc/13/30/64/1169133064.db2.gz GRPYFZFBPCGNHE-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001485087003 916482080 /nfs/dbraw/zinc/48/20/80/916482080.db2.gz HSQMFLIDGIEBHO-BPCQOVAHSA-N 2 0 285.819 1.318 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485230066 916682863 /nfs/dbraw/zinc/68/28/63/916682863.db2.gz PKOYGAYLXPJBGP-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001490890594 936656787 /nfs/dbraw/zinc/65/67/87/936656787.db2.gz YSXFVPIQTYKZRI-KBUPBQIOSA-N 2 0 279.428 1.530 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001486129739 920734978 /nfs/dbraw/zinc/73/49/78/920734978.db2.gz OEQAYFDCSQHZKX-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001486183859 920789531 /nfs/dbraw/zinc/78/95/31/920789531.db2.gz NDXACYPUHOLQDD-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001490903742 936688064 /nfs/dbraw/zinc/68/80/64/936688064.db2.gz FMAXPZYESLVFAD-SHTZXODSSA-N 2 0 291.439 1.818 10 30 CDEERP C[C@@H](C#N)OCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691877291 936785330 /nfs/dbraw/zinc/78/53/30/936785330.db2.gz YAGKNPHGOZMPPR-AWEZNQCLSA-N 2 0 265.401 1.723 10 30 CDEERP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001273848470 926106260 /nfs/dbraw/zinc/10/62/60/926106260.db2.gz JSBOMTWNDGDKPE-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001490777857 927340625 /nfs/dbraw/zinc/34/06/25/927340625.db2.gz TUHRAUXVJUBNKY-JKSUJKDBSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001318595156 931061660 /nfs/dbraw/zinc/06/16/60/931061660.db2.gz NLYNVJWAPVBGOK-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)c1sccc1C[NH+](C)C ZINC001274076648 931158962 /nfs/dbraw/zinc/15/89/62/931158962.db2.gz SEDSSUJTJOGAMJ-WAYWQWQTSA-N 2 0 293.436 1.871 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001276219218 932660501 /nfs/dbraw/zinc/66/05/01/932660501.db2.gz REWWWZWXOGVWJP-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001568700306 1169437852 /nfs/dbraw/zinc/43/78/52/1169437852.db2.gz YPMOMULBPFMYBB-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001276611881 940433794 /nfs/dbraw/zinc/43/37/94/940433794.db2.gz LNLUIHXYUNQCSY-HOTGVXAUSA-N 2 0 293.455 1.777 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001276686876 940698637 /nfs/dbraw/zinc/69/86/37/940698637.db2.gz NWDHRLHEDGQYNG-HIFRSBDPSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001276839856 941635232 /nfs/dbraw/zinc/63/52/32/941635232.db2.gz MGPXHWXLTOZMBQ-HRCADAONSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001281868406 942627140 /nfs/dbraw/zinc/62/71/40/942627140.db2.gz MEWPHCAJWQKEFG-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001281957668 942636979 /nfs/dbraw/zinc/63/69/79/942636979.db2.gz SZDJXVVKGDOBHU-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001282495833 942723439 /nfs/dbraw/zinc/72/34/39/942723439.db2.gz VZSJNEYMCVPFEO-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001283617594 942949573 /nfs/dbraw/zinc/94/95/73/942949573.db2.gz JNLHENHPTKJCPM-GJZGRUSLSA-N 2 0 283.460 1.975 10 30 CDEERP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001283939868 943032877 /nfs/dbraw/zinc/03/28/77/943032877.db2.gz NSIDSMSLUZXUMM-HUUCEWRRSA-N 2 0 297.443 1.108 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284018310 943051294 /nfs/dbraw/zinc/05/12/94/943051294.db2.gz SPKSBHASTLTIRZ-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)CCC)CC1 ZINC001284702475 943246117 /nfs/dbraw/zinc/24/61/17/943246117.db2.gz OXYAFLFKOPCGIX-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001284724028 943248595 /nfs/dbraw/zinc/24/85/95/943248595.db2.gz RDCMZPXSMSLZMG-HOCLYGCPSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C ZINC001332804838 943305991 /nfs/dbraw/zinc/30/59/91/943305991.db2.gz BKSUMTHFKPMAAO-KBPBESRZSA-N 2 0 299.434 1.420 10 30 CDEERP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001263821532 943988368 /nfs/dbraw/zinc/98/83/68/943988368.db2.gz UKMXHVQDCCNZNN-OAHLLOKOSA-N 2 0 279.428 1.581 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001263874249 944016507 /nfs/dbraw/zinc/01/65/07/944016507.db2.gz WRHXDCYTKBTFDB-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001264403759 944127728 /nfs/dbraw/zinc/12/77/28/944127728.db2.gz XRQLSOSMDOEBLN-OKILXGFUSA-N 2 0 279.428 1.082 10 30 CDEERP C#CC[NH+](CCCNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001265164642 944256460 /nfs/dbraw/zinc/25/64/60/944256460.db2.gz PFYMRPHWTIQWHJ-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001265334608 944348613 /nfs/dbraw/zinc/34/86/13/944348613.db2.gz VPOULZZOTOMLQY-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001265358795 944358963 /nfs/dbraw/zinc/35/89/63/944358963.db2.gz QLSHTNZBRTZDBY-JKSUJKDBSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265481595 944404325 /nfs/dbraw/zinc/40/43/25/944404325.db2.gz PBIRCDLFLRWJRC-HDJSIYSDSA-N 2 0 279.428 1.674 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001265833118 944532629 /nfs/dbraw/zinc/53/26/29/944532629.db2.gz XQIMHCVBNLQESJ-LSDHHAIUSA-N 2 0 279.428 1.367 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001568851163 1169517688 /nfs/dbraw/zinc/51/76/88/1169517688.db2.gz YLIMDPPSKQOYSA-IDTUSYRASA-N 2 0 279.428 1.697 10 30 CDEERP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001261283003 946036758 /nfs/dbraw/zinc/03/67/58/946036758.db2.gz BFUIBIRYDQFQKV-MRXNPFEDSA-N 2 0 291.439 1.439 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001479724365 971384510 /nfs/dbraw/zinc/38/45/10/971384510.db2.gz MIITZIRCFOCXAC-QLFBSQMISA-N 2 0 279.428 1.175 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001480026241 971544471 /nfs/dbraw/zinc/54/44/71/971544471.db2.gz CXZDNMDQUMUUAL-HZPDHXFCSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480387271 971696145 /nfs/dbraw/zinc/69/61/45/971696145.db2.gz QGDLXDLKLZPRNM-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001480672488 971833204 /nfs/dbraw/zinc/83/32/04/971833204.db2.gz LHFSOWGIENOSKH-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001480740551 971856126 /nfs/dbraw/zinc/85/61/26/971856126.db2.gz ZWUPROYXJUCCOX-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CCC)CC1 ZINC001324420284 953382556 /nfs/dbraw/zinc/38/25/56/953382556.db2.gz OKZBLQNKCPCINL-INIZCTEOSA-N 2 0 293.455 1.663 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569153300 1169695577 /nfs/dbraw/zinc/69/55/77/1169695577.db2.gz RUCJXDPEXCOXDC-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001326350799 954334878 /nfs/dbraw/zinc/33/48/78/954334878.db2.gz DBSTXHQCKXEACN-HUUCEWRRSA-N 2 0 281.444 1.587 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001328621347 955381169 /nfs/dbraw/zinc/38/11/69/955381169.db2.gz IBXGJSFPOWKHSH-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001491894198 955494745 /nfs/dbraw/zinc/49/47/45/955494745.db2.gz NAFAMSCZQRAVLA-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001493721077 972106226 /nfs/dbraw/zinc/10/62/26/972106226.db2.gz SNQOJPUYOKOYPX-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001492085358 955646311 /nfs/dbraw/zinc/64/63/11/955646311.db2.gz RIMGGSMHXUANAL-OLZOCXBDSA-N 2 0 255.406 1.387 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)C(C)C ZINC001493875964 972132396 /nfs/dbraw/zinc/13/23/96/972132396.db2.gz ZSBXFRCUFXQAHP-KRWDZBQOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001493961229 972145511 /nfs/dbraw/zinc/14/55/11/972145511.db2.gz NTQVRKFNQGPMEP-HUUCEWRRSA-N 2 0 279.428 1.580 10 30 CDEERP C#CCC[NH2+][C@@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001329766167 956105233 /nfs/dbraw/zinc/10/52/33/956105233.db2.gz WADNGORIFHQJDS-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001329803391 956119548 /nfs/dbraw/zinc/11/95/48/956119548.db2.gz REWWWZWXOGVWJP-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP 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 956395262 /nfs/dbraw/zinc/39/52/62/956395262.db2.gz PWOKCQQAFUYHRO-FPCVCCKLSA-N 2 0 291.439 1.198 10 30 CDEERP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001330359421 956395558 /nfs/dbraw/zinc/39/55/58/956395558.db2.gz ICPQFOIPFMASAJ-PHZGNYQRSA-N 2 0 291.439 1.036 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317043757 957223514 /nfs/dbraw/zinc/22/35/14/957223514.db2.gz PEWVZJBDLCPCBV-OAHLLOKOSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001317093647 957266090 /nfs/dbraw/zinc/26/60/90/957266090.db2.gz YLCIKNUYGYDJLJ-HDJSIYSDSA-N 2 0 265.401 1.285 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001317625207 957606639 /nfs/dbraw/zinc/60/66/39/957606639.db2.gz CEHUFXBZWLNIRW-UHFFFAOYSA-N 2 0 267.417 1.036 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001317664134 957629733 /nfs/dbraw/zinc/62/97/33/957629733.db2.gz KBUAUWSJPQMNBW-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001367221185 957851561 /nfs/dbraw/zinc/85/15/61/957851561.db2.gz QKFYBJCPKBXERK-GXTWGEPZSA-N 2 0 299.846 1.661 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)CCc2c[nH]cn2)C1 ZINC001333076463 958056821 /nfs/dbraw/zinc/05/68/21/958056821.db2.gz YUEHSLFOXQSLJU-UHFFFAOYSA-N 2 0 276.384 1.497 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001333075165 958058709 /nfs/dbraw/zinc/05/87/09/958058709.db2.gz HCOYNUJDPSNPDU-UYSNPLJNSA-N 2 0 291.439 1.463 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCC1 ZINC001318652921 958213348 /nfs/dbraw/zinc/21/33/48/958213348.db2.gz LWBBSFJRKAVESD-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001318846663 958280387 /nfs/dbraw/zinc/28/03/87/958280387.db2.gz UQUILWQAUYBITQ-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001319473012 958582453 /nfs/dbraw/zinc/58/24/53/958582453.db2.gz NDZHANUQBZORCN-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001319926542 958792558 /nfs/dbraw/zinc/79/25/58/958792558.db2.gz CGGXNOBDNSKZAY-HNNXBMFYSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001319958414 958817439 /nfs/dbraw/zinc/81/74/39/958817439.db2.gz QDXJHLNWJLZCHY-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001320550536 959235928 /nfs/dbraw/zinc/23/59/28/959235928.db2.gz YEXVOPUGPVKJIN-CYBMUJFWSA-N 2 0 269.433 1.635 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001320861562 959427680 /nfs/dbraw/zinc/42/76/80/959427680.db2.gz APZNQBFEFBZUIT-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)CC[NH+](C)C ZINC001321642853 959885761 /nfs/dbraw/zinc/88/57/61/959885761.db2.gz YWEJKVCUAXPZKU-OAHLLOKOSA-N 2 0 287.407 1.084 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001341716581 963519727 /nfs/dbraw/zinc/51/97/27/963519727.db2.gz IVAYWPYTLIDJNT-MJBXVCDLSA-N 2 0 267.417 1.611 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001569549792 1169919908 /nfs/dbraw/zinc/91/99/08/1169919908.db2.gz HXMMIAKGTXFLRQ-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH+]1CCC(NC(=O)CC[N@H+]2CC[C@@H](F)C2)CC1 ZINC001465396997 969869935 /nfs/dbraw/zinc/86/99/35/969869935.db2.gz WSUYXCSHIIBVDR-CQSZACIVSA-N 2 0 295.402 1.024 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001495667201 972587735 /nfs/dbraw/zinc/58/77/35/972587735.db2.gz PIAQWECTYXQAMY-ZFWWWQNUSA-N 2 0 279.428 1.246 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001496904937 973140114 /nfs/dbraw/zinc/14/01/14/973140114.db2.gz OTJAXLOQFQNBCJ-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001498499011 973949620 /nfs/dbraw/zinc/94/96/20/973949620.db2.gz SOZMTAYDYLEQCB-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001498901072 974100402 /nfs/dbraw/zinc/10/04/02/974100402.db2.gz CDEFXCIBBQSHFM-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH+]1CCC[C@](C)(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001569724149 1169977090 /nfs/dbraw/zinc/97/70/90/1169977090.db2.gz QIHJFVPLJGOMLM-QGZVFWFLSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500253613 974410067 /nfs/dbraw/zinc/41/00/67/974410067.db2.gz IRPBEANKSXWBEH-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001501147432 974542634 /nfs/dbraw/zinc/54/26/34/974542634.db2.gz XYBWIFQXPDXGND-UONOGXRCSA-N 2 0 267.417 1.198 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001502029024 974677676 /nfs/dbraw/zinc/67/76/76/974677676.db2.gz JHNNMONZPJBACX-UHFFFAOYSA-N 2 0 291.439 1.514 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001502363646 974725847 /nfs/dbraw/zinc/72/58/47/974725847.db2.gz QVYJHVKJQZOIDY-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001502807896 974788578 /nfs/dbraw/zinc/78/85/78/974788578.db2.gz UBJUYGPDNWBRME-KRWDZBQOSA-N 2 0 289.423 1.076 10 30 CDEERP C[NH+](C)CCC(=O)NCC[N@H+](C)Cc1cccc(C#N)c1 ZINC001377263557 974949899 /nfs/dbraw/zinc/94/98/99/974949899.db2.gz RITWHGJWMQSOTH-UHFFFAOYSA-N 2 0 288.395 1.058 10 30 CDEERP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001505980556 975069651 /nfs/dbraw/zinc/06/96/51/975069651.db2.gz DOOJGAVJTISTLI-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001507291100 975400649 /nfs/dbraw/zinc/40/06/49/975400649.db2.gz SIDAKKSETAQOQZ-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001507317470 975414369 /nfs/dbraw/zinc/41/43/69/975414369.db2.gz GZTBNWKLVVPZOH-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001508141089 975619495 /nfs/dbraw/zinc/61/94/95/975619495.db2.gz NRJNMMDNULWSDN-UHFFFAOYSA-N 2 0 288.395 1.290 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001402792693 976482583 /nfs/dbraw/zinc/48/25/83/976482583.db2.gz OLFWCHPBKYEKDG-ZYHUDNBSSA-N 2 0 273.808 1.127 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001674723163 1173997849 /nfs/dbraw/zinc/99/78/49/1173997849.db2.gz WHMLIFOZEIHAEV-STQMWFEESA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001676222653 1174194328 /nfs/dbraw/zinc/19/43/28/1174194328.db2.gz WKFOWUQALRHPKQ-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001676250315 1174196453 /nfs/dbraw/zinc/19/64/53/1174196453.db2.gz WOJRLQJNTIBLTH-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001677342143 1174351887 /nfs/dbraw/zinc/35/18/87/1174351887.db2.gz POPVTLLQSLTVDY-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001570843627 1170298361 /nfs/dbraw/zinc/29/83/61/1170298361.db2.gz LWNIVPPAEPGIKV-DZGCQCFKSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001570905765 1170315980 /nfs/dbraw/zinc/31/59/80/1170315980.db2.gz ZNSALPQUNYWDNF-AWEZNQCLSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001571371293 1170389296 /nfs/dbraw/zinc/38/92/96/1170389296.db2.gz NBIGMNSYGMMNKI-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]1CCC(C)CC1 ZINC000594438243 342906432 /nfs/dbraw/zinc/90/64/32/342906432.db2.gz NNVCCVGKOYZDBR-GJZGRUSLSA-N 2 0 294.443 1.634 10 30 CDEERP CC1CC[NH+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594441268 342907354 /nfs/dbraw/zinc/90/73/54/342907354.db2.gz QIFHEDNFXIILCY-AWEZNQCLSA-N 2 0 280.416 1.246 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000594449404 342909504 /nfs/dbraw/zinc/90/95/04/342909504.db2.gz IOOZNJAQRISZEG-QWHCGFSZSA-N 2 0 278.400 1.189 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000594457220 342911857 /nfs/dbraw/zinc/91/18/57/342911857.db2.gz WPLCWZJTVLJDLV-QLFBSQMISA-N 2 0 292.427 1.388 10 30 CDEERP C[N@H+](CCCC[NH2+]C[C@H](O)CC1(C#N)CC1)C1CC1 ZINC000600738204 342246497 /nfs/dbraw/zinc/24/64/97/342246497.db2.gz ZCLVCKODJHSJCQ-CQSZACIVSA-N 2 0 265.401 1.505 10 30 CDEERP N#CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000600738001 342246517 /nfs/dbraw/zinc/24/65/17/342246517.db2.gz GRQPEYKIPWYGMC-IHRRRGAJSA-N 2 0 251.374 1.115 10 30 CDEERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594425058 342904054 /nfs/dbraw/zinc/90/40/54/342904054.db2.gz JMKUMOHMRKAISE-CHWSQXEVSA-N 2 0 268.405 1.229 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000594425488 342904162 /nfs/dbraw/zinc/90/41/62/342904162.db2.gz KKAQFIIUXGQYIX-AVGNSLFASA-N 2 0 266.389 1.031 10 30 CDEERP CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246580340 360889211 /nfs/dbraw/zinc/88/92/11/360889211.db2.gz FJQCDUSKBUWLES-KFWWJZLASA-N 2 0 294.443 1.409 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626970713 367107927 /nfs/dbraw/zinc/10/79/27/367107927.db2.gz QLQJBPVEZKDGKZ-HIFRSBDPSA-N 2 0 294.443 1.467 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001662642132 1172573353 /nfs/dbraw/zinc/57/33/53/1172573353.db2.gz ZWYNZWMCWLERMI-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[C@]1(C(=O)NCCC[NH+](CC)CC)CCC[NH2+]1 ZINC000662658927 413261345 /nfs/dbraw/zinc/26/13/45/413261345.db2.gz MRMBZDOWYOGDRO-OAHLLOKOSA-N 2 0 267.417 1.533 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H](C)CCCC[NH3+])CCC[NH2+]1 ZINC000662781672 413489370 /nfs/dbraw/zinc/48/93/70/413489370.db2.gz XXWAPHBDWAMGPT-GXTWGEPZSA-N 2 0 253.390 1.318 10 30 CDEERP C=CC[C@@]1(C(=O)NCCC[N@@H+](C)CC(C)C)CCC[NH2+]1 ZINC000662826726 413558639 /nfs/dbraw/zinc/55/86/39/413558639.db2.gz BSFCKCQXRIPKIX-INIZCTEOSA-N 2 0 281.444 1.779 10 30 CDEERP C[C@H](CC[NH+](C)C)NC(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000043583122 175070642 /nfs/dbraw/zinc/07/06/42/175070642.db2.gz DLNJJIOKXPLWSH-GFCCVEGCSA-N 2 0 291.370 1.206 10 30 CDEERP COC[C@H](C)[N@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043688961 175095725 /nfs/dbraw/zinc/09/57/25/175095725.db2.gz CMBCKIVXIAYYHR-NSHDSACASA-N 2 0 252.383 1.525 10 30 CDEERP C[N@@H+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071190492 176067267 /nfs/dbraw/zinc/06/72/67/176067267.db2.gz RCCXSELLZRUBHM-GOSISDBHSA-N 2 0 286.419 1.804 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC(C)C ZINC001666562969 1173152589 /nfs/dbraw/zinc/15/25/89/1173152589.db2.gz FLFSDTRVXQMRPW-CVEARBPZSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)CCC)CC2 ZINC001666834532 1173189673 /nfs/dbraw/zinc/18/96/73/1173189673.db2.gz JYYPSQXDFZGZMT-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001667203896 1173244268 /nfs/dbraw/zinc/24/42/68/1173244268.db2.gz MQPQIMPCAABEHO-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001667488226 1173275864 /nfs/dbraw/zinc/27/58/64/1173275864.db2.gz BMCYVZDMHHSDAT-AWEZNQCLSA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001667771226 1173322478 /nfs/dbraw/zinc/32/24/78/1173322478.db2.gz QNZIYFHUKQKSLD-CVEARBPZSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668173505 1173377718 /nfs/dbraw/zinc/37/77/18/1173377718.db2.gz JJGQZTHCLDLNJG-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH2+]C1(CC)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001673621668 1173873785 /nfs/dbraw/zinc/87/37/85/1173873785.db2.gz NQQJGKRNOJVJSO-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N[C@@H]1C[C@H]1C ZINC000262698136 330027798 /nfs/dbraw/zinc/02/77/98/330027798.db2.gz FLXVONMPWOVPBY-FRRDWIJNSA-N 2 0 252.406 1.292 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000424297252 330336334 /nfs/dbraw/zinc/33/63/34/330336334.db2.gz QAEQSRUDKAENBD-AJNGGQMLSA-N 2 0 252.402 1.897 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000424297254 330336349 /nfs/dbraw/zinc/33/63/49/330336349.db2.gz QAEQSRUDKAENBD-BARDWOONSA-N 2 0 252.402 1.897 10 30 CDEERP C=CC[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001731270769 1159287881 /nfs/dbraw/zinc/28/78/81/1159287881.db2.gz ZMNRRNMEURTYTC-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001670785364 1159793920 /nfs/dbraw/zinc/79/39/20/1159793920.db2.gz XFVRGUCLZZCYFD-AWEZNQCLSA-N 2 0 277.412 1.143 10 30 CDEERP C=C(C)C[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001732592722 1160094423 /nfs/dbraw/zinc/09/44/23/1160094423.db2.gz NHXRWBONBGORIX-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001700780000 1177129498 /nfs/dbraw/zinc/12/94/98/1177129498.db2.gz HORBMSMNJYNRIE-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCOCCNc1ncnc2c1cnn2-c1ccncc1 ZINC000679461938 483366631 /nfs/dbraw/zinc/36/66/31/483366631.db2.gz MWDRNZCJAKSOBB-UHFFFAOYSA-N 2 0 296.334 1.825 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001483585292 1160952457 /nfs/dbraw/zinc/95/24/57/1160952457.db2.gz IWPBXXGYDKWAQW-HUUCEWRRSA-N 2 0 279.428 1.080 10 30 CDEERP C[NH+](C)C[C@@H]1CCCN1Cc1cc(C#CC[NH3+])cs1 ZINC000061652281 521838863 /nfs/dbraw/zinc/83/88/63/521838863.db2.gz QMLLVVHGSUSXFX-AWEZNQCLSA-N 2 0 277.437 1.584 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001717336453 1180621206 /nfs/dbraw/zinc/62/12/06/1180621206.db2.gz FTJLJGQWPLPFKZ-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP CC(C)C[NH+]1CCN(Cc2sccc2C#CC[NH3+])CC1 ZINC000055080703 519727023 /nfs/dbraw/zinc/72/70/23/519727023.db2.gz IPSCRZAWMQXNNZ-UHFFFAOYSA-N 2 0 291.464 1.832 10 30 CDEERP C[NH+](C)C[C@@H]1CCCN1Cc1ccccc1C#CC[NH3+] ZINC000061652289 521840137 /nfs/dbraw/zinc/84/01/37/521840137.db2.gz SFQXJGRCXZGRPK-KRWDZBQOSA-N 2 0 271.408 1.523 10 30 CDEERP COc1ccc(C[N@@H+]2CC[C@H](C)C2)cc1C#CC[NH3+] ZINC000049609469 524037432 /nfs/dbraw/zinc/03/74/32/524037432.db2.gz GVOCESTWBDFQLB-ZDUSSCGKSA-N 2 0 258.365 1.847 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)CC[NH+](C)C)c(F)c1 ZINC001677645245 1174381562 /nfs/dbraw/zinc/38/15/62/1174381562.db2.gz VCKZBZAJRPPHQF-UHFFFAOYSA-N 2 0 291.370 1.116 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333151910 526594467 /nfs/dbraw/zinc/59/44/67/526594467.db2.gz FIJWCYMTXDHCLM-OAHLLOKOSA-N 2 0 294.443 1.468 10 30 CDEERP NC(=[NH2+])N=NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000768355782 576274834 /nfs/dbraw/zinc/27/48/34/576274834.db2.gz REFUNPYWWVREFJ-OKILXGFUSA-N 2 0 271.368 1.652 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001688933252 1175071370 /nfs/dbraw/zinc/07/13/70/1175071370.db2.gz CWSHJALLKFSLDR-KKUMJFAQSA-N 2 0 297.418 1.174 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001689296548 1175141138 /nfs/dbraw/zinc/14/11/38/1175141138.db2.gz OQIXFCCVIRFZAJ-KGLIPLIRSA-N 2 0 277.412 1.073 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001690184614 1175397355 /nfs/dbraw/zinc/39/73/55/1175397355.db2.gz PGBLGJUPGZIGFM-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221123 613017321 /nfs/dbraw/zinc/01/73/21/613017321.db2.gz LHMHJHSURXZZDC-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP N#CCN1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925609440 617553622 /nfs/dbraw/zinc/55/36/22/617553622.db2.gz UCHDVLHQWVQAPD-IRXDYDNUSA-N 2 0 290.455 1.732 10 30 CDEERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(C#N)cc1F ZINC000925811784 617754990 /nfs/dbraw/zinc/75/49/90/617754990.db2.gz LAFXSDZBULDXGB-GFCCVEGCSA-N 2 0 290.386 1.771 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000900431170 623047165 /nfs/dbraw/zinc/04/71/65/623047165.db2.gz YGOSOYVOTMNXAE-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000900541216 623222983 /nfs/dbraw/zinc/22/29/83/623222983.db2.gz CAAFEAGEYFDPJR-GFCCVEGCSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000900693219 623379090 /nfs/dbraw/zinc/37/90/90/623379090.db2.gz PGCLIDICUKCHLP-CYBMUJFWSA-N 2 0 255.406 1.197 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000908442292 628203101 /nfs/dbraw/zinc/20/31/01/628203101.db2.gz DHAOLPINYDQEFK-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000909262186 628596095 /nfs/dbraw/zinc/59/60/95/628596095.db2.gz RVBAGTSRIPALRQ-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000912306724 629916787 /nfs/dbraw/zinc/91/67/87/629916787.db2.gz MLLTXBWQCUBHKO-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C#CCN(C(=O)N[C@@H](C)CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000915152562 631659820 /nfs/dbraw/zinc/65/98/20/631659820.db2.gz DOGAMYHCFGJVGM-AWEZNQCLSA-N 2 0 294.443 1.066 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000915273092 631689550 /nfs/dbraw/zinc/68/95/50/631689550.db2.gz SJFPWRWRSGUFTL-AWEZNQCLSA-N 2 0 288.395 1.237 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266741277 1158796716 /nfs/dbraw/zinc/79/67/16/1158796716.db2.gz PJXKAGVMEUVPIL-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001266994323 1159073115 /nfs/dbraw/zinc/07/31/15/1159073115.db2.gz LEHISLAXPLZHFX-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001670507712 1158624882 /nfs/dbraw/zinc/62/48/82/1158624882.db2.gz SCCNQGYMGJOTKT-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001670521708 1158629071 /nfs/dbraw/zinc/62/90/71/1158629071.db2.gz AWLMSOHLGJGEDN-HOCLYGCPSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001691324858 1159017641 /nfs/dbraw/zinc/01/76/41/1159017641.db2.gz YMXZOPDBMGKQQF-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267776808 1159597543 /nfs/dbraw/zinc/59/75/43/1159597543.db2.gz NDGLBERDFWKXIP-ZIAGYGMSSA-N 2 0 267.417 1.435 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732210385 1159750942 /nfs/dbraw/zinc/75/09/42/1159750942.db2.gz GLRGBEHCPGOOAH-CZUORRHYSA-N 2 0 297.418 1.317 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001268563826 1159971972 /nfs/dbraw/zinc/97/19/72/1159971972.db2.gz RAYOBWMTOHPEJE-IHWYPQMZSA-N 2 0 297.830 1.629 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001691818089 1159976457 /nfs/dbraw/zinc/97/64/57/1159976457.db2.gz ROOVBYNLQMDBBQ-WKILWMFISA-N 2 0 293.455 1.779 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732369438 1160525093 /nfs/dbraw/zinc/52/50/93/1160525093.db2.gz GBVWKEGZVRIRIU-ZIAGYGMSSA-N 2 0 267.417 1.246 10 30 CDEERP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001483345975 1160909618 /nfs/dbraw/zinc/90/96/18/1160909618.db2.gz RLIXWTIKPXVWAI-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001569614258 1169937885 /nfs/dbraw/zinc/93/78/85/1169937885.db2.gz PUKIMQFZOLQQLU-HZPDHXFCSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001570561501 1170189447 /nfs/dbraw/zinc/18/94/47/1170189447.db2.gz VWLKGJWPPKXLLP-UYSNPLJNSA-N 2 0 293.455 1.920 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001570801528 1170281855 /nfs/dbraw/zinc/28/18/55/1170281855.db2.gz YLBJXTUYXLFUJB-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C=CCC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001571350840 1170378922 /nfs/dbraw/zinc/37/89/22/1170378922.db2.gz VZBQIFXNNMDXHX-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001662631287 1172572669 /nfs/dbraw/zinc/57/26/69/1172572669.db2.gz WLWMGQMPJMLUBT-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001669361291 1173540611 /nfs/dbraw/zinc/54/06/11/1173540611.db2.gz NPYHPSXQOZKNLS-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001672568030 1173783419 /nfs/dbraw/zinc/78/34/19/1173783419.db2.gz STHWQGBSBIGADP-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001674925217 1174034796 /nfs/dbraw/zinc/03/47/96/1174034796.db2.gz CJUSFJQQNGCONG-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001674925218 1174036336 /nfs/dbraw/zinc/03/63/36/1174036336.db2.gz CJUSFJQQNGCONG-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001690785699 1175572654 /nfs/dbraw/zinc/57/26/54/1175572654.db2.gz XMNKGRHLOZDKDX-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH+]1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001691909669 1175650228 /nfs/dbraw/zinc/65/02/28/1175650228.db2.gz ZRUINPIIASMRKB-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001691921030 1175652445 /nfs/dbraw/zinc/65/24/45/1175652445.db2.gz DIODICYDVAWROD-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001692026402 1175667638 /nfs/dbraw/zinc/66/76/38/1175667638.db2.gz KKHJBCQSGBIJMH-MRXNPFEDSA-N 2 0 293.455 1.520 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001698601585 1175867961 /nfs/dbraw/zinc/86/79/61/1175867961.db2.gz RHINXNJHUBIHJR-HUUCEWRRSA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001698605207 1175869048 /nfs/dbraw/zinc/86/90/48/1175869048.db2.gz UKEBBGGDKOKMJJ-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001698613770 1175872309 /nfs/dbraw/zinc/87/23/09/1175872309.db2.gz OAZFJIMQOKAWGJ-AWEZNQCLSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001698621927 1175875705 /nfs/dbraw/zinc/87/57/05/1175875705.db2.gz YQGPTYQLUGTBDG-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001698621928 1175876685 /nfs/dbraw/zinc/87/66/85/1175876685.db2.gz YQGPTYQLUGTBDG-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001698769306 1175925174 /nfs/dbraw/zinc/92/51/74/1175925174.db2.gz YLRBZNUUIMHUIS-KBPBESRZSA-N 2 0 267.417 1.246 10 30 CDEERP C=CCCC[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001698787240 1175933532 /nfs/dbraw/zinc/93/35/32/1175933532.db2.gz CIVAWRPLAJFXTQ-HNNXBMFYSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001699023944 1176048103 /nfs/dbraw/zinc/04/81/03/1176048103.db2.gz WGWYHUBDHMTGQK-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001699113588 1176098850 /nfs/dbraw/zinc/09/88/50/1176098850.db2.gz SFNOLWGDYSQDMW-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001699409139 1176374706 /nfs/dbraw/zinc/37/47/06/1176374706.db2.gz RSUFYPCPHZLDOX-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001699433444 1176395165 /nfs/dbraw/zinc/39/51/65/1176395165.db2.gz PSNMQAPWKWSQRW-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699440401 1176403513 /nfs/dbraw/zinc/40/35/13/1176403513.db2.gz DAHBCRZLQFLLCN-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001700179149 1176783895 /nfs/dbraw/zinc/78/38/95/1176783895.db2.gz OGCKFRCEPLMJGT-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]CCC)CC1 ZINC001700689793 1177076789 /nfs/dbraw/zinc/07/67/89/1177076789.db2.gz NXZNTWNNSCILDW-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001700720926 1177093086 /nfs/dbraw/zinc/09/30/86/1177093086.db2.gz FBKVRRGYTAMKKD-BMFZPTHFSA-N 2 0 291.439 1.177 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001700888965 1177180429 /nfs/dbraw/zinc/18/04/29/1177180429.db2.gz RUYJZPASHCZLDB-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001713064958 1178343134 /nfs/dbraw/zinc/34/31/34/1178343134.db2.gz BGDBQADURBNBAR-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001713310460 1178488868 /nfs/dbraw/zinc/48/88/68/1178488868.db2.gz VAWXONWIJMJZDS-ZIAGYGMSSA-N 2 0 267.417 1.530 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001714107528 1178976254 /nfs/dbraw/zinc/97/62/54/1178976254.db2.gz RTXGJRZTFJARBE-CYBMUJFWSA-N 2 0 267.417 1.082 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001714129733 1178986071 /nfs/dbraw/zinc/98/60/71/1178986071.db2.gz CCOOWJXTSMXZIK-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[N@@H+](C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001714571715 1179226861 /nfs/dbraw/zinc/22/68/61/1179226861.db2.gz GWCHTAKINAHVLJ-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001714614128 1179267697 /nfs/dbraw/zinc/26/76/97/1179267697.db2.gz IPCIIPSQLISWBF-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001714862050 1179424916 /nfs/dbraw/zinc/42/49/16/1179424916.db2.gz FTGRLPRDYIIGFF-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001715274465 1179604448 /nfs/dbraw/zinc/60/44/48/1179604448.db2.gz YQRPTMNYXMHVGT-HIFRSBDPSA-N 2 0 265.401 1.000 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001715775040 1179800804 /nfs/dbraw/zinc/80/08/04/1179800804.db2.gz GCTOPYBPVLCQPH-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001715879787 1179894730 /nfs/dbraw/zinc/89/47/30/1179894730.db2.gz VOKOTMQVLGRBRM-WAVCKPEOSA-N 2 0 291.439 1.535 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001715963120 1179943517 /nfs/dbraw/zinc/94/35/17/1179943517.db2.gz VYOKFEXIHAGPID-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001715963122 1179943940 /nfs/dbraw/zinc/94/39/40/1179943940.db2.gz VYOKFEXIHAGPID-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001716352644 1180165898 /nfs/dbraw/zinc/16/58/98/1180165898.db2.gz XFVIEMPUDLWLGT-AATRIKPKSA-N 2 0 279.428 1.556 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001716414868 1180194466 /nfs/dbraw/zinc/19/44/66/1180194466.db2.gz WCZCOTFUHNRUFM-ZIAGYGMSSA-N 2 0 267.417 1.530 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001716620257 1180310288 /nfs/dbraw/zinc/31/02/88/1180310288.db2.gz MUHGHDLWRYKVEZ-HNNXBMFYSA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CCCC1 ZINC001716824404 1180425989 /nfs/dbraw/zinc/42/59/89/1180425989.db2.gz CDTGXFAMHJKMEX-INIZCTEOSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001716975291 1180488390 /nfs/dbraw/zinc/48/83/90/1180488390.db2.gz LCOQKBSWWLSIMA-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001717960173 1180948441 /nfs/dbraw/zinc/94/84/41/1180948441.db2.gz UYHJQLSWQLHAQD-MCIONIFRSA-N 2 0 281.444 1.633 10 30 CDEERP C#CCC[NH+]1CCC(C)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001724013891 1181630259 /nfs/dbraw/zinc/63/02/59/1181630259.db2.gz GUZSYIYEMRNOHX-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001725042301 1181833102 /nfs/dbraw/zinc/83/31/02/1181833102.db2.gz OIUYATAUCRBWJJ-OWCLPIDISA-N 2 0 291.439 1.273 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001725664036 1182090611 /nfs/dbraw/zinc/09/06/11/1182090611.db2.gz UGWJMCYQNMAOGJ-HUUCEWRRSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[N@H+]1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001725825399 1182143177 /nfs/dbraw/zinc/14/31/77/1182143177.db2.gz DKBLRNYLXIEBKG-UHFFFAOYSA-N 2 0 289.423 1.100 10 30 CDEERP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001731379931 1182347946 /nfs/dbraw/zinc/34/79/46/1182347946.db2.gz ZJASQMUODFVNNP-AWEZNQCLSA-N 2 0 289.423 1.075 10 30 CDEERP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001731543465 1182443028 /nfs/dbraw/zinc/44/30/28/1182443028.db2.gz RZZJDIKQQIYFDL-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001731834490 1182615821 /nfs/dbraw/zinc/61/58/21/1182615821.db2.gz QJTVRONZERJCOM-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001732203611 1182855456 /nfs/dbraw/zinc/85/54/56/1182855456.db2.gz QCIOFJRXABWGCP-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001732216404 1182863384 /nfs/dbraw/zinc/86/33/84/1182863384.db2.gz CBYVWWXUKFPOEJ-MRXNPFEDSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001732592720 1183034016 /nfs/dbraw/zinc/03/40/16/1183034016.db2.gz NHXRWBONBGORIX-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001733653005 1183489354 /nfs/dbraw/zinc/48/93/54/1183489354.db2.gz SOEUNOQNJHZRSP-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C1(CC)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001733807279 1183537520 /nfs/dbraw/zinc/53/75/20/1183537520.db2.gz SBZGDZXKRMNGTK-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001733981612 1183600234 /nfs/dbraw/zinc/60/02/34/1183600234.db2.gz ZTXQPCJYPKQJIW-KGLIPLIRSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001734003944 1183610972 /nfs/dbraw/zinc/61/09/72/1183610972.db2.gz QDJSBMFPECLVEJ-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001734093273 1183654517 /nfs/dbraw/zinc/65/45/17/1183654517.db2.gz IOUOUIGDKPXRTR-JKSUJKDBSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001734262683 1183706496 /nfs/dbraw/zinc/70/64/96/1183706496.db2.gz JQXRWBLTGFGPFY-HNNXBMFYSA-N 2 0 279.428 1.370 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001734462830 1183787442 /nfs/dbraw/zinc/78/74/42/1183787442.db2.gz UYEUEJPTWSOXGO-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[N@H+](C)CCN(C(=O)C[NH+](C)C1CCC1)C(C)C ZINC001734551979 1183822124 /nfs/dbraw/zinc/82/21/24/1183822124.db2.gz UNBGANCXNVNTFJ-UHFFFAOYSA-N 2 0 293.455 1.663 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000876925445 782226995 /nfs/dbraw/zinc/22/69/95/782226995.db2.gz GAOWFFBMSOWTNR-VXGBXAGGSA-N 2 0 279.771 1.373 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000848394341 782670532 /nfs/dbraw/zinc/67/05/32/782670532.db2.gz KHPRJRAQYJBFSV-CQSZACIVSA-N 2 0 290.367 1.374 10 30 CDEERP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@H+]1CCOC ZINC000849001879 782924344 /nfs/dbraw/zinc/92/43/44/782924344.db2.gz OVYUNUSCKRBADQ-CYBMUJFWSA-N 2 0 294.399 1.055 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000876530276 782984901 /nfs/dbraw/zinc/98/49/01/782984901.db2.gz RVUSFITTYHJBQR-GFCCVEGCSA-N 2 0 279.771 1.741 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000877251441 783055523 /nfs/dbraw/zinc/05/55/23/783055523.db2.gz PNNVFDHUMAWWPI-NWDGAFQWSA-N 2 0 273.808 1.255 10 30 CDEERP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)CC(C)C ZINC000066243266 780896080 /nfs/dbraw/zinc/89/60/80/780896080.db2.gz NNLUNJQBBVAJRV-GJZGRUSLSA-N 2 0 298.475 1.826 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000876510507 781026025 /nfs/dbraw/zinc/02/60/25/781026025.db2.gz UTVKGLUEJPXGSB-NSHDSACASA-N 2 0 273.808 1.624 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000876709229 781239811 /nfs/dbraw/zinc/23/98/11/781239811.db2.gz MLJQTBSGPMULLL-LBPRGKRZSA-N 2 0 273.808 1.257 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC)CC1 ZINC001037120390 781600002 /nfs/dbraw/zinc/60/00/02/781600002.db2.gz ILXSBXAKOSOOBU-CVEARBPZSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[C@@H](C(=O)OC)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000878549009 1166207197 /nfs/dbraw/zinc/20/71/97/1166207197.db2.gz BHVLLUNZTABDFF-AWEZNQCLSA-N 2 0 280.412 1.912 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001630911657 1166242546 /nfs/dbraw/zinc/24/25/46/1166242546.db2.gz QJDPHUAXEGREDC-GOEBONIOSA-N 2 0 291.439 1.580 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001378858402 975519144 /nfs/dbraw/zinc/51/91/44/975519144.db2.gz OSINEVYOLODWIT-GFCCVEGCSA-N 2 0 275.824 1.516 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001569108337 1167551032 /nfs/dbraw/zinc/55/10/32/1167551032.db2.gz HLPBKBKHXNWCEP-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001570440137 1167574650 /nfs/dbraw/zinc/57/46/50/1167574650.db2.gz IOOABDXSMQDXIZ-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001570653070 1167581674 /nfs/dbraw/zinc/58/16/74/1167581674.db2.gz MQWBGDNPIMBMLW-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001566439817 1167959912 /nfs/dbraw/zinc/95/99/12/1167959912.db2.gz PUIURFCIDYFRBV-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001567178142 1168606713 /nfs/dbraw/zinc/60/67/13/1168606713.db2.gz ZLOCIWIXQKURDH-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+](C)C(C)C ZINC001567266131 1168643981 /nfs/dbraw/zinc/64/39/81/1168643981.db2.gz GSRJDTYEBUAOFI-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH+]1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001279368222 894428109 /nfs/dbraw/zinc/42/81/09/894428109.db2.gz KKELKKKCMUIRIC-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001567507953 1168820340 /nfs/dbraw/zinc/82/03/40/1168820340.db2.gz NEZBQGGMUVICMR-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266801431 896071320 /nfs/dbraw/zinc/07/13/20/896071320.db2.gz NMZSJMUMYFHIDH-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001266881140 896273277 /nfs/dbraw/zinc/27/32/77/896273277.db2.gz SNTUJUXFKTZQJD-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001266949771 896418464 /nfs/dbraw/zinc/41/84/64/896418464.db2.gz FTGGJBFOFIGSMC-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001283332165 896495852 /nfs/dbraw/zinc/49/58/52/896495852.db2.gz RLJSJCODNHDXQW-MRXNPFEDSA-N 2 0 293.455 1.663 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001267091570 896753522 /nfs/dbraw/zinc/75/35/22/896753522.db2.gz PZVLSYLAXILVHD-HZPDHXFCSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001480951204 898111805 /nfs/dbraw/zinc/11/18/05/898111805.db2.gz RGRNGBARBTYMOQ-UHFFFAOYSA-N 2 0 267.417 1.487 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)CC)C1 ZINC001267489358 898143831 /nfs/dbraw/zinc/14/38/31/898143831.db2.gz XROLPFCBIZYMEJ-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001420070581 899112642 /nfs/dbraw/zinc/11/26/42/899112642.db2.gz AKTMAFGDUIFWJR-UONOGXRCSA-N 2 0 299.846 1.613 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001267711527 899344162 /nfs/dbraw/zinc/34/41/62/899344162.db2.gz ZPHANQPQWUPVTM-FXUDXRNXSA-N 2 0 291.439 1.720 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001267830699 899833490 /nfs/dbraw/zinc/83/34/90/899833490.db2.gz GHVNYMDCDTUPHM-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001481347761 900470608 /nfs/dbraw/zinc/47/06/08/900470608.db2.gz ORTLCQNJVIIVMI-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001481373114 900503988 /nfs/dbraw/zinc/50/39/88/900503988.db2.gz UZWXGDXVUBLFCG-WBVHZDCISA-N 2 0 299.418 1.409 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481988566 902440630 /nfs/dbraw/zinc/44/06/30/902440630.db2.gz DZPBXVUTZXQURC-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001482007504 902468095 /nfs/dbraw/zinc/46/80/95/902468095.db2.gz MANHGDALEQELPC-UHFFFAOYSA-N 2 0 291.439 1.487 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001268834643 903166928 /nfs/dbraw/zinc/16/69/28/903166928.db2.gz BHEFETTZFLAGKE-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001268858753 903184565 /nfs/dbraw/zinc/18/45/65/903184565.db2.gz PSFVIIXQPCPVGP-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001269117210 903434243 /nfs/dbraw/zinc/43/42/43/903434243.db2.gz YAMFUAGWDSRBJL-HUUCEWRRSA-N 2 0 279.428 1.080 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CC ZINC001269173564 903504314 /nfs/dbraw/zinc/50/43/14/903504314.db2.gz AZCIAORUXSCZRB-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001270158672 904403571 /nfs/dbraw/zinc/40/35/71/904403571.db2.gz WXDSHJGDUQJCDR-HNNXBMFYSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CC(=C)C)CC1 ZINC001270603020 904779729 /nfs/dbraw/zinc/77/97/29/904779729.db2.gz JWRKTSJJJXRRFY-OAHLLOKOSA-N 2 0 291.439 1.250 10 30 CDEERP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001270650590 904884127 /nfs/dbraw/zinc/88/41/27/904884127.db2.gz WUJYCUHOAMEZQB-GDBMZVCRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001482414172 905321233 /nfs/dbraw/zinc/32/12/33/905321233.db2.gz RUNHDQYVHYZXQT-CVEARBPZSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001271610695 906543514 /nfs/dbraw/zinc/54/35/14/906543514.db2.gz YYLNOZROBHRCBS-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[N@@H+](C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001271784202 906806133 /nfs/dbraw/zinc/80/61/33/906806133.db2.gz IJFAWAVPJCMTBR-UHFFFAOYSA-N 2 0 279.428 1.132 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482831293 908410135 /nfs/dbraw/zinc/41/01/35/908410135.db2.gz JSMQYEYJKJKNKK-LSDHHAIUSA-N 2 0 279.428 1.367 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001483279804 910780718 /nfs/dbraw/zinc/78/07/18/910780718.db2.gz VYNCMHGTFMIXFP-AWEZNQCLSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001483572871 911280677 /nfs/dbraw/zinc/28/06/77/911280677.db2.gz ZGVURXLSRYVVET-UONOGXRCSA-N 2 0 299.846 1.708 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001483580427 911291778 /nfs/dbraw/zinc/29/17/78/911291778.db2.gz CJKSTUNAJAEDCU-CABCVRRESA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001568207547 1169177796 /nfs/dbraw/zinc/17/77/96/1169177796.db2.gz BXBVEQRRXNLLMK-JKSUJKDBSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001485686655 917183745 /nfs/dbraw/zinc/18/37/45/917183745.db2.gz BENDQGAQBYXGNW-IHRRRGAJSA-N 2 0 267.417 1.243 10 30 CDEERP C#C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000827566237 936599717 /nfs/dbraw/zinc/59/97/17/936599717.db2.gz UGRPNLHHSLQQCR-JYJNAYRXSA-N 2 0 262.397 1.631 10 30 CDEERP C#C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000827566243 936599869 /nfs/dbraw/zinc/59/98/69/936599869.db2.gz UGRPNLHHSLQQCR-XHSDSOJGSA-N 2 0 262.397 1.631 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272866288 919925242 /nfs/dbraw/zinc/92/52/42/919925242.db2.gz USEAGOXKVYCTFB-STQMWFEESA-N 2 0 287.835 1.708 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001486092860 920691424 /nfs/dbraw/zinc/69/14/24/920691424.db2.gz IEZPKLLFNVROCU-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001486122399 920731359 /nfs/dbraw/zinc/73/13/59/920731359.db2.gz QWRCQVRERFCMKS-NWDGAFQWSA-N 2 0 273.808 1.270 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001486138507 920744288 /nfs/dbraw/zinc/74/42/88/920744288.db2.gz YBOKHDRXNLJJPM-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001486127936 920758692 /nfs/dbraw/zinc/75/86/92/920758692.db2.gz HZOXOYOOYGBMGE-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001486473971 921049049 /nfs/dbraw/zinc/04/90/49/921049049.db2.gz LOZXGQJJILZIRK-FXQLRMTLSA-N 2 0 291.439 1.319 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001491080687 936852084 /nfs/dbraw/zinc/85/20/84/936852084.db2.gz SADSXBQRSSBDEH-GASCZTMLSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001491152526 936865516 /nfs/dbraw/zinc/86/55/16/936865516.db2.gz CFXMTQYXNPGGIF-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001491153411 936865926 /nfs/dbraw/zinc/86/59/26/936865926.db2.gz KVPBYORJQWWASC-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001490770650 927336185 /nfs/dbraw/zinc/33/61/85/927336185.db2.gz DQEIOIWXBWVAFG-CABCVRRESA-N 2 0 279.428 1.130 10 30 CDEERP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]21 ZINC001568514731 1169341661 /nfs/dbraw/zinc/34/16/61/1169341661.db2.gz BEEHKTNNUMDCRZ-HZPDHXFCSA-N 2 0 293.455 1.826 10 30 CDEERP C=CC[NH+](CC=C)[C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001144196923 931694572 /nfs/dbraw/zinc/69/45/72/931694572.db2.gz CCAZQCCNYXJGDI-MRXNPFEDSA-N 2 0 293.455 1.897 10 30 CDEERP C#CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000932464662 933716981 /nfs/dbraw/zinc/71/69/81/933716981.db2.gz RNTSCCPTIWQPBF-UHFFFAOYSA-N 2 0 293.455 1.709 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001121997710 937897793 /nfs/dbraw/zinc/89/77/93/937897793.db2.gz YIZVBNLPGFEBRB-CQSZACIVSA-N 2 0 285.351 1.889 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001278268090 945226399 /nfs/dbraw/zinc/22/63/99/945226399.db2.gz QWJQFRVCONPQPA-CQSZACIVSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001282215064 942679465 /nfs/dbraw/zinc/67/94/65/942679465.db2.gz PLXGMJHYKIPOCP-KGLIPLIRSA-N 2 0 279.428 1.223 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001282243178 942682767 /nfs/dbraw/zinc/68/27/67/942682767.db2.gz VALWTKRZZZRHPK-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001282464786 942716236 /nfs/dbraw/zinc/71/62/36/942716236.db2.gz NISXQTRHVWXDGH-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001277495863 942816910 /nfs/dbraw/zinc/81/69/10/942816910.db2.gz KJPVYQMNPOIHRK-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001283173728 942845436 /nfs/dbraw/zinc/84/54/36/942845436.db2.gz NHOVAGPOZNKDTN-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001277866904 943902163 /nfs/dbraw/zinc/90/21/63/943902163.db2.gz ZRDNYMOZYQEHDK-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001263819347 943987330 /nfs/dbraw/zinc/98/73/30/943987330.db2.gz SBDBIOQWGVLEII-LSDHHAIUSA-N 2 0 281.444 1.681 10 30 CDEERP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001263820784 943988984 /nfs/dbraw/zinc/98/89/84/943988984.db2.gz GWHBBUNZVFOOSH-OAHLLOKOSA-N 2 0 279.428 1.581 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001263880249 944020810 /nfs/dbraw/zinc/02/08/10/944020810.db2.gz HWOYZWRMXYGFJJ-WKILWMFISA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001264466120 944140914 /nfs/dbraw/zinc/14/09/14/944140914.db2.gz QTEOKDDCPUTXOP-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001265357199 944357574 /nfs/dbraw/zinc/35/75/74/944357574.db2.gz VYRBMYQDFOVPOK-HZPDHXFCSA-N 2 0 291.439 1.389 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001265357205 944357679 /nfs/dbraw/zinc/35/76/79/944357679.db2.gz WAFLIYUHIAWEFJ-HNNXBMFYSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001265436735 944388004 /nfs/dbraw/zinc/38/80/04/944388004.db2.gz NOZVQUIVOKTTDK-UONOGXRCSA-N 2 0 265.401 1.237 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265629643 944451588 /nfs/dbraw/zinc/45/15/88/944451588.db2.gz DBUAGFNVDJRORQ-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001266067288 944661989 /nfs/dbraw/zinc/66/19/89/944661989.db2.gz KPMJCYDKTCDSHX-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001266112296 944686620 /nfs/dbraw/zinc/68/66/20/944686620.db2.gz KPYDFONALCXRQO-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001331646423 948581228 /nfs/dbraw/zinc/58/12/28/948581228.db2.gz IEFZWYCJPITFGO-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001479985149 971522927 /nfs/dbraw/zinc/52/29/27/971522927.db2.gz KZSAVSSXNMUUGC-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001278521362 949704116 /nfs/dbraw/zinc/70/41/16/949704116.db2.gz NGRBBOKVAASGQZ-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001480254594 971650468 /nfs/dbraw/zinc/65/04/68/971650468.db2.gz FTUWDQQVLLGUBQ-HUUCEWRRSA-N 2 0 299.434 1.681 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001480286601 971659052 /nfs/dbraw/zinc/65/90/52/971659052.db2.gz SHWXANJEMJJUAT-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001324640495 953489240 /nfs/dbraw/zinc/48/92/40/953489240.db2.gz BGFUVVCUAUXCNI-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001327271199 954801886 /nfs/dbraw/zinc/80/18/86/954801886.db2.gz NOOXCCCSGRUYSL-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H](CC)[NH+](C)C ZINC001297373311 955016989 /nfs/dbraw/zinc/01/69/89/955016989.db2.gz RIFXXBBTOOZHIJ-CYBMUJFWSA-N 2 0 255.406 1.293 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001328281657 955250141 /nfs/dbraw/zinc/25/01/41/955250141.db2.gz DONPZPIAYJZOPC-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001493569068 972083284 /nfs/dbraw/zinc/08/32/84/972083284.db2.gz XHUZDSBKMVFGHD-UHFFFAOYSA-N 2 0 281.425 1.657 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001329320868 955824494 /nfs/dbraw/zinc/82/44/94/955824494.db2.gz LUAXHLCMXXAWCN-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001330210243 956327992 /nfs/dbraw/zinc/32/79/92/956327992.db2.gz OJDZFNDRRKKCDG-AWEZNQCLSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001330613285 956515721 /nfs/dbraw/zinc/51/57/21/956515721.db2.gz MCOUJYYRFYHAQO-KKUMJFAQSA-N 2 0 279.428 1.080 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494181129 972195033 /nfs/dbraw/zinc/19/50/33/972195033.db2.gz QEIUWYGZUCSJPH-CABCVRRESA-N 2 0 279.428 1.295 10 30 CDEERP C=CCC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317510669 956762986 /nfs/dbraw/zinc/76/29/86/956762986.db2.gz RXEPYWWWCGHNJO-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001316804795 957027235 /nfs/dbraw/zinc/02/72/35/957027235.db2.gz WLEZFSFPHLBEEV-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCCC[N@H+](C)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001316864813 957079100 /nfs/dbraw/zinc/07/91/00/957079100.db2.gz LXZFPVRMGPHWCD-KRWDZBQOSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001317014070 957202288 /nfs/dbraw/zinc/20/22/88/957202288.db2.gz AGJCMBVMVSETRI-HZPDHXFCSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001317088881 957262827 /nfs/dbraw/zinc/26/28/27/957262827.db2.gz GSEBTYJVOXAKET-HDJSIYSDSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317157109 957310382 /nfs/dbraw/zinc/31/03/82/957310382.db2.gz FHBSUMXMOZJTLQ-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317248491 957377259 /nfs/dbraw/zinc/37/72/59/957377259.db2.gz XOQRCQAIEBNYEV-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001317284070 957403335 /nfs/dbraw/zinc/40/33/35/957403335.db2.gz QQSSQCAKFKCHLC-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001317679974 957635624 /nfs/dbraw/zinc/63/56/24/957635624.db2.gz KIMNGNRXSPZAIP-CQSZACIVSA-N 2 0 291.439 1.485 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001317934503 957824468 /nfs/dbraw/zinc/82/44/68/957824468.db2.gz ZSPPFGGKJDDRMJ-HUUCEWRRSA-N 2 0 299.434 1.823 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317972378 957838880 /nfs/dbraw/zinc/83/88/80/957838880.db2.gz FIBBEAONZFFSGR-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001494828397 972317353 /nfs/dbraw/zinc/31/73/53/972317353.db2.gz RUQFJNDAAAJODZ-OWCLPIDISA-N 2 0 293.455 1.826 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001494925594 972338108 /nfs/dbraw/zinc/33/81/08/972338108.db2.gz RSZZBNQRGKPSGD-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC001319285778 958476538 /nfs/dbraw/zinc/47/65/38/958476538.db2.gz QTUGTLAEGSRULL-HNNXBMFYSA-N 2 0 293.455 1.330 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001319716258 958698893 /nfs/dbraw/zinc/69/88/93/958698893.db2.gz UPOOGDLOVSDHEB-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001320000013 958858805 /nfs/dbraw/zinc/85/88/05/958858805.db2.gz OJWXVZRKDXLPPR-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001495058027 972391228 /nfs/dbraw/zinc/39/12/28/972391228.db2.gz MAYRGQHNISXHDR-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001368670453 959028837 /nfs/dbraw/zinc/02/88/37/959028837.db2.gz SXCHOOWWCPFTKL-WCQYABFASA-N 2 0 287.835 1.516 10 30 CDEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001495270088 972461461 /nfs/dbraw/zinc/46/14/61/972461461.db2.gz ZUJZUFBRANFUIM-RDJZCZTQSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001323616136 960865200 /nfs/dbraw/zinc/86/52/00/960865200.db2.gz HGICRJYTYPWUEL-UHFFFAOYSA-N 2 0 277.412 1.124 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001324080478 961153676 /nfs/dbraw/zinc/15/36/76/961153676.db2.gz IZWHUVOUTHCPCK-GOEBONIOSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001437301232 962797020 /nfs/dbraw/zinc/79/70/20/962797020.db2.gz IWHDLEMUPBNWKU-HZSPNIEDSA-N 2 0 299.846 1.517 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001341695697 963515028 /nfs/dbraw/zinc/51/50/28/963515028.db2.gz ICECBVIWKDKIHP-OUAUKWLOSA-N 2 0 293.333 1.408 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)C2(C3CC[NH2+]CC3)CC2)CC1 ZINC001341697998 963515181 /nfs/dbraw/zinc/51/51/81/963515181.db2.gz XPNYCKITYQRDQA-UHFFFAOYSA-N 2 0 291.439 1.533 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001443928518 965669749 /nfs/dbraw/zinc/66/97/49/965669749.db2.gz DXHLEPWILQVVMG-FRRDWIJNSA-N 2 0 287.835 1.564 10 30 CDEERP C=C(Cl)CN(C)CCCN(C)C(=O)Cn1ccnc1 ZINC001447373138 966769843 /nfs/dbraw/zinc/76/98/43/966769843.db2.gz MABNGMFFHVYCRZ-UHFFFAOYSA-N 2 0 284.791 1.416 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CC#N)cc1 ZINC000849044843 969428912 /nfs/dbraw/zinc/42/89/12/969428912.db2.gz HVIVBFUABHLMQP-MRXNPFEDSA-N 2 0 299.422 1.851 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001496144325 972815286 /nfs/dbraw/zinc/81/52/86/972815286.db2.gz HDEZTXZLNDQROI-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001498861704 974084325 /nfs/dbraw/zinc/08/43/25/974084325.db2.gz DOVALKDIEOUXBN-AWEZNQCLSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001499419489 974251913 /nfs/dbraw/zinc/25/19/13/974251913.db2.gz ZFKVUWXMYSKZGV-LBPRGKRZSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001499855875 974316042 /nfs/dbraw/zinc/31/60/42/974316042.db2.gz YQILOFKJIHTDIP-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C1CCCC1 ZINC001500107119 974374627 /nfs/dbraw/zinc/37/46/27/974374627.db2.gz PPHUDVQBWVXDPI-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001501404197 974578649 /nfs/dbraw/zinc/57/86/49/974578649.db2.gz OOJWAKPYZORSBL-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001503290618 974818760 /nfs/dbraw/zinc/81/87/60/974818760.db2.gz KTHFOSOIAUGOMU-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001505444215 974881350 /nfs/dbraw/zinc/88/13/50/974881350.db2.gz ZVQXGJFEIKAWPQ-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001505643798 974948931 /nfs/dbraw/zinc/94/89/31/974948931.db2.gz BZRUFBUPEJFCEM-STQMWFEESA-N 2 0 299.846 1.850 10 30 CDEERP C#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001506576157 975182101 /nfs/dbraw/zinc/18/21/01/975182101.db2.gz QQUPXJWXPAZOQD-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001506616427 975190478 /nfs/dbraw/zinc/19/04/78/975190478.db2.gz MWHIJKKRXRXERC-UKRRQHHQSA-N 2 0 297.418 1.126 10 30 CDEERP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001506650679 975196804 /nfs/dbraw/zinc/19/68/04/975196804.db2.gz AAZIRHRZAOGJND-GDBMZVCRSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001508025505 975578290 /nfs/dbraw/zinc/57/82/90/975578290.db2.gz UNPSJBYINGPWTC-UONOGXRCSA-N 2 0 281.444 1.470 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001405343772 975719129 /nfs/dbraw/zinc/71/91/29/975719129.db2.gz MGCLGEQEFTUZJR-NWDGAFQWSA-N 2 0 273.808 1.175 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401876360 975968041 /nfs/dbraw/zinc/96/80/41/975968041.db2.gz SXVPOHOPVLYKJX-JSGCOSHPSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001674984600 1174054008 /nfs/dbraw/zinc/05/40/08/1174054008.db2.gz ANWALVIFASPIKE-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CCCF)CC1 ZINC001675051478 1174068247 /nfs/dbraw/zinc/06/82/47/1174068247.db2.gz ZLYZILZRVKKYFS-AWEZNQCLSA-N 2 0 297.418 1.128 10 30 CDEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001675342709 1174104393 /nfs/dbraw/zinc/10/43/93/1174104393.db2.gz CNERTSWQNSDODI-GDBMZVCRSA-N 2 0 295.471 1.975 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001676222425 1174193670 /nfs/dbraw/zinc/19/36/70/1174193670.db2.gz QSWQSXHIBFZGOO-HNNXBMFYSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001676489150 1174232657 /nfs/dbraw/zinc/23/26/57/1174232657.db2.gz YRAUASQNROSTFG-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001676766311 1174269569 /nfs/dbraw/zinc/26/95/69/1174269569.db2.gz BZFIRJOCMBXPAT-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001676814597 1174276529 /nfs/dbraw/zinc/27/65/29/1174276529.db2.gz IKFSCCLDYHBKJU-ZBFHGGJFSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001677032899 1174308740 /nfs/dbraw/zinc/30/87/40/1174308740.db2.gz NXVFMIHJVYPEBC-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001570545735 1170185838 /nfs/dbraw/zinc/18/58/38/1170185838.db2.gz WZZTWSDYFANCRG-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001571352650 1170379748 /nfs/dbraw/zinc/37/97/48/1170379748.db2.gz VOFUASCAIYTMJI-LSDHHAIUSA-N 2 0 279.428 1.082 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000594441940 342907714 /nfs/dbraw/zinc/90/77/14/342907714.db2.gz YWQRJCQAQPXRPV-CQSZACIVSA-N 2 0 280.416 1.390 10 30 CDEERP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600721073 342244733 /nfs/dbraw/zinc/24/47/33/342244733.db2.gz KUJGAIRPKWGVSJ-UONOGXRCSA-N 2 0 265.401 1.363 10 30 CDEERP C=CCOc1ccc(C[NH2+]CCC[NH2+]CCO)cc1OC ZINC000013732993 361348727 /nfs/dbraw/zinc/34/87/27/361348727.db2.gz JLOISYCUUHXHFD-UHFFFAOYSA-N 2 0 294.395 1.322 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001662350851 1172534708 /nfs/dbraw/zinc/53/47/08/1172534708.db2.gz NYDGPPRGGSKXDX-KBPBESRZSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H](C)C[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662684331 413307289 /nfs/dbraw/zinc/30/72/89/413307289.db2.gz ZZTUITXABBOLGX-GDBMZVCRSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[N@@H+](CC)C2CC2)CCC[NH2+]1 ZINC000662713841 413368119 /nfs/dbraw/zinc/36/81/19/413368119.db2.gz ZLJRVZCNHZWWTJ-HNNXBMFYSA-N 2 0 265.401 1.285 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000876783309 782013756 /nfs/dbraw/zinc/01/37/56/782013756.db2.gz YZMFWHYFEIDHBB-KPXOXKRLSA-N 2 0 271.792 1.055 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001665732897 1173048754 /nfs/dbraw/zinc/04/87/54/1173048754.db2.gz ZMQKKUSCRSAOHM-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319790 414637422 /nfs/dbraw/zinc/63/74/22/414637422.db2.gz MLLQBTNWDYBQMU-HUUCEWRRSA-N 2 0 270.417 1.356 10 30 CDEERP C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319788 414638386 /nfs/dbraw/zinc/63/83/86/414638386.db2.gz MLLQBTNWDYBQMU-CABCVRRESA-N 2 0 270.417 1.356 10 30 CDEERP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689080 175095510 /nfs/dbraw/zinc/09/55/10/175095510.db2.gz UNZHJZPKDCALFK-WCQYABFASA-N 2 0 291.420 1.144 10 30 CDEERP C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C#CC[NH3+])c1 ZINC000044566226 175208625 /nfs/dbraw/zinc/20/86/25/175208625.db2.gz IBJRHPORFSYFRT-MRXNPFEDSA-N 2 0 285.391 1.211 10 30 CDEERP CCCN[C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190768 176068682 /nfs/dbraw/zinc/06/86/82/176068682.db2.gz RMBFETSCPHMTBR-JKSUJKDBSA-N 2 0 280.460 1.932 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000876749656 782034505 /nfs/dbraw/zinc/03/45/05/782034505.db2.gz CBCLAQPYBYXHCX-AVGNSLFASA-N 2 0 287.835 1.835 10 30 CDEERP C[C@@H]1CCOCCN1CC#CC[N@@H+]1CCOCC[C@H]1C ZINC000367457039 266290867 /nfs/dbraw/zinc/29/08/67/266290867.db2.gz DVSNIXWSNDNBAF-HZPDHXFCSA-N 2 0 280.412 1.211 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001667634791 1173304964 /nfs/dbraw/zinc/30/49/64/1173304964.db2.gz RNYAMJWEDGIXAK-UHFFFAOYSA-N 2 0 279.428 1.132 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001668904725 1173477314 /nfs/dbraw/zinc/47/73/14/1173477314.db2.gz GCDLMUYPJNSLNH-NFAHFFEMSA-N 2 0 279.428 1.555 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001671769183 1173710690 /nfs/dbraw/zinc/71/06/90/1173710690.db2.gz QAGQNAXWRJZYGC-GDBMZVCRSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001673439461 1173857410 /nfs/dbraw/zinc/85/74/10/1173857410.db2.gz UIQDTQXNDQLNPF-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262675073 330026192 /nfs/dbraw/zinc/02/61/92/330026192.db2.gz ABJOXOHPVRLFEG-OUCADQQQSA-N 2 0 264.417 1.577 10 30 CDEERP [NH2+]=C(NC[C@H]1CN(C2CC2)CCO1)Nc1ccccc1 ZINC000262717228 330028456 /nfs/dbraw/zinc/02/84/56/330028456.db2.gz SNUNRKSTJZRQPO-AWEZNQCLSA-N 2 0 274.368 1.276 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CN(C)C(NC1CCC1)=[NH+]C ZINC000262791695 330031762 /nfs/dbraw/zinc/03/17/62/330031762.db2.gz OGGOYOHPUOCGKS-ZDUSSCGKSA-N 2 0 252.406 1.530 10 30 CDEERP CNC(=[NH2+])N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000270131657 330073978 /nfs/dbraw/zinc/07/39/78/330073978.db2.gz PAZWSEFJPGEPJO-TZMCWYRMSA-N 2 0 260.385 1.574 10 30 CDEERP CC1(C)COC[C@@H]1[NH2+]CC#CC[NH2+][C@H]1COCC1(C)C ZINC000451813265 331043377 /nfs/dbraw/zinc/04/33/77/331043377.db2.gz QNOURPWILJXYPK-KBPBESRZSA-N 2 0 280.412 1.019 10 30 CDEERP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001731720788 1159332779 /nfs/dbraw/zinc/33/27/79/1159332779.db2.gz PAFFLHXLALTVKX-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001268380060 1159914523 /nfs/dbraw/zinc/91/45/23/1159914523.db2.gz OQVWNHCJBIVCOJ-ZDUSSCGKSA-N 2 0 299.846 1.852 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001481781760 1159945688 /nfs/dbraw/zinc/94/56/88/1159945688.db2.gz HLHDRRDQBPBHCJ-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001270737330 1160143230 /nfs/dbraw/zinc/14/32/30/1160143230.db2.gz KKFPAEGDZBUJHF-WBVHZDCISA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001691679083 1161559931 /nfs/dbraw/zinc/55/99/31/1161559931.db2.gz RFUVRUFWMDTORL-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001691693102 1161570946 /nfs/dbraw/zinc/57/09/46/1161570946.db2.gz ZCBBOHZGPMVBFO-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP CCN[C@](C)(C#N)C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068612669 520225807 /nfs/dbraw/zinc/22/58/07/520225807.db2.gz PJVOFFRQDHQPQZ-HOCLYGCPSA-N 2 0 280.460 1.930 10 30 CDEERP COC[C@H](C)[N@H+](C)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049609574 522593061 /nfs/dbraw/zinc/59/30/61/522593061.db2.gz HTLXIWXIRRPGHQ-ZDUSSCGKSA-N 2 0 276.380 1.472 10 30 CDEERP C[N@@H+]1CCCN(CCOc2ccc(C#CC[NH3+])cc2)CC1 ZINC000049608755 523805981 /nfs/dbraw/zinc/80/59/81/523805981.db2.gz XSOTXHTVCDOANW-UHFFFAOYSA-N 2 0 287.407 1.013 10 30 CDEERP C[C@@H]1CCC[N@@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049608288 524261974 /nfs/dbraw/zinc/26/19/74/524261974.db2.gz NUJPNNIDQDBEPT-CQSZACIVSA-N 2 0 258.365 1.860 10 30 CDEERP [NH3+]CC#Cc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000049608315 527152224 /nfs/dbraw/zinc/15/22/24/527152224.db2.gz ZDTFWCPXNBKQGW-UHFFFAOYSA-N 2 0 258.365 1.201 10 30 CDEERP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426927 618333711 /nfs/dbraw/zinc/33/37/11/618333711.db2.gz HWRPBWIRZFJBDM-CABCVRRESA-N 2 0 252.402 1.779 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000900410426 623016192 /nfs/dbraw/zinc/01/61/92/623016192.db2.gz TZZZRMOUESFREP-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000900522271 623153342 /nfs/dbraw/zinc/15/33/42/623153342.db2.gz AGDJFDYZSAIJOR-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)CN(C)Cc1ccccc1 ZINC000905449030 626810667 /nfs/dbraw/zinc/81/06/67/626810667.db2.gz CMPIJTDUXBBRTN-IRXDYDNUSA-N 2 0 292.423 1.396 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CCC)[C@H]1CC[N@H+](C)C1 ZINC000911511559 629311448 /nfs/dbraw/zinc/31/14/48/629311448.db2.gz JETJYIJVQCCIKB-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000912373321 629970072 /nfs/dbraw/zinc/97/00/72/629970072.db2.gz ALFWNWJPBNAAOM-OAHLLOKOSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001690971989 1158509512 /nfs/dbraw/zinc/50/95/12/1158509512.db2.gz HQCBMIQRTGYOJL-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001691198578 1158952192 /nfs/dbraw/zinc/95/21/92/1158952192.db2.gz ZGYLWRUMYMODQK-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001267203860 1159173911 /nfs/dbraw/zinc/17/39/11/1159173911.db2.gz ZNDHNSUJVSJNTP-UONOGXRCSA-N 2 0 265.401 1.237 10 30 CDEERP C=CC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001267327656 1159267649 /nfs/dbraw/zinc/26/76/49/1159267649.db2.gz VQIOWKFPQMREGK-UHFFFAOYSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268069698 1159774380 /nfs/dbraw/zinc/77/43/80/1159774380.db2.gz ZQNPIMPLDBXRAD-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000876708501 1165897425 /nfs/dbraw/zinc/89/74/25/1165897425.db2.gz RVHIQJBDMNKKSS-SNVBAGLBSA-N 2 0 261.797 1.160 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000876717701 1165898717 /nfs/dbraw/zinc/89/87/17/1165898717.db2.gz JQKPLRHPMUFHPP-AWEZNQCLSA-N 2 0 299.846 1.933 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000876794453 1165917644 /nfs/dbraw/zinc/91/76/44/1165917644.db2.gz WDRYYIQQSBQMHK-JQWIXIFHSA-N 2 0 294.786 1.306 10 30 CDEERP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001566720006 1168399780 /nfs/dbraw/zinc/39/97/80/1168399780.db2.gz QTCCEUQAXPYXIK-CVEARBPZSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001568367175 1169261738 /nfs/dbraw/zinc/26/17/38/1169261738.db2.gz FNWQSLASNJTZAQ-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001568537325 1169353949 /nfs/dbraw/zinc/35/39/49/1169353949.db2.gz PCHYJPUTZIFZGQ-KGLIPLIRSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CCC1 ZINC001570106392 1170082385 /nfs/dbraw/zinc/08/23/85/1170082385.db2.gz AQCOTKYVAUTYBE-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C#CCC[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001570720640 1170253834 /nfs/dbraw/zinc/25/38/34/1170253834.db2.gz WZCHSWGKVBBYFW-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001661554511 1172405144 /nfs/dbraw/zinc/40/51/44/1172405144.db2.gz CBNAZLIOBZSJDD-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[N@@H+](C)CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001663239715 1172659648 /nfs/dbraw/zinc/65/96/48/1172659648.db2.gz MVUWBGCEFCLAIL-UHFFFAOYSA-N 2 0 289.423 1.638 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001663388849 1172685949 /nfs/dbraw/zinc/68/59/49/1172685949.db2.gz IWQPRTIYJMXPGL-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001666800037 1173185781 /nfs/dbraw/zinc/18/57/81/1173185781.db2.gz COKRIFNNAASHEN-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001667211154 1173246682 /nfs/dbraw/zinc/24/66/82/1173246682.db2.gz RDFXNJKFWJDISV-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001672796815 1173801639 /nfs/dbraw/zinc/80/16/39/1173801639.db2.gz WLSNVJSJSSRMOI-GDBMZVCRSA-N 2 0 291.439 1.342 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@H](C)CC ZINC001674199600 1173923138 /nfs/dbraw/zinc/92/31/38/1173923138.db2.gz JEFAMDSRTOCPFI-PMPSAXMXSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001688946432 1175075271 /nfs/dbraw/zinc/07/52/71/1175075271.db2.gz ZYYOLCGYQCMBJX-IHRRRGAJSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[N@H+]1CCC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001690390289 1175457438 /nfs/dbraw/zinc/45/74/38/1175457438.db2.gz MUOCMINSQIQBMP-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001690535977 1175489908 /nfs/dbraw/zinc/48/99/08/1175489908.db2.gz UVXQGTGGWOXYDL-GPANFISMSA-N 2 0 291.439 1.511 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001698883816 1175976144 /nfs/dbraw/zinc/97/61/44/1175976144.db2.gz GEQOUJZVVPKQKU-HZPDHXFCSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001698917006 1175983781 /nfs/dbraw/zinc/98/37/81/1175983781.db2.gz GNEYCHTXLGYIMJ-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699313263 1176214252 /nfs/dbraw/zinc/21/42/52/1176214252.db2.gz BACDJMRLTZLKRG-PIGHNIFASA-N 2 0 291.439 1.841 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001699371157 1176328175 /nfs/dbraw/zinc/32/81/75/1176328175.db2.gz YOHBFUPLAARBAA-CYBMUJFWSA-N 2 0 299.378 1.551 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699528493 1176462946 /nfs/dbraw/zinc/46/29/46/1176462946.db2.gz HPUPDASLKITTQZ-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001699702499 1176570792 /nfs/dbraw/zinc/57/07/92/1176570792.db2.gz YZCKFTMWSILUAL-INIZCTEOSA-N 2 0 279.428 1.439 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCC)CC1 ZINC001699766012 1176613707 /nfs/dbraw/zinc/61/37/07/1176613707.db2.gz BYDMJMNYFJEJLM-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001700183807 1176786617 /nfs/dbraw/zinc/78/66/17/1176786617.db2.gz HJJMJJPJJWGLIV-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001700736737 1177101288 /nfs/dbraw/zinc/10/12/88/1177101288.db2.gz NFAQQBCFRGYCOZ-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001700905000 1177190662 /nfs/dbraw/zinc/19/06/62/1177190662.db2.gz CLHYTKOJQHFBAE-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001701028179 1177245146 /nfs/dbraw/zinc/24/51/46/1177245146.db2.gz SIPZPBHSYGCQQB-UHFFFAOYSA-N 2 0 277.412 1.073 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001701054967 1177257895 /nfs/dbraw/zinc/25/78/95/1177257895.db2.gz HTDJYAJEEMMDID-UHFFFAOYSA-N 2 0 291.439 1.795 10 30 CDEERP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001707137970 1177958067 /nfs/dbraw/zinc/95/80/67/1177958067.db2.gz GDRBPMDHGPBKJP-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001713084052 1178355532 /nfs/dbraw/zinc/35/55/32/1178355532.db2.gz ITUBOKWVMILMBO-KBPBESRZSA-N 2 0 265.401 1.237 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713278113 1178463367 /nfs/dbraw/zinc/46/33/67/1178463367.db2.gz QYOBLUDYVAGFPH-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713378740 1178528675 /nfs/dbraw/zinc/52/86/75/1178528675.db2.gz IZFVMMMCAQARTG-KGLIPLIRSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001713530684 1178629546 /nfs/dbraw/zinc/62/95/46/1178629546.db2.gz KNPOZRYRKYYWMR-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713536123 1178633439 /nfs/dbraw/zinc/63/34/39/1178633439.db2.gz RAQSCPXIAVFOFN-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001714033129 1178938114 /nfs/dbraw/zinc/93/81/14/1178938114.db2.gz SPZHGZBIEBJJBL-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001714040663 1178942713 /nfs/dbraw/zinc/94/27/13/1178942713.db2.gz AYMUDUXHAXJGEK-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001714110409 1178977212 /nfs/dbraw/zinc/97/72/12/1178977212.db2.gz CXCLBNCPNNGALN-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001714659756 1179305587 /nfs/dbraw/zinc/30/55/87/1179305587.db2.gz MATUWIZXNTYASF-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001714868881 1179431009 /nfs/dbraw/zinc/43/10/09/1179431009.db2.gz SWUSOIUIBUROHR-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001715235998 1179590149 /nfs/dbraw/zinc/59/01/49/1179590149.db2.gz ORNAPBYYJFLQLI-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001715238813 1179590978 /nfs/dbraw/zinc/59/09/78/1179590978.db2.gz IUXMOUSQPWDANC-CABCVRRESA-N 2 0 281.444 1.635 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715368852 1179646245 /nfs/dbraw/zinc/64/62/45/1179646245.db2.gz MJXOYOHGDUEJSY-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001715389693 1179653944 /nfs/dbraw/zinc/65/39/44/1179653944.db2.gz WQQLQBQXUXGLPY-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001715493156 1179681630 /nfs/dbraw/zinc/68/16/30/1179681630.db2.gz RNGLJPHQJBENFZ-CQSZACIVSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001715955372 1179940214 /nfs/dbraw/zinc/94/02/14/1179940214.db2.gz UIRVMEBKBKBQBI-CQSZACIVSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001716375699 1180172610 /nfs/dbraw/zinc/17/26/10/1180172610.db2.gz JDLOEGZJQYPJJT-ONEGZZNKSA-N 2 0 265.401 1.310 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716447953 1180215721 /nfs/dbraw/zinc/21/57/21/1180215721.db2.gz RAFUQUSGABRUDW-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001716632402 1180315777 /nfs/dbraw/zinc/31/57/77/1180315777.db2.gz ZYDFNKYUBCNYGV-MRXNPFEDSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001716880094 1180451925 /nfs/dbraw/zinc/45/19/25/1180451925.db2.gz FVXVSTVFQKVWJR-OAHLLOKOSA-N 2 0 277.412 1.096 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001716971686 1180486670 /nfs/dbraw/zinc/48/66/70/1180486670.db2.gz QHPYLEXNKRDHRH-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001717376039 1180635348 /nfs/dbraw/zinc/63/53/48/1180635348.db2.gz IZIWHHVPTXGUCL-ZIAGYGMSSA-N 2 0 265.401 1.047 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001717393725 1180644680 /nfs/dbraw/zinc/64/46/80/1180644680.db2.gz JYMWDKFTGKOLLX-WLYUNCDWSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001717500304 1180713428 /nfs/dbraw/zinc/71/34/28/1180713428.db2.gz QYQWHUXEHYFUQZ-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001717550647 1180734483 /nfs/dbraw/zinc/73/44/83/1180734483.db2.gz DFUUXXZCQSFDOU-AWEZNQCLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001722915899 1181493808 /nfs/dbraw/zinc/49/38/08/1181493808.db2.gz JDUWIOBGNNHFHD-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001723376974 1181544255 /nfs/dbraw/zinc/54/42/55/1181544255.db2.gz IUQCHGNEBMCOAI-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001723571699 1181588202 /nfs/dbraw/zinc/58/82/02/1181588202.db2.gz QHVKNXJOCHGCAB-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001724025738 1181630019 /nfs/dbraw/zinc/63/00/19/1181630019.db2.gz HQEXBVKXFLWHOK-GJZGRUSLSA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001724025739 1181630268 /nfs/dbraw/zinc/63/02/68/1181630268.db2.gz HQEXBVKXFLWHOK-HUUCEWRRSA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001724710471 1181731571 /nfs/dbraw/zinc/73/15/71/1181731571.db2.gz AIABVYOMTGVDTK-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCC1 ZINC001724794150 1181755843 /nfs/dbraw/zinc/75/58/43/1181755843.db2.gz SRJHWHVRCOHSSX-UHFFFAOYSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001725251792 1181939780 /nfs/dbraw/zinc/93/97/80/1181939780.db2.gz CZGPEKBCBOKTEG-UKRRQHHQSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001725364406 1181975180 /nfs/dbraw/zinc/97/51/80/1181975180.db2.gz PPDGAABTVZUFAF-JYJNAYRXSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725470950 1182011174 /nfs/dbraw/zinc/01/11/74/1182011174.db2.gz QHLYYRKEYWDMEC-GOEBONIOSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001725513094 1182031578 /nfs/dbraw/zinc/03/15/78/1182031578.db2.gz FYBGXIWLSSRMPT-RDJZCZTQSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001731486669 1182414677 /nfs/dbraw/zinc/41/46/77/1182414677.db2.gz TVKBELPBEUZGSH-KFWWJZLASA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001731506360 1182424585 /nfs/dbraw/zinc/42/45/85/1182424585.db2.gz YUAWYIWPXSKNKQ-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001731694146 1182521190 /nfs/dbraw/zinc/52/11/90/1182521190.db2.gz IEOMXZKNNOGDST-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001731705215 1182524009 /nfs/dbraw/zinc/52/40/09/1182524009.db2.gz VGBYEYNGRNHENW-HUUCEWRRSA-N 2 0 277.412 1.123 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001732057423 1182742607 /nfs/dbraw/zinc/74/26/07/1182742607.db2.gz NFCPQTVXVCEDFD-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001732217991 1182864682 /nfs/dbraw/zinc/86/46/82/1182864682.db2.gz MUWLKRJUWZKVQM-HNNXBMFYSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001732399468 1182945221 /nfs/dbraw/zinc/94/52/21/1182945221.db2.gz ANMJFZDDMLZUKN-UHFFFAOYSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001732559504 1183009523 /nfs/dbraw/zinc/00/95/23/1183009523.db2.gz AEPRDQFEXVOYCH-HZPDHXFCSA-N 2 0 293.455 1.470 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001732707064 1183094656 /nfs/dbraw/zinc/09/46/56/1183094656.db2.gz SYVJSXNROGZAJG-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001732773813 1183120651 /nfs/dbraw/zinc/12/06/51/1183120651.db2.gz GBSPTUJDQUTYFK-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732999421 1183229801 /nfs/dbraw/zinc/22/98/01/1183229801.db2.gz UNJGTRIQEAGYCJ-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001733100225 1183291558 /nfs/dbraw/zinc/29/15/58/1183291558.db2.gz ZMQNJIHVIQDQFD-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001733130357 1183302381 /nfs/dbraw/zinc/30/23/81/1183302381.db2.gz CHPOTMIIKWAJEA-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001733329168 1183397942 /nfs/dbraw/zinc/39/79/42/1183397942.db2.gz SRKAWTXGWQEFEV-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001733851539 1183549349 /nfs/dbraw/zinc/54/93/49/1183549349.db2.gz LMQZIDSKEJTRSH-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001734350244 1183743021 /nfs/dbraw/zinc/74/30/21/1183743021.db2.gz GDXWNPQLJYKDRK-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001734486216 1183797723 /nfs/dbraw/zinc/79/77/23/1183797723.db2.gz HBWAAZKQPDKCAC-JKSUJKDBSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001734503644 1183802395 /nfs/dbraw/zinc/80/23/95/1183802395.db2.gz FPEYOEYLZPLLRA-AWEZNQCLSA-N 2 0 279.428 1.177 10 30 CDEERP C[NH+](C)C[C@@H]1CN(c2cccnc2C#N)C[C@H]1C[NH+](C)C ZINC000866012220 1164722143 /nfs/dbraw/zinc/72/21/43/1164722143.db2.gz URFBDZBSXRWIDB-ZIAGYGMSSA-N 2 0 287.411 1.129 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876842808 1165925000 /nfs/dbraw/zinc/92/50/00/1165925000.db2.gz LQLYSLUBBVDOJN-YPMHNXCESA-N 2 0 271.792 1.058 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000876947288 1165945424 /nfs/dbraw/zinc/94/54/24/1165945424.db2.gz BQORIRWZCMBVIN-LBPRGKRZSA-N 2 0 285.750 1.371 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000876967320 1165950386 /nfs/dbraw/zinc/95/03/86/1165950386.db2.gz FBUVVPIEUZGDBS-GXTWGEPZSA-N 2 0 299.846 1.980 10 30 CDEERP C=CC[C@H](C(=O)OC)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000877969424 1166123652 /nfs/dbraw/zinc/12/36/52/1166123652.db2.gz AGWUZCOPQMEPRF-CYBMUJFWSA-N 2 0 254.374 1.378 10 30 CDEERP C=CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001567451116 1168771728 /nfs/dbraw/zinc/77/17/28/1168771728.db2.gz DODLWYQKRWHJFY-HZPDHXFCSA-N 2 0 291.439 1.770 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001266252354 893923504 /nfs/dbraw/zinc/92/35/04/893923504.db2.gz SBSFFOFAVSPLDM-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001266695187 895849419 /nfs/dbraw/zinc/84/94/19/895849419.db2.gz NROXNKUCWMSCQW-XHSDSOJGSA-N 2 0 291.439 1.367 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267068495 896679875 /nfs/dbraw/zinc/67/98/75/896679875.db2.gz YAWVHNBHAJGEFN-ZIAGYGMSSA-N 2 0 267.417 1.197 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001267217423 897180161 /nfs/dbraw/zinc/18/01/61/897180161.db2.gz GOCHEMMPRVJWRN-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267306689 897547906 /nfs/dbraw/zinc/54/79/06/897547906.db2.gz KITQHNMBLQTHRV-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C[C@H](C)CC)CC1 ZINC001480951322 898110673 /nfs/dbraw/zinc/11/06/73/898110673.db2.gz XARQGDAHNMGVSB-OAHLLOKOSA-N 2 0 293.455 1.426 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2ccnc2C)C1 ZINC001267548587 898323809 /nfs/dbraw/zinc/32/38/09/898323809.db2.gz IWUUYBSELLJUMD-OAHLLOKOSA-N 2 0 290.411 1.690 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267567913 898390807 /nfs/dbraw/zinc/39/08/07/898390807.db2.gz GPWRCCXBVDOTAF-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001481010167 898484959 /nfs/dbraw/zinc/48/49/59/898484959.db2.gz VDGNBZSZSHQUCE-UHFFFAOYSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001481112768 898883271 /nfs/dbraw/zinc/88/32/71/898883271.db2.gz RZWDBDNNGGYATK-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001267805101 899773369 /nfs/dbraw/zinc/77/33/69/899773369.db2.gz DQFCNRUQSDATRJ-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267826833 899824212 /nfs/dbraw/zinc/82/42/12/899824212.db2.gz CNFVZIVMLHTSEV-CHWSQXEVSA-N 2 0 255.406 1.243 10 30 CDEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001481330158 900427328 /nfs/dbraw/zinc/42/73/28/900427328.db2.gz YEZKTNIMZZBLMB-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268109989 901312894 /nfs/dbraw/zinc/31/28/94/901312894.db2.gz ARXNEQGLQLLKQW-HRCADAONSA-N 2 0 293.455 1.470 10 30 CDEERP C=CCCC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001268222827 901597004 /nfs/dbraw/zinc/59/70/04/901597004.db2.gz KUXORONJACFFDJ-HNNXBMFYSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268254874 901678118 /nfs/dbraw/zinc/67/81/18/901678118.db2.gz FZTCIYCBMSXVOD-CYBMUJFWSA-N 2 0 255.406 1.149 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001481677427 901780039 /nfs/dbraw/zinc/78/00/39/901780039.db2.gz FAVSRCSDXIEJME-PMPSAXMXSA-N 2 0 291.439 1.580 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001481751765 902013146 /nfs/dbraw/zinc/01/31/46/902013146.db2.gz OUCYCBTXWYZMSN-OAHLLOKOSA-N 2 0 279.428 1.581 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001482026536 902484484 /nfs/dbraw/zinc/48/44/84/902484484.db2.gz LVHSETSVFKHLTQ-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001268551497 902551479 /nfs/dbraw/zinc/55/14/79/902551479.db2.gz GIDLONJYDIISOA-NPQIQWPPSA-N 2 0 267.417 1.411 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001268555803 902556760 /nfs/dbraw/zinc/55/67/60/902556760.db2.gz LOQDRKFCYWCSPB-XFCCUVRLSA-N 2 0 289.423 1.289 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001482110192 902657690 /nfs/dbraw/zinc/65/76/90/902657690.db2.gz LXUNSTLRLCXTJW-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001482163288 902782136 /nfs/dbraw/zinc/78/21/36/902782136.db2.gz KBKZKOXVPPHZAM-HOCLYGCPSA-N 2 0 279.428 1.390 10 30 CDEERP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001269558169 903930065 /nfs/dbraw/zinc/93/00/65/903930065.db2.gz WZAURMSNMJWJCM-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001270443570 904638862 /nfs/dbraw/zinc/63/88/62/904638862.db2.gz IOPWDAKVVVPIDS-HUUCEWRRSA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001482299649 904780793 /nfs/dbraw/zinc/78/07/93/904780793.db2.gz NUIVFSGFWXJQQQ-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001482369190 905218397 /nfs/dbraw/zinc/21/83/97/905218397.db2.gz LLMXLLSFFBUGDW-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]C(C)C)CC1 ZINC001482369299 905219169 /nfs/dbraw/zinc/21/91/69/905219169.db2.gz WEOOFAXLEZAXSZ-CQSZACIVSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCC ZINC001567863511 1169030494 /nfs/dbraw/zinc/03/04/94/1169030494.db2.gz BTPBVGVXJOEWEJ-KBPBESRZSA-N 2 0 265.401 1.189 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001271261087 906214749 /nfs/dbraw/zinc/21/47/49/906214749.db2.gz GIHCAGCMBRQLRY-BZUAXINKSA-N 2 0 293.455 1.470 10 30 CDEERP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001271292637 906231649 /nfs/dbraw/zinc/23/16/49/906231649.db2.gz CXGZBORYCDMWQI-MRXNPFEDSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)CC)C1CCCCC1 ZINC001271354922 906265557 /nfs/dbraw/zinc/26/55/57/906265557.db2.gz UOMUIJARIZDTJF-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001271890815 906940034 /nfs/dbraw/zinc/94/00/34/906940034.db2.gz BUPRBHZAKQMCOE-HRCADAONSA-N 2 0 291.439 1.295 10 30 CDEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001507013788 909839820 /nfs/dbraw/zinc/83/98/20/909839820.db2.gz ZQSBQHMIJMDINC-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001493544223 911221072 /nfs/dbraw/zinc/22/10/72/911221072.db2.gz FYQZUYINMWSVLJ-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001273588272 921657511 /nfs/dbraw/zinc/65/75/11/921657511.db2.gz DXAXZVLDMZRKEN-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP Cc1cc(C#N)cc(C)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000929311592 921741459 /nfs/dbraw/zinc/74/14/59/921741459.db2.gz CVAPBLITPUVIOD-GJZGRUSLSA-N 2 0 255.365 1.826 10 30 CDEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484162248 915484990 /nfs/dbraw/zinc/48/49/90/915484990.db2.gz YSXZFQQDKVIBEZ-INMHGKMJSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484523494 915853899 /nfs/dbraw/zinc/85/38/99/915853899.db2.gz AHZPGNOKGUPGBP-HOTGVXAUSA-N 2 0 295.471 1.977 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001485325019 916845337 /nfs/dbraw/zinc/84/53/37/916845337.db2.gz QGVSCDSPBPVWSY-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272866133 919925957 /nfs/dbraw/zinc/92/59/57/919925957.db2.gz RUPGCAQVKKUJTH-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C1([NH+](C)C)CCCC1 ZINC001139874328 936655208 /nfs/dbraw/zinc/65/52/08/936655208.db2.gz VAKHFQXRLDWBOC-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001486086315 920685090 /nfs/dbraw/zinc/68/50/90/920685090.db2.gz VYCRLLVOIHWJNK-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001486122402 920730808 /nfs/dbraw/zinc/73/08/08/920730808.db2.gz QWRCQVRERFCMKS-VXGBXAGGSA-N 2 0 273.808 1.270 10 30 CDEERP C#CC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001486483587 921059151 /nfs/dbraw/zinc/05/91/51/921059151.db2.gz LRYHVCHRWWEJJC-GPANFISMSA-N 2 0 291.439 1.319 10 30 CDEERP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001649448342 1169257388 /nfs/dbraw/zinc/25/73/88/1169257388.db2.gz WSYKXMYXQSZPPQ-YOEHRIQHSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001649451733 1169259846 /nfs/dbraw/zinc/25/98/46/1169259846.db2.gz FAKPYERVZPGSIA-VXGBXAGGSA-N 2 0 273.808 1.318 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCO1 ZINC001273316792 925849835 /nfs/dbraw/zinc/84/98/35/925849835.db2.gz WWLAHAYRFOTEQL-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494869247 925961036 /nfs/dbraw/zinc/96/10/36/925961036.db2.gz SIOHZGNELZNFJN-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP CC1CC[NH+](CCCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852856204 927899614 /nfs/dbraw/zinc/89/96/14/927899614.db2.gz WCJCOFZHOSUXKZ-UHFFFAOYSA-N 2 0 291.439 1.228 10 30 CDEERP C#CC[C@@H](COC)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000858336071 928843146 /nfs/dbraw/zinc/84/31/46/928843146.db2.gz UNLAFGLSVIQFQP-INIZCTEOSA-N 2 0 290.407 1.755 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001568536783 1169353690 /nfs/dbraw/zinc/35/36/90/1169353690.db2.gz MFMRVLQVUBFTPJ-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001274840800 931589476 /nfs/dbraw/zinc/58/94/76/931589476.db2.gz JILJRCMQDHIOBB-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001275789981 932036160 /nfs/dbraw/zinc/03/61/60/932036160.db2.gz FJXIKNFHAHGTAP-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H]1c1ccccc1 ZINC000303792259 935044118 /nfs/dbraw/zinc/04/41/18/935044118.db2.gz YIPZTCBNKZGBCY-PMPSAXMXSA-N 2 0 286.423 1.931 10 30 CDEERP C#CC[NH2+]CC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001122201515 937912571 /nfs/dbraw/zinc/91/25/71/937912571.db2.gz PYKKHYZANQUJLD-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001276611884 940433704 /nfs/dbraw/zinc/43/37/04/940433704.db2.gz LNLUIHXYUNQCSY-JKSUJKDBSA-N 2 0 293.455 1.777 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001277094494 941944222 /nfs/dbraw/zinc/94/42/22/941944222.db2.gz XEASWPPCWKDGAD-GJZGRUSLSA-N 2 0 289.423 1.265 10 30 CDEERP CC#CC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001283340292 942880900 /nfs/dbraw/zinc/88/09/00/942880900.db2.gz HTQCRHPNRGWJEY-INIZCTEOSA-N 2 0 293.455 1.519 10 30 CDEERP C#CC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001284070360 943067979 /nfs/dbraw/zinc/06/79/79/943067979.db2.gz SUPFOXQPKPXFRT-RHSMWYFYSA-N 2 0 289.423 1.075 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001277597278 943087226 /nfs/dbraw/zinc/08/72/26/943087226.db2.gz CPFYISAYLSFSKO-JKSUJKDBSA-N 2 0 293.455 1.826 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC001284321994 943147054 /nfs/dbraw/zinc/14/70/54/943147054.db2.gz FCSKLHSEJLRLAW-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001284812705 943262586 /nfs/dbraw/zinc/26/25/86/943262586.db2.gz BKFSJVBJSBDHRB-UHFFFAOYSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC001263112440 943752600 /nfs/dbraw/zinc/75/26/00/943752600.db2.gz HUBHBCVVQUNONV-CHWSQXEVSA-N 2 0 253.390 1.223 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001263250971 943807073 /nfs/dbraw/zinc/80/70/73/943807073.db2.gz WJWYZUFWCMJDRV-GHMZBOCLSA-N 2 0 259.781 1.105 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001264008239 944062343 /nfs/dbraw/zinc/06/23/43/944062343.db2.gz HVJUOPBSQWRVNF-ILXRZTDVSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001264172643 944094229 /nfs/dbraw/zinc/09/42/29/944094229.db2.gz KMGZGCFYZBGUTK-KFWWJZLASA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC ZINC001264611518 944153752 /nfs/dbraw/zinc/15/37/52/944153752.db2.gz LARKTIHFOGBPIX-RRFJBIMHSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001265091250 944225337 /nfs/dbraw/zinc/22/53/37/944225337.db2.gz DEFHTAABWZULAO-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001265952594 944595186 /nfs/dbraw/zinc/59/51/86/944595186.db2.gz QTRWACCGXHQSSA-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CC)CC1 ZINC001278183850 945049031 /nfs/dbraw/zinc/04/90/31/945049031.db2.gz DAYMLKMLMDCGFP-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001278397416 947550469 /nfs/dbraw/zinc/55/04/69/947550469.db2.gz HHHAWKDMUDTISU-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001278398613 947559676 /nfs/dbraw/zinc/55/96/76/947559676.db2.gz OCQWJPLNUXHBAV-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001479986230 971526141 /nfs/dbraw/zinc/52/61/41/971526141.db2.gz GOZCMMXPBXETSV-CABCVRRESA-N 2 0 293.455 1.729 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480224071 971635922 /nfs/dbraw/zinc/63/59/22/971635922.db2.gz NWLJIVUUCIDRAA-KBXIAJHMSA-N 2 0 281.444 1.918 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001493028425 971927335 /nfs/dbraw/zinc/92/73/35/971927335.db2.gz BMHVFXGRRKSJOJ-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001325597785 953979389 /nfs/dbraw/zinc/97/93/89/953979389.db2.gz GDMJDZJTSCFKBI-JKSUJKDBSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001491599696 955308752 /nfs/dbraw/zinc/30/87/52/955308752.db2.gz BBSLWOKSWUJJLA-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001491685036 955355879 /nfs/dbraw/zinc/35/58/79/955355879.db2.gz XAZHFYBBPRPWCJ-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491810762 955477593 /nfs/dbraw/zinc/47/75/93/955477593.db2.gz OQISWPNSYWWADJ-GJZGRUSLSA-N 2 0 281.444 1.587 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001492113185 955631515 /nfs/dbraw/zinc/63/15/15/955631515.db2.gz PPWAKOCREPYGNG-GFCCVEGCSA-N 2 0 285.819 1.319 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001329845389 956139569 /nfs/dbraw/zinc/13/95/69/956139569.db2.gz FFFBLJWXDHHTRT-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001329876174 956154575 /nfs/dbraw/zinc/15/45/75/956154575.db2.gz PCTFPNOVBUFCEX-BZUAXINKSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494158515 972190795 /nfs/dbraw/zinc/19/07/95/972190795.db2.gz BBDWUAIGOWERNH-HUUCEWRRSA-N 2 0 281.444 1.539 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317477811 956635599 /nfs/dbraw/zinc/63/55/99/956635599.db2.gz PWKVFQCJGKTWPF-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001366218856 956645149 /nfs/dbraw/zinc/64/51/49/956645149.db2.gz ONVDPAVHEIHKJJ-CYBMUJFWSA-N 2 0 287.835 1.661 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001317158584 956990980 /nfs/dbraw/zinc/99/09/80/956990980.db2.gz USGPRQYLNMUXEO-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316775036 957007542 /nfs/dbraw/zinc/00/75/42/957007542.db2.gz PGNSPBADJUDELY-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001331458704 957076910 /nfs/dbraw/zinc/07/69/10/957076910.db2.gz LWOLNPYJVBZTAE-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317077615 957251828 /nfs/dbraw/zinc/25/18/28/957251828.db2.gz CEHPDHCHMVLIEA-YHUYYLMFSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317081425 957256238 /nfs/dbraw/zinc/25/62/38/957256238.db2.gz PIZQKTCDDMWCIE-BZUAXINKSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001317100471 957268849 /nfs/dbraw/zinc/26/88/49/957268849.db2.gz RHWLLTDEOKMGII-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001332064725 957421410 /nfs/dbraw/zinc/42/14/10/957421410.db2.gz OUARPGXQRLKTTM-KGLIPLIRSA-N 2 0 267.417 1.482 10 30 CDEERP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001317421261 957465410 /nfs/dbraw/zinc/46/54/10/957465410.db2.gz ABICVKMCBNDGRT-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317466667 957496402 /nfs/dbraw/zinc/49/64/02/957496402.db2.gz CTMNUYUSJRXJHB-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[N@H+](CCC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001317547972 957544419 /nfs/dbraw/zinc/54/44/19/957544419.db2.gz QXANGQRUFMPWQY-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001317555906 957550771 /nfs/dbraw/zinc/55/07/71/957550771.db2.gz YWUZEZPSSRNAPG-HNNXBMFYSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001332422972 957558530 /nfs/dbraw/zinc/55/85/30/957558530.db2.gz KFKBXXDIRKTLOO-LSDHHAIUSA-N 2 0 293.455 1.423 10 30 CDEERP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001317661191 957628144 /nfs/dbraw/zinc/62/81/44/957628144.db2.gz KHZROTSXXBEKOT-UHFFFAOYSA-N 2 0 299.418 1.182 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001317840955 957690908 /nfs/dbraw/zinc/69/09/08/957690908.db2.gz XZPJNYZRCNKEDS-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001318169731 957952879 /nfs/dbraw/zinc/95/28/79/957952879.db2.gz SLQVCUBUFGANIK-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001318970116 958324588 /nfs/dbraw/zinc/32/45/88/958324588.db2.gz XIZPUPUEPGFDNF-SHTZXODSSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320737309 959358923 /nfs/dbraw/zinc/35/89/23/959358923.db2.gz LLCUXOYEIODBGJ-HNNXBMFYSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001321066225 959568163 /nfs/dbraw/zinc/56/81/63/959568163.db2.gz ZBQBZEAUCLOMGI-FPLPWBNLSA-N 2 0 291.439 1.536 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001321849386 959983926 /nfs/dbraw/zinc/98/39/26/959983926.db2.gz MYPJZPHZZCGXTD-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001495416324 972493774 /nfs/dbraw/zinc/49/37/74/972493774.db2.gz RWZDOHGGBAZGBF-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](C(C)C)CC1 ZINC001569591549 1169931306 /nfs/dbraw/zinc/93/13/06/1169931306.db2.gz QXEDZJDFOYIYMK-UHFFFAOYSA-N 2 0 293.455 1.663 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496103134 972795265 /nfs/dbraw/zinc/79/52/65/972795265.db2.gz KGQQGSCJBHSXKK-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001496453139 972927671 /nfs/dbraw/zinc/92/76/71/972927671.db2.gz XPLOZKYFEHSUFA-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001497484395 973364014 /nfs/dbraw/zinc/36/40/14/973364014.db2.gz MJNZCNNJYGWTEV-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001497595437 973427131 /nfs/dbraw/zinc/42/71/31/973427131.db2.gz DPXXYIZOUQQUIP-JFDDCEBESA-N 2 0 291.439 1.841 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001497992045 973603274 /nfs/dbraw/zinc/60/32/74/973603274.db2.gz ARLDCFPCFXNSDF-CHWSQXEVSA-N 2 0 287.835 1.708 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001498567755 973984612 /nfs/dbraw/zinc/98/46/12/973984612.db2.gz DOPWFYXISWBAMO-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001498630755 974004492 /nfs/dbraw/zinc/00/44/92/974004492.db2.gz WUMLMQOJHQMBJL-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH+]1CCC(C)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001569707071 1169971066 /nfs/dbraw/zinc/97/10/66/1169971066.db2.gz KLOQPHSGMMUYRB-UHFFFAOYSA-N 2 0 291.439 1.324 10 30 CDEERP C#CC[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001499615502 974274357 /nfs/dbraw/zinc/27/43/57/974274357.db2.gz DSJAHIMZUYMVBK-KRWDZBQOSA-N 2 0 291.439 1.276 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001499845003 974314840 /nfs/dbraw/zinc/31/48/40/974314840.db2.gz TYQGTYCTQWDRGZ-GJZGRUSLSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001499954545 974343201 /nfs/dbraw/zinc/34/32/01/974343201.db2.gz DMTYGCFRWILNBZ-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001500006989 974350211 /nfs/dbraw/zinc/35/02/11/974350211.db2.gz LYMMIDPRMUEASR-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001500087968 974372281 /nfs/dbraw/zinc/37/22/81/974372281.db2.gz HIESFHFUNVHGDT-FVQBIDKESA-N 2 0 293.455 1.777 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001500397328 974431979 /nfs/dbraw/zinc/43/19/79/974431979.db2.gz UHBOMFNOODBXRZ-MRXNPFEDSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001501404196 974579123 /nfs/dbraw/zinc/57/91/23/974579123.db2.gz OOJWAKPYZORSBL-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001501741741 974633472 /nfs/dbraw/zinc/63/34/72/974633472.db2.gz BTHCVSCGFJJVLG-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001502780977 974783240 /nfs/dbraw/zinc/78/32/40/974783240.db2.gz NRNUAGOHUAZGJL-CQSZACIVSA-N 2 0 297.418 1.270 10 30 CDEERP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001377766492 975132459 /nfs/dbraw/zinc/13/24/59/975132459.db2.gz NMRULVVPRTXSDC-ZIAGYGMSSA-N 2 0 299.846 1.471 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001508038433 975583346 /nfs/dbraw/zinc/58/33/46/975583346.db2.gz QWKUPFWTDYJBTB-CQSZACIVSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)CC1(C)C ZINC001677033431 1174309491 /nfs/dbraw/zinc/30/94/91/1174309491.db2.gz ZIYDRKMISGCIFB-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001570022091 1170060847 /nfs/dbraw/zinc/06/08/47/1170060847.db2.gz NQYREZMTNLWTKN-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001571700226 1170526186 /nfs/dbraw/zinc/52/61/86/1170526186.db2.gz VFOVYIYSBBTQII-MRXNPFEDSA-N 2 0 291.439 1.653 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001656135525 1171775705 /nfs/dbraw/zinc/77/57/05/1171775705.db2.gz QDUMLXNVODHGGK-XUWVNRHRSA-N 2 0 291.439 1.224 10 30 CDEERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594440652 342907129 /nfs/dbraw/zinc/90/71/29/342907129.db2.gz HJQAUYWMZOKEMJ-UONOGXRCSA-N 2 0 280.416 1.198 10 30 CDEERP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600716788 342244313 /nfs/dbraw/zinc/24/43/13/342244313.db2.gz MJJSMGHPZMODKC-OWCLPIDISA-N 2 0 293.455 1.999 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000594424420 342904001 /nfs/dbraw/zinc/90/40/01/342904001.db2.gz DIFHFUNZBOPNDX-OAHLLOKOSA-N 2 0 292.427 1.388 10 30 CDEERP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594424671 342904098 /nfs/dbraw/zinc/90/40/98/342904098.db2.gz HXBPEZQRTQSDAJ-OCCSQVGLSA-N 2 0 268.405 1.277 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000594425667 342904199 /nfs/dbraw/zinc/90/41/99/342904199.db2.gz LURBPKUNHCUAJV-CQSZACIVSA-N 2 0 286.379 1.682 10 30 CDEERP C[C@H](CCC#N)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000574162306 371699615 /nfs/dbraw/zinc/69/96/15/371699615.db2.gz GHAKUNGNLVMUES-VPSFDDGASA-N 2 0 290.455 1.921 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001661643808 1172421473 /nfs/dbraw/zinc/42/14/73/1172421473.db2.gz IOIOCUIZSQUYDK-BMFZPTHFSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001661645408 1172423070 /nfs/dbraw/zinc/42/30/70/1172423070.db2.gz ZMLSAYGZUXUDDN-GASCZTMLSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[C@]1(C(=O)N(C)CC[C@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000662427495 413007990 /nfs/dbraw/zinc/00/79/90/413007990.db2.gz HZIKVAYYGDCRRT-DZGCQCFKSA-N 2 0 267.417 1.517 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662449105 413028667 /nfs/dbraw/zinc/02/86/67/413028667.db2.gz VBQKHZBGIALEMX-QGZVFWFLSA-N 2 0 299.418 1.988 10 30 CDEERP C[N@@H+]1CC[C@]2(CC[NH+](CCCSCC#N)C2)C1 ZINC000368317624 390945248 /nfs/dbraw/zinc/94/52/48/390945248.db2.gz MZZWQHGICWPSKU-ZDUSSCGKSA-N 2 0 253.415 1.661 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[NH+](C(C)C)C(C)C)CCC[NH2+]1 ZINC000662660009 413263055 /nfs/dbraw/zinc/26/30/55/413263055.db2.gz APGVCNFXVVLMPG-INIZCTEOSA-N 2 0 281.444 1.920 10 30 CDEERP C=CCNC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294091 414620739 /nfs/dbraw/zinc/62/07/39/414620739.db2.gz IUCBBPLGQPCANB-CQSZACIVSA-N 2 0 265.401 1.000 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001666562797 1173152328 /nfs/dbraw/zinc/15/23/28/1173152328.db2.gz BGUQBMSAEZOOLA-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001666903689 1173206041 /nfs/dbraw/zinc/20/60/41/1173206041.db2.gz WPUWDHNMFWTMSF-DZGCQCFKSA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[C@]1(C(=O)NCC[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000662710341 424356153 /nfs/dbraw/zinc/35/61/53/424356153.db2.gz GYSMGCLIEHGKHD-CQSZACIVSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001669812304 1173612738 /nfs/dbraw/zinc/61/27/38/1173612738.db2.gz XSRCFAHLVVTABZ-ZFWWWQNUSA-N 2 0 279.428 1.341 10 30 CDEERP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCC(C)CC1 ZINC000261699441 329978450 /nfs/dbraw/zinc/97/84/50/329978450.db2.gz CHKNUOQBRJVRBD-KGLIPLIRSA-N 2 0 282.432 1.190 10 30 CDEERP C[C@H]1CN(C(=[NH2+])NCC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000262485453 330016790 /nfs/dbraw/zinc/01/67/90/330016790.db2.gz SJSXXRAYTUYWDD-ZDUSSCGKSA-N 2 0 282.432 1.286 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001267203858 1159173343 /nfs/dbraw/zinc/17/33/43/1159173343.db2.gz ZNDHNSUJVSJNTP-KGLIPLIRSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267776807 1159597098 /nfs/dbraw/zinc/59/70/98/1159597098.db2.gz NDGLBERDFWKXIP-UONOGXRCSA-N 2 0 267.417 1.435 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482354210 1160169423 /nfs/dbraw/zinc/16/94/23/1160169423.db2.gz PDFDSWGVDCYFLO-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485811946 1161294365 /nfs/dbraw/zinc/29/43/65/1161294365.db2.gz RRYYNWBVTZWMBY-FVQBIDKESA-N 2 0 291.439 1.177 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001715416156 1179662293 /nfs/dbraw/zinc/66/22/93/1179662293.db2.gz HCBYVFVMIULYNX-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001725506099 1182028935 /nfs/dbraw/zinc/02/89/35/1182028935.db2.gz SRADDAGUZNFXCF-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP CC[NH+]1CCN(CCOc2cccc(C#CC[NH3+])c2)CC1 ZINC000049608712 521684058 /nfs/dbraw/zinc/68/40/58/521684058.db2.gz HRJBYULGHWPSLI-UHFFFAOYSA-N 2 0 287.407 1.013 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001689348654 1175150199 /nfs/dbraw/zinc/15/01/99/1175150199.db2.gz DTWPPHQMYDSHGG-LSDHHAIUSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001690092940 1175371587 /nfs/dbraw/zinc/37/15/87/1175371587.db2.gz CNQLIBBFBXMFJR-KBPBESRZSA-N 2 0 285.407 1.433 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001690199072 1175402256 /nfs/dbraw/zinc/40/22/56/1175402256.db2.gz JAFRSNMIPZXVGV-JKSUJKDBSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001690211815 1175405362 /nfs/dbraw/zinc/40/53/62/1175405362.db2.gz ORZUOBHTJDEEQL-OKILXGFUSA-N 2 0 265.401 1.189 10 30 CDEERP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902794449 625413180 /nfs/dbraw/zinc/41/31/80/625413180.db2.gz VZKVVWLMNMQXBF-GFCCVEGCSA-N 2 0 258.369 1.946 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCC[NH+]1CCCCC1 ZINC000899991466 622607837 /nfs/dbraw/zinc/60/78/37/622607837.db2.gz NVUJRIGBFZHZSP-UHFFFAOYSA-N 2 0 267.417 1.487 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000900204724 622801174 /nfs/dbraw/zinc/80/11/74/622801174.db2.gz OADYZRXSLBZICV-DZGCQCFKSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000900726164 623411473 /nfs/dbraw/zinc/41/14/73/623411473.db2.gz SJXNLUXIENGUFZ-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000900824977 623533377 /nfs/dbraw/zinc/53/33/77/623533377.db2.gz QHUYIVVYUYRLHS-KBPBESRZSA-N 2 0 267.417 1.435 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877151199 630623874 /nfs/dbraw/zinc/62/38/74/630623874.db2.gz HMMGFROILZMXNK-WDEREUQCSA-N 2 0 273.808 1.351 10 30 CDEERP C=CC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001690982198 1158512978 /nfs/dbraw/zinc/51/29/78/1158512978.db2.gz SPVULZBTEWDQMK-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@@H+](C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001692021136 1158951764 /nfs/dbraw/zinc/95/17/64/1158951764.db2.gz VJHHHXIXTFDMLO-UHFFFAOYSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001691319634 1159015416 /nfs/dbraw/zinc/01/54/16/1159015416.db2.gz PFOFSXIRVZMACL-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CCC ZINC001691378736 1159044095 /nfs/dbraw/zinc/04/40/95/1159044095.db2.gz PVEHKMYNEDBDKB-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001670701412 1158698433 /nfs/dbraw/zinc/69/84/33/1158698433.db2.gz RHWLWXWCHAIDJO-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001267203857 1159174058 /nfs/dbraw/zinc/17/40/58/1159174058.db2.gz ZNDHNSUJVSJNTP-KBPBESRZSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000876738094 1165905219 /nfs/dbraw/zinc/90/52/19/1165905219.db2.gz ZGLHRYQNYRAVLK-RTXFEEFZSA-N 2 0 287.835 1.693 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+](CC)C(C)C ZINC000876750901 1165909915 /nfs/dbraw/zinc/90/99/15/1165909915.db2.gz YWNGOMPIVVCPGA-LLVKDONJSA-N 2 0 261.797 1.303 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000876800626 1165918542 /nfs/dbraw/zinc/91/85/42/1165918542.db2.gz OWZNQLCGQYQNOO-LBPRGKRZSA-N 2 0 297.790 1.216 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000876849034 1165927501 /nfs/dbraw/zinc/92/75/01/1165927501.db2.gz VWOMRCCHSAQJHW-CYBMUJFWSA-N 2 0 287.835 1.824 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000876846057 1165927681 /nfs/dbraw/zinc/92/76/81/1165927681.db2.gz MEHYJIGMCHKFBB-KGLIPLIRSA-N 2 0 293.798 1.460 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000876913284 1165938113 /nfs/dbraw/zinc/93/81/13/1165938113.db2.gz PSFNZXBFOFJXSM-AVGNSLFASA-N 2 0 285.819 1.447 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000876937457 1165944902 /nfs/dbraw/zinc/94/49/02/1165944902.db2.gz WZTPURBHZMHIRC-ZIAGYGMSSA-N 2 0 293.798 1.541 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000877206963 1165995385 /nfs/dbraw/zinc/99/53/85/1165995385.db2.gz TWRWUDAKLQQRLE-NSHDSACASA-N 2 0 273.808 1.399 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001637612118 1166772682 /nfs/dbraw/zinc/77/26/82/1166772682.db2.gz IVFYEHSXQQTTLW-STQMWFEESA-N 2 0 253.390 1.045 10 30 CDEERP C=CC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001566071094 1168226659 /nfs/dbraw/zinc/22/66/59/1168226659.db2.gz HHAANEBAAMMQPG-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001566694850 1168389585 /nfs/dbraw/zinc/38/95/85/1168389585.db2.gz OZBAADJDNWUNNY-HNNXBMFYSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566905493 1168461639 /nfs/dbraw/zinc/46/16/39/1168461639.db2.gz QKEWGEHOUYJXEY-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001567216261 1168625747 /nfs/dbraw/zinc/62/57/47/1168625747.db2.gz PRYRCUMRPIHLEE-MGPQQGTHSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)CC[NH+]1CC(NC(=O)CCCC[NH+](C)C)C1 ZINC001567813919 1168989802 /nfs/dbraw/zinc/98/98/02/1168989802.db2.gz UEWMDQSUTQIMPU-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001568391877 1169271974 /nfs/dbraw/zinc/27/19/74/1169271974.db2.gz DOYADUCCRKJJFZ-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001568496388 1169331208 /nfs/dbraw/zinc/33/12/08/1169331208.db2.gz SDHVGEIGZXYXSP-ZIAGYGMSSA-N 2 0 290.411 1.490 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001569303103 1169755595 /nfs/dbraw/zinc/75/55/95/1169755595.db2.gz JHYIHNLAMZJMSZ-CVEARBPZSA-N 2 0 291.439 1.389 10 30 CDEERP C=CC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001569921279 1170036206 /nfs/dbraw/zinc/03/62/06/1170036206.db2.gz IMGNJKNHHCTHPB-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCNC(=O)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001657030189 1171916433 /nfs/dbraw/zinc/91/64/33/1171916433.db2.gz QVEWWXKILQLIMT-UHFFFAOYSA-N 2 0 291.395 1.019 10 30 CDEERP CC#CC[NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001662126076 1172486612 /nfs/dbraw/zinc/48/66/12/1172486612.db2.gz FDAYPACWLUQOBJ-UHFFFAOYSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001664370075 1172845876 /nfs/dbraw/zinc/84/58/76/1172845876.db2.gz WNVAWGXANNXZSI-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001664849590 1172920748 /nfs/dbraw/zinc/92/07/48/1172920748.db2.gz RTRVLSXDGFWCLK-HNNXBMFYSA-N 2 0 279.428 1.132 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001666674065 1173171017 /nfs/dbraw/zinc/17/10/17/1173171017.db2.gz ZBWDZJQZXXZVQW-HZPDHXFCSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001671564865 1173690029 /nfs/dbraw/zinc/69/00/29/1173690029.db2.gz ZDGQLBZEUIKBLC-ZBFHGGJFSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001673380290 1173851261 /nfs/dbraw/zinc/85/12/61/1173851261.db2.gz KDLMLRUZTAYTPM-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001677263352 1174341781 /nfs/dbraw/zinc/34/17/81/1174341781.db2.gz PNHAIEUOXDTQIN-KGLIPLIRSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001677335288 1174350543 /nfs/dbraw/zinc/35/05/43/1174350543.db2.gz UTTQOOUYEOILGM-CQSZACIVSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001689083649 1175095857 /nfs/dbraw/zinc/09/58/57/1175095857.db2.gz NUSBCRSCLYQAOZ-ILXRZTDVSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001690456503 1175475435 /nfs/dbraw/zinc/47/54/35/1175475435.db2.gz BMZZHJBGHLKIOS-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001690740642 1175560916 /nfs/dbraw/zinc/56/09/16/1175560916.db2.gz AZKAUHKFYOJOTD-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001690757741 1175564937 /nfs/dbraw/zinc/56/49/37/1175564937.db2.gz OHFIQRHCVSARGB-HNNXBMFYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001691790270 1175627288 /nfs/dbraw/zinc/62/72/88/1175627288.db2.gz NTNXXLKXVQPMHR-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691975720 1175659835 /nfs/dbraw/zinc/65/98/35/1175659835.db2.gz KFACJQPNSFQHML-HNNXBMFYSA-N 2 0 291.439 1.132 10 30 CDEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001692129654 1175681614 /nfs/dbraw/zinc/68/16/14/1175681614.db2.gz ZKRLXHWAOSCVCF-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)CC(C)(C)C1 ZINC001692280138 1175723361 /nfs/dbraw/zinc/72/33/61/1175723361.db2.gz PQNACEMVAHEURQ-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001698847379 1175961666 /nfs/dbraw/zinc/96/16/66/1175961666.db2.gz HPSQZNHJJIFTNA-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699182056 1176130498 /nfs/dbraw/zinc/13/04/98/1176130498.db2.gz ZUAJWDDUFJWTBX-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699344202 1176274389 /nfs/dbraw/zinc/27/43/89/1176274389.db2.gz GZPZAUQRRRHTDW-WLMCBFPDSA-N 2 0 291.439 1.392 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001699762251 1176612512 /nfs/dbraw/zinc/61/25/12/1176612512.db2.gz ORGCSJRSGJMYMS-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCC)CC1 ZINC001699766011 1176614239 /nfs/dbraw/zinc/61/42/39/1176614239.db2.gz BYDMJMNYFJEJLM-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001699837517 1176650628 /nfs/dbraw/zinc/65/06/28/1176650628.db2.gz PZCKDLTXCPBJSR-DOTOQJQBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001700079273 1176741140 /nfs/dbraw/zinc/74/11/40/1176741140.db2.gz JXSJAXKSUZFAQY-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001700106649 1176747553 /nfs/dbraw/zinc/74/75/53/1176747553.db2.gz QWQWAQVFMYDOGJ-UHFFFAOYSA-N 2 0 265.401 1.049 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC1 ZINC001700159650 1176776394 /nfs/dbraw/zinc/77/63/94/1176776394.db2.gz ZHGPYBXZCSQKOS-AWEZNQCLSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001700480565 1176969585 /nfs/dbraw/zinc/96/95/85/1176969585.db2.gz KVQDQNBXWRYSJU-CQSZACIVSA-N 2 0 289.423 1.984 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001700714627 1177087708 /nfs/dbraw/zinc/08/77/08/1177087708.db2.gz LQTAOPSSKFXIFS-CVEARBPZSA-N 2 0 295.471 1.716 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001700761371 1177118924 /nfs/dbraw/zinc/11/89/24/1177118924.db2.gz QWARXYVTWYMOBJ-ZDUSSCGKSA-N 2 0 298.390 1.716 10 30 CDEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)CC[N@@H+](C)CC)CC1 ZINC001701006571 1177236838 /nfs/dbraw/zinc/23/68/38/1177236838.db2.gz KNCBTZRKNJZQAR-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001713112111 1178373531 /nfs/dbraw/zinc/37/35/31/1178373531.db2.gz FYXWDFZXXRFGDE-HOTGVXAUSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001713278137 1178462842 /nfs/dbraw/zinc/46/28/42/1178462842.db2.gz REWWEEUSDYRXQD-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713311678 1178490190 /nfs/dbraw/zinc/49/01/90/1178490190.db2.gz VVEGOEKAEQXZQK-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001713343707 1178510771 /nfs/dbraw/zinc/51/07/71/1178510771.db2.gz ZNQVEAQEXWVOMR-HUUCEWRRSA-N 2 0 297.418 1.128 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)CCc2c[nH]cn2)C1 ZINC001713906367 1178836362 /nfs/dbraw/zinc/83/63/62/1178836362.db2.gz RDVXERFLSUARPJ-UHFFFAOYSA-N 2 0 276.384 1.357 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001714149566 1178993271 /nfs/dbraw/zinc/99/32/71/1178993271.db2.gz ZDGVVNOQJNYWGY-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001714249405 1179046767 /nfs/dbraw/zinc/04/67/67/1179046767.db2.gz TUVCIDWKCLXBOD-LBPRGKRZSA-N 2 0 284.363 1.374 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001714412335 1179128714 /nfs/dbraw/zinc/12/87/14/1179128714.db2.gz MIEMGRLOGOTJPR-CVEARBPZSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001714446672 1179143396 /nfs/dbraw/zinc/14/33/96/1179143396.db2.gz VWXAJOWZIIWBJC-HZPDHXFCSA-N 2 0 293.455 1.519 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)C[NH+](C)C(C)C ZINC001714661106 1179306116 /nfs/dbraw/zinc/30/61/16/1179306116.db2.gz ZPKSQSFIAPTOCI-UHFFFAOYSA-N 2 0 267.417 1.178 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001714867251 1179428573 /nfs/dbraw/zinc/42/85/73/1179428573.db2.gz NMCCZHCESKUSQU-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001714906645 1179446647 /nfs/dbraw/zinc/44/66/47/1179446647.db2.gz UMFYOPFBDVCGKA-HZPDHXFCSA-N 2 0 291.439 1.132 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714906815 1179447273 /nfs/dbraw/zinc/44/72/73/1179447273.db2.gz GEHBXIOPMZZPIN-MRXNPFEDSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001714982045 1179489601 /nfs/dbraw/zinc/48/96/01/1179489601.db2.gz MYVAPCKPDRCBIQ-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001715066800 1179537376 /nfs/dbraw/zinc/53/73/76/1179537376.db2.gz YCOIZTVVZDSPHM-ZBFHGGJFSA-N 2 0 291.439 1.511 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C[C@@H]1C ZINC001715096371 1179549737 /nfs/dbraw/zinc/54/97/37/1179549737.db2.gz FKTQVFMIKKHQKM-GXTWGEPZSA-N 2 0 288.395 1.111 10 30 CDEERP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001715200772 1179575169 /nfs/dbraw/zinc/57/51/69/1179575169.db2.gz QBYHWXZBRDMPSC-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715317613 1179620672 /nfs/dbraw/zinc/62/06/72/1179620672.db2.gz UXHCEGJPUPUOQQ-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001715591427 1179727563 /nfs/dbraw/zinc/72/75/63/1179727563.db2.gz AYBKLMHTSYJLRF-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715652797 1179753375 /nfs/dbraw/zinc/75/33/75/1179753375.db2.gz KQTKZRMFVZAUHF-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001715729515 1179781964 /nfs/dbraw/zinc/78/19/64/1179781964.db2.gz MTLSBZZPYJWNOQ-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001716578727 1180291480 /nfs/dbraw/zinc/29/14/80/1180291480.db2.gz CMJZGFZPLOMDTG-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)CCC)C[C@@]2(C)C1 ZINC001717632974 1180765255 /nfs/dbraw/zinc/76/52/55/1180765255.db2.gz XYSSYZDKKVXSMI-CALCHBBNSA-N 2 0 293.455 1.685 10 30 CDEERP C=CC[NH+](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001717705432 1180796898 /nfs/dbraw/zinc/79/68/98/1180796898.db2.gz FWFGAWBPWQRCSA-UHFFFAOYSA-N 2 0 267.417 1.435 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001717859893 1180897481 /nfs/dbraw/zinc/89/74/81/1180897481.db2.gz GIWFPPAACPRMLN-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001724974780 1181810602 /nfs/dbraw/zinc/81/06/02/1181810602.db2.gz OXSCQSVKEMDGAW-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001725002903 1181820214 /nfs/dbraw/zinc/82/02/14/1181820214.db2.gz MQVMWRFHWKLDIW-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCOCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001725171035 1181903089 /nfs/dbraw/zinc/90/30/89/1181903089.db2.gz CZZUSABEPPITMI-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725184719 1181912265 /nfs/dbraw/zinc/91/22/65/1181912265.db2.gz AATSBPXSOVGGCW-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001725343623 1181966539 /nfs/dbraw/zinc/96/65/39/1181966539.db2.gz VVBFXVPLQYEACE-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001731720701 1182531936 /nfs/dbraw/zinc/53/19/36/1182531936.db2.gz SXINFQBWQOPWNS-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001732082524 1182757140 /nfs/dbraw/zinc/75/71/40/1182757140.db2.gz OZNRGYYNSIONII-CQSZACIVSA-N 2 0 279.428 1.295 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001732748626 1183107791 /nfs/dbraw/zinc/10/77/91/1183107791.db2.gz ZNSKPIANOATGFY-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732849762 1183157413 /nfs/dbraw/zinc/15/74/13/1183157413.db2.gz OQJAKVOEXGLKOB-XEVLESSRSA-N 2 0 279.428 1.555 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732971392 1183211915 /nfs/dbraw/zinc/21/19/15/1183211915.db2.gz AXJJZGKVMSJUHO-CJNGLKHVSA-N 2 0 299.434 1.869 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001733100719 1183291764 /nfs/dbraw/zinc/29/17/64/1183291764.db2.gz IWARDFXIQLDNJR-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001733170389 1183314728 /nfs/dbraw/zinc/31/47/28/1183314728.db2.gz HFXZLRFVUHBKJX-HRCADAONSA-N 2 0 293.455 1.777 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001733334593 1183400620 /nfs/dbraw/zinc/40/06/20/1183400620.db2.gz AVTGJLOMPZUJBL-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001733336653 1183400659 /nfs/dbraw/zinc/40/06/59/1183400659.db2.gz XOCOACBVQLIZBJ-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001733334721 1183400683 /nfs/dbraw/zinc/40/06/83/1183400683.db2.gz XKDZXDDLSZAGKB-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001733362648 1183410589 /nfs/dbraw/zinc/41/05/89/1183410589.db2.gz HWFQBIVZSDGRQX-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001733446277 1183435333 /nfs/dbraw/zinc/43/53/33/1183435333.db2.gz UDBQMZJGSUOCQG-WBVHZDCISA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001733525124 1183456392 /nfs/dbraw/zinc/45/63/92/1183456392.db2.gz BCBBBORPXWPWNA-UONOGXRCSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001733550838 1183463980 /nfs/dbraw/zinc/46/39/80/1183463980.db2.gz FYYXGUMOJUPHMR-ZBFHGGJFSA-N 2 0 293.455 1.588 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001734041050 1183631262 /nfs/dbraw/zinc/63/12/62/1183631262.db2.gz SLRHQIKKLWHXJH-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001734298877 1183719575 /nfs/dbraw/zinc/71/95/75/1183719575.db2.gz QIKIFUUUEYWIOX-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CC2CC2)CC1 ZINC001734355549 1183745268 /nfs/dbraw/zinc/74/52/68/1183745268.db2.gz FQQSSQXYJGBYIG-CQSZACIVSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001734601745 1183841316 /nfs/dbraw/zinc/84/13/16/1183841316.db2.gz YJAVOLWVLNVGMQ-FHERZECASA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876753971 1165908925 /nfs/dbraw/zinc/90/89/25/1165908925.db2.gz AFBKAGQNGBDRKO-QWHCGFSZSA-N 2 0 265.401 1.126 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877249309 784113761 /nfs/dbraw/zinc/11/37/61/784113761.db2.gz ITCLSNBMTJPUQP-SRVKXCTJSA-N 2 0 271.792 1.009 10 30 CDEERP CN1C[C@@]2(C)C[NH+](CCCSCC#N)C[C@]2(C)C1 ZINC000931311715 784786890 /nfs/dbraw/zinc/78/68/90/784786890.db2.gz SDGVJZMLMMCLHO-KBPBESRZSA-N 2 0 267.442 1.907 10 30 CDEERP [NH3+]Cc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852876397 784789271 /nfs/dbraw/zinc/78/92/71/784789271.db2.gz HFHFKOUDIBYSNL-UHFFFAOYSA-N 2 0 257.337 1.087 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000876873328 786393433 /nfs/dbraw/zinc/39/34/33/786393433.db2.gz CSHGWBXPWDUBID-CYBMUJFWSA-N 2 0 287.835 1.789 10 30 CDEERP C[C@H]1C[NH+]=C(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)N1 ZINC000262681315 787178694 /nfs/dbraw/zinc/17/86/94/787178694.db2.gz WJPXFWFXZSNADA-WMLDXEAASA-N 2 0 286.423 1.978 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876956441 787511492 /nfs/dbraw/zinc/51/14/92/787511492.db2.gz KDXXUPZWBADKIJ-RYUDHWBXSA-N 2 0 287.835 1.693 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000876787850 787804193 /nfs/dbraw/zinc/80/41/93/787804193.db2.gz WUVRMRBFOZPCOR-RWMBFGLXSA-N 2 0 285.819 1.447 10 30 CDEERP C=CCNC(=O)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156694 787892418 /nfs/dbraw/zinc/89/24/18/787892418.db2.gz CJHUCFZRRIOULS-ZBFHGGJFSA-N 2 0 293.455 1.908 10 30 CDEERP C=CCCn1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)nn1 ZINC000923495149 788024291 /nfs/dbraw/zinc/02/42/91/788024291.db2.gz ULLIUMBZPYIIGT-CHWSQXEVSA-N 2 0 263.389 1.271 10 30 CDEERP CCCNC(N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)=[NH+]CC ZINC000261962010 788084783 /nfs/dbraw/zinc/08/47/83/788084783.db2.gz KJFHZKGJLFKEKC-CHWSQXEVSA-N 2 0 254.422 1.680 10 30 CDEERP CCNC(NC[C@@H]1CC[N@@H+]1C1CCCCC1)=[NH+]CC ZINC000864357386 788734748 /nfs/dbraw/zinc/73/47/48/788734748.db2.gz VQJYJYFFFJEZTA-AWEZNQCLSA-N 2 0 266.433 1.968 10 30 CDEERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852862562 789337996 /nfs/dbraw/zinc/33/79/96/789337996.db2.gz BIXPUEHGCGRTML-MRXNPFEDSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000876717037 789807151 /nfs/dbraw/zinc/80/71/51/789807151.db2.gz UGSDFDQQMWUUJI-LBPRGKRZSA-N 2 0 271.792 1.199 10 30 CDEERP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000852858828 789838776 /nfs/dbraw/zinc/83/87/76/789838776.db2.gz INCAGXJSHSEAQP-CABCVRRESA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001566755820 1168034522 /nfs/dbraw/zinc/03/45/22/1168034522.db2.gz SRSGQLPHHPFILL-OAGGEKHMSA-N 2 0 293.455 1.968 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568171573 1168095839 /nfs/dbraw/zinc/09/58/39/1168095839.db2.gz DBWMAISZWWQXNI-SOUVJXGZSA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001566745099 1168406207 /nfs/dbraw/zinc/40/62/07/1168406207.db2.gz GDCYLCUXSGYLRZ-ZDUSSCGKSA-N 2 0 276.384 1.309 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001567175224 1168606065 /nfs/dbraw/zinc/60/60/65/1168606065.db2.gz WUKURFGAQCNDHM-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001483742501 913571917 /nfs/dbraw/zinc/57/19/17/913571917.db2.gz KYFYHENMUWKFJO-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001567409767 1168740789 /nfs/dbraw/zinc/74/07/89/1168740789.db2.gz OPHPRMATTUDTII-HNNXBMFYSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266347791 894484587 /nfs/dbraw/zinc/48/45/87/894484587.db2.gz RIAWUWZZLOIXAK-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001266485525 895038879 /nfs/dbraw/zinc/03/88/79/895038879.db2.gz DHUKOMCCHLVJSV-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001266897516 896299061 /nfs/dbraw/zinc/29/90/61/896299061.db2.gz NOYJMWCJZPMXLH-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480992656 898443385 /nfs/dbraw/zinc/44/33/85/898443385.db2.gz XBUWGVJUYKEXSY-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001267711528 899345701 /nfs/dbraw/zinc/34/57/01/899345701.db2.gz ZPHANQPQWUPVTM-YHUYYLMFSA-N 2 0 291.439 1.720 10 30 CDEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001267858713 899881335 /nfs/dbraw/zinc/88/13/35/899881335.db2.gz URXPFOQKJRGPTJ-KRWDZBQOSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C[C@@](C)(NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001267858042 899883472 /nfs/dbraw/zinc/88/34/72/899883472.db2.gz LIFASBJXIGHAHV-RHSMWYFYSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001481363790 900497392 /nfs/dbraw/zinc/49/73/92/900497392.db2.gz VBPBTFJSFNQSJD-HOTGVXAUSA-N 2 0 285.391 1.161 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001342739377 901178401 /nfs/dbraw/zinc/17/84/01/901178401.db2.gz UCJYPZFQLCURSA-ZFWWWQNUSA-N 2 0 265.401 1.415 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001268136948 901381282 /nfs/dbraw/zinc/38/12/82/901381282.db2.gz XFHRVJHTFKOPOL-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001567776660 1168964051 /nfs/dbraw/zinc/96/40/51/1168964051.db2.gz JACQFZXPJVGGJF-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001481880843 902257161 /nfs/dbraw/zinc/25/71/61/902257161.db2.gz HSQKZEIDEKUFAP-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268658717 902912913 /nfs/dbraw/zinc/91/29/13/902912913.db2.gz NAPGOIHBJCZLDZ-ILXRZTDVSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001268732383 903051684 /nfs/dbraw/zinc/05/16/84/903051684.db2.gz JCINQBSQHWXKHR-KBPBESRZSA-N 2 0 285.407 1.126 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001269449058 903817452 /nfs/dbraw/zinc/81/74/52/903817452.db2.gz SOPIIMLMUJNCBO-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001269489271 903854409 /nfs/dbraw/zinc/85/44/09/903854409.db2.gz LUOSBSJFAOUNAV-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001269980076 904247729 /nfs/dbraw/zinc/24/77/29/904247729.db2.gz DLVGIIIJGIJZGQ-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH+]1CCC2(C1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001270336605 904540908 /nfs/dbraw/zinc/54/09/08/904540908.db2.gz QFUOXQFPVBVUBE-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001270566849 904741204 /nfs/dbraw/zinc/74/12/04/904741204.db2.gz DLYYLCZRSGUMLX-KGLIPLIRSA-N 2 0 267.417 1.246 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001271128979 905743274 /nfs/dbraw/zinc/74/32/74/905743274.db2.gz JVTONEPCQXYOTL-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001482875660 908453452 /nfs/dbraw/zinc/45/34/52/908453452.db2.gz XGIUQNXRPPTQJD-NEPJUHHUSA-N 2 0 275.824 1.564 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001568004929 1169114412 /nfs/dbraw/zinc/11/44/12/1169114412.db2.gz RDLCLYKYBARBIE-UHFFFAOYSA-N 2 0 253.390 1.143 10 30 CDEERP C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484358133 915669625 /nfs/dbraw/zinc/66/96/25/915669625.db2.gz UOZRDRVRQCUZIN-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484358134 915669998 /nfs/dbraw/zinc/66/99/98/915669998.db2.gz UOZRDRVRQCUZIN-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001484652408 915997876 /nfs/dbraw/zinc/99/78/76/915997876.db2.gz BOVVMJJUJZWGPA-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001484744129 916111076 /nfs/dbraw/zinc/11/10/76/916111076.db2.gz SYPULTSYIFIMFI-JKSUJKDBSA-N 2 0 293.455 1.520 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001568223962 1169188916 /nfs/dbraw/zinc/18/89/16/1169188916.db2.gz UWEJRAJZOZKTBU-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001568223959 1169190005 /nfs/dbraw/zinc/19/00/05/1169190005.db2.gz UWEJRAJZOZKTBU-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272866135 919925487 /nfs/dbraw/zinc/92/54/87/919925487.db2.gz RUPGCAQVKKUJTH-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]C(C)C)CC1 ZINC001276399131 936615898 /nfs/dbraw/zinc/61/58/98/936615898.db2.gz INFVMONTSNNEJM-UHFFFAOYSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001568281193 1169221295 /nfs/dbraw/zinc/22/12/95/1169221295.db2.gz LDVSKTHUHCSWHH-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001490931942 936832080 /nfs/dbraw/zinc/83/20/80/936832080.db2.gz JPUGFISSTTXOAZ-BZUAXINKSA-N 2 0 291.439 1.511 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC001142649242 937045849 /nfs/dbraw/zinc/04/58/49/937045849.db2.gz PXWZTOPAFOTQEF-UHFFFAOYSA-N 2 0 275.396 1.699 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001488734947 926670584 /nfs/dbraw/zinc/67/05/84/926670584.db2.gz HFFKQUPEQFFPBW-XUWVNRHRSA-N 2 0 293.455 1.777 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001568455885 1169296410 /nfs/dbraw/zinc/29/64/10/1169296410.db2.gz GAZUTQBEXZQRRI-CQSZACIVSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001490366792 927131124 /nfs/dbraw/zinc/13/11/24/927131124.db2.gz HQSXOAAPBWMXRP-OAHLLOKOSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001490708237 927292635 /nfs/dbraw/zinc/29/26/35/927292635.db2.gz AQUZCKKLWSBVNY-HIFRSBDPSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC001136648795 931224941 /nfs/dbraw/zinc/22/49/41/931224941.db2.gz ZAVNJNLBEZAFQZ-CYBMUJFWSA-N 2 0 255.406 1.197 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001274222235 931242056 /nfs/dbraw/zinc/24/20/56/931242056.db2.gz XSSJKIZOAGLFDH-LSDHHAIUSA-N 2 0 291.439 1.627 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001274362787 931493717 /nfs/dbraw/zinc/49/37/17/931493717.db2.gz HBPVEJYVIVZIHN-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001274578133 931510167 /nfs/dbraw/zinc/51/01/67/931510167.db2.gz FLFAHZYFGDOPAR-IHWYPQMZSA-N 2 0 271.792 1.097 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001274689981 931545302 /nfs/dbraw/zinc/54/53/02/931545302.db2.gz PPBJGZYHHGGSTH-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001274824807 931584716 /nfs/dbraw/zinc/58/47/16/931584716.db2.gz IHHDGVQXDXLBKW-CYBMUJFWSA-N 2 0 265.401 1.285 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001275458767 931805082 /nfs/dbraw/zinc/80/50/82/931805082.db2.gz HQUGWIPWLFJFST-UONOGXRCSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001275927934 932145216 /nfs/dbraw/zinc/14/52/16/932145216.db2.gz BLIKILBJIJPBCD-CQSZACIVSA-N 2 0 283.460 1.977 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001120399329 937797890 /nfs/dbraw/zinc/79/78/90/937797890.db2.gz YSLIHPVDYLSZHX-ZNMIVQPWSA-N 2 0 279.428 1.293 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001122495017 937937102 /nfs/dbraw/zinc/93/71/02/937937102.db2.gz MJVZDVLWYMPDMO-STQMWFEESA-N 2 0 253.390 1.176 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001568669673 1169423100 /nfs/dbraw/zinc/42/31/00/1169423100.db2.gz ULMXPKIETOXAEB-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001276590011 940393334 /nfs/dbraw/zinc/39/33/34/940393334.db2.gz UOARHFWEFQUTBI-HZPDHXFCSA-N 2 0 291.439 1.389 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CCO1 ZINC001330424362 941900142 /nfs/dbraw/zinc/90/01/42/941900142.db2.gz IYFSHZYPMQIOQH-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001282014796 942645184 /nfs/dbraw/zinc/64/51/84/942645184.db2.gz KKORVDFCRZXKJS-UHFFFAOYSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001284025458 943052951 /nfs/dbraw/zinc/05/29/51/943052951.db2.gz KZPXHTSYTWDUEI-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001284068168 943068067 /nfs/dbraw/zinc/06/80/67/943068067.db2.gz DFYUNTVTHVHFBX-NVXWUHKLSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001284059291 943068257 /nfs/dbraw/zinc/06/82/57/943068257.db2.gz WCKVDZJOFDYGBT-IJEWVQPXSA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001284248144 943131955 /nfs/dbraw/zinc/13/19/55/943131955.db2.gz SXPRBGQEDFMYRX-ZIAGYGMSSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001284292986 943139725 /nfs/dbraw/zinc/13/97/25/943139725.db2.gz LNNFRHDBADEIMO-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1(C)C ZINC001284326493 943149696 /nfs/dbraw/zinc/14/96/96/943149696.db2.gz XQLHXUUOHXAUEA-HUUCEWRRSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001284699171 943243887 /nfs/dbraw/zinc/24/38/87/943243887.db2.gz BQKGPGPMADNAOW-ZBFHGGJFSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001277694448 943343417 /nfs/dbraw/zinc/34/34/17/943343417.db2.gz POXCKQRAJQKBKR-HNNXBMFYSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001265682558 944468527 /nfs/dbraw/zinc/46/85/27/944468527.db2.gz UGGKESDTECADHH-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001265994874 944622268 /nfs/dbraw/zinc/62/22/68/944622268.db2.gz PEWMZQBIBSJAHF-HZPDHXFCSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001266011436 944628411 /nfs/dbraw/zinc/62/84/11/944628411.db2.gz WDVBHJLUHIURJL-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001266020248 944636165 /nfs/dbraw/zinc/63/61/65/944636165.db2.gz FYEOFCZJGJFVBY-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001278403117 947622912 /nfs/dbraw/zinc/62/29/12/947622912.db2.gz GOCRRVUNMRZXDT-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001279017704 948603545 /nfs/dbraw/zinc/60/35/45/948603545.db2.gz MYANOEDIAKDVDR-HUUCEWRRSA-N 2 0 288.395 1.123 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001480170963 971612500 /nfs/dbraw/zinc/61/25/00/971612500.db2.gz IBVVTPHHIQVKDX-RBSFLKMASA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001480238290 971641395 /nfs/dbraw/zinc/64/13/95/971641395.db2.gz QUXAFIYFHZZGMA-BETUJISGSA-N 2 0 253.390 1.140 10 30 CDEERP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001480331103 971674964 /nfs/dbraw/zinc/67/49/64/971674964.db2.gz GGZHSKFELYWLQY-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001480410584 971707083 /nfs/dbraw/zinc/70/70/83/971707083.db2.gz OMTMQDBLWYUKAY-UHFFFAOYSA-N 2 0 291.439 1.675 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC001278662872 951222883 /nfs/dbraw/zinc/22/28/83/951222883.db2.gz VHGSUOSCXIAICO-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480486588 971752079 /nfs/dbraw/zinc/75/20/79/971752079.db2.gz OJKZIICUMOSNBJ-CYBMUJFWSA-N 2 0 299.846 1.709 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001316663868 955178299 /nfs/dbraw/zinc/17/82/99/955178299.db2.gz ILPZQCIJAIGUHS-HRCADAONSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001329032531 955641142 /nfs/dbraw/zinc/64/11/42/955641142.db2.gz GLBSGHAEKOIJKB-UONOGXRCSA-N 2 0 279.428 1.367 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001422294924 955923394 /nfs/dbraw/zinc/92/33/94/955923394.db2.gz XLKXNQUSJREVIZ-UHFFFAOYSA-N 2 0 287.835 1.564 10 30 CDEERP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001330230939 956338319 /nfs/dbraw/zinc/33/83/19/956338319.db2.gz UFRIQXCASPMHMP-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@@H+](CCCNC(=O)Cn1ccnc1C)C1CC1 ZINC001316928098 957129731 /nfs/dbraw/zinc/12/97/31/957129731.db2.gz ZIDXWGNHJNYEHZ-UHFFFAOYSA-N 2 0 276.384 1.348 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001317077493 957252425 /nfs/dbraw/zinc/25/24/25/957252425.db2.gz HPCFOVXTMSITRT-KKUMJFAQSA-N 2 0 277.412 1.121 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317153693 957308912 /nfs/dbraw/zinc/30/89/12/957308912.db2.gz GSYUEGAGKIHHPF-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001317277951 957399809 /nfs/dbraw/zinc/39/98/09/957399809.db2.gz WWIWTUMOUWFKQN-CQSZACIVSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001317555851 957552536 /nfs/dbraw/zinc/55/25/36/957552536.db2.gz XJPQCGJJEVPCIQ-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001317598054 957590567 /nfs/dbraw/zinc/59/05/67/957590567.db2.gz FXQKJQNOXMQCCQ-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001317673346 957632671 /nfs/dbraw/zinc/63/26/71/957632671.db2.gz BZBAHIJPBSZZMJ-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001318482648 958126279 /nfs/dbraw/zinc/12/62/79/958126279.db2.gz LADDPZAFGSGICF-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH2+]C ZINC001333237856 958179154 /nfs/dbraw/zinc/17/91/54/958179154.db2.gz SOGBUOPRLYXQNO-MNOVXSKESA-N 2 0 259.781 1.057 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001318851539 958281150 /nfs/dbraw/zinc/28/11/50/958281150.db2.gz RURWYGWOEDINAV-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001319593732 958643585 /nfs/dbraw/zinc/64/35/85/958643585.db2.gz QMKHXYMQPYFHDK-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001319594973 958646602 /nfs/dbraw/zinc/64/66/02/958646602.db2.gz XUSGAYFHKACERH-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001319594977 958646838 /nfs/dbraw/zinc/64/68/38/958646838.db2.gz XUSGAYFHKACERH-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320548173 959232571 /nfs/dbraw/zinc/23/25/71/959232571.db2.gz JPANIHGVKFFCJP-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001320781794 959388080 /nfs/dbraw/zinc/38/80/80/959388080.db2.gz LTIRKYPSSSQETR-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001321419334 959776750 /nfs/dbraw/zinc/77/67/50/959776750.db2.gz OVTLZHRWCWTMPA-XHPSBEMXSA-N 2 0 279.428 1.699 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001322197105 960130145 /nfs/dbraw/zinc/13/01/45/960130145.db2.gz QMMUABXNSDUTDF-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC001342017232 963611522 /nfs/dbraw/zinc/61/15/22/963611522.db2.gz ZANOEXHPBYCGCH-STQMWFEESA-N 2 0 265.401 1.461 10 30 CDEERP C=C(C[NH+](C)C)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001465212947 969854604 /nfs/dbraw/zinc/85/46/04/969854604.db2.gz FQSFVYRIJINOCU-UHFFFAOYSA-N 2 0 271.324 1.324 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001467728547 970097211 /nfs/dbraw/zinc/09/72/11/970097211.db2.gz KVKAGJYJDPBVFP-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001495593219 972547178 /nfs/dbraw/zinc/54/71/78/972547178.db2.gz SMLKZRDVWHNYEK-OAHLLOKOSA-N 2 0 277.412 1.076 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001496603482 972985928 /nfs/dbraw/zinc/98/59/28/972985928.db2.gz SGORHQJWTSABSQ-KGLIPLIRSA-N 2 0 267.417 1.245 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497255393 973264456 /nfs/dbraw/zinc/26/44/56/973264456.db2.gz LZETYVXTDSPMIX-KKUMJFAQSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001497264793 973266878 /nfs/dbraw/zinc/26/68/78/973266878.db2.gz SZVCIVGZJMZSHT-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001498858684 974081558 /nfs/dbraw/zinc/08/15/58/974081558.db2.gz NKEJARNXXQWEBM-CQSZACIVSA-N 2 0 277.412 1.143 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001505725082 974974701 /nfs/dbraw/zinc/97/47/01/974974701.db2.gz OYFZRFRBMARPAF-LSDHHAIUSA-N 2 0 293.455 1.613 10 30 CDEERP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001505920697 975044726 /nfs/dbraw/zinc/04/47/26/975044726.db2.gz RSLMMJVCVKWEAW-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001506859380 975238113 /nfs/dbraw/zinc/23/81/13/975238113.db2.gz UMNQLHPACPNAQA-HRCADAONSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001507079822 975328177 /nfs/dbraw/zinc/32/81/77/975328177.db2.gz OWUDMNHJGOQBQO-YNEHKIRRSA-N 2 0 287.835 1.516 10 30 CDEERP C=CCCC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001508141141 975622972 /nfs/dbraw/zinc/62/29/72/975622972.db2.gz OMCNTRKINGYWAP-FHERZECASA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001380262112 976317126 /nfs/dbraw/zinc/31/71/26/976317126.db2.gz FFQCRGMMDDEHAQ-HZSPNIEDSA-N 2 0 299.846 1.660 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001399226028 976388746 /nfs/dbraw/zinc/38/87/46/976388746.db2.gz HZRJRFXOGUVZQN-KGLIPLIRSA-N 2 0 299.846 1.661 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001492974770 976940875 /nfs/dbraw/zinc/94/08/75/976940875.db2.gz QXHMPVOYWFNWNG-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001674496341 1173954281 /nfs/dbraw/zinc/95/42/81/1173954281.db2.gz WTSLMGAISQNDEY-CABCVRRESA-N 2 0 279.428 1.129 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001674723535 1173998615 /nfs/dbraw/zinc/99/86/15/1173998615.db2.gz ZKSPCQDBANAOPW-OLZOCXBDSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001570108260 1170081749 /nfs/dbraw/zinc/08/17/49/1170081749.db2.gz PPDIHVZKEJGTRD-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001571157409 1170342271 /nfs/dbraw/zinc/34/22/71/1170342271.db2.gz OYZFCMZKCDPBNB-SHTZXODSSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001571370895 1170388887 /nfs/dbraw/zinc/38/88/87/1170388887.db2.gz FOVPELJZAKROCJ-CABCVRRESA-N 2 0 279.428 1.032 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001571386475 1170403000 /nfs/dbraw/zinc/40/30/00/1170403000.db2.gz BJJYGOYWIAGUKF-HNNXBMFYSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001653609300 1171553668 /nfs/dbraw/zinc/55/36/68/1171553668.db2.gz ONQQARIPZDXIMC-HZPDHXFCSA-N 2 0 293.455 1.826 10 30 CDEERP C[NH2+]CCC1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594439114 342906627 /nfs/dbraw/zinc/90/66/27/342906627.db2.gz OIVDKFRCSJYCEP-AWEZNQCLSA-N 2 0 280.416 1.246 10 30 CDEERP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C[NH+]1CCCC1 ZINC000594441679 342907365 /nfs/dbraw/zinc/90/73/65/342907365.db2.gz URVRITFLLVAQAK-KBPBESRZSA-N 2 0 280.416 1.246 10 30 CDEERP N#CC1(C[C@@H](O)C[NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000600738936 342246645 /nfs/dbraw/zinc/24/66/45/342246645.db2.gz MPXXHIFDXNANLT-OAHLLOKOSA-N 2 0 279.428 1.897 10 30 CDEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc(C#N)cs1 ZINC000594966476 342990749 /nfs/dbraw/zinc/99/07/49/342990749.db2.gz SFJROHNWYFMDEI-ZDUSSCGKSA-N 2 0 294.468 1.981 10 30 CDEERP N#Cc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)o1 ZINC000600769295 349879255 /nfs/dbraw/zinc/87/92/55/349879255.db2.gz LRMGFGQCUZQSRJ-UHFFFAOYSA-N 2 0 288.395 1.457 10 30 CDEERP C=CCN(CC=C)C(=O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584327 363043208 /nfs/dbraw/zinc/04/32/08/363043208.db2.gz OTPZGDVRIZDNSA-IYBDPMFKSA-N 2 0 277.412 1.118 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001660632938 1172246183 /nfs/dbraw/zinc/24/61/83/1172246183.db2.gz XMXCRSFJPXZWJE-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001660753788 1172270329 /nfs/dbraw/zinc/27/03/29/1172270329.db2.gz YUPZGOQUZQTZMS-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528391867 361273350 /nfs/dbraw/zinc/27/33/50/361273350.db2.gz FTWKMNYSHOZMKO-GJZGRUSLSA-N 2 0 279.428 1.705 10 30 CDEERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CC3)CC[C@@H]21 ZINC000528408259 367830655 /nfs/dbraw/zinc/83/06/55/367830655.db2.gz SSIBXYVREXJESR-KFWWJZLASA-N 2 0 277.412 1.457 10 30 CDEERP C[NH+](C)CCOCC[NH2+]Cc1ccc(C#N)cc1F ZINC000231675934 140217045 /nfs/dbraw/zinc/21/70/45/140217045.db2.gz OPXVZWYVYFQWML-UHFFFAOYSA-N 2 0 265.332 1.365 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000662690639 413318505 /nfs/dbraw/zinc/31/85/05/413318505.db2.gz CGHSXKNHPITEPV-GOEBONIOSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001664997403 1172929452 /nfs/dbraw/zinc/92/94/52/1172929452.db2.gz UYDLJMNZGGCMHL-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCC[NH2+]1 ZINC000662759260 413443911 /nfs/dbraw/zinc/44/39/11/413443911.db2.gz BUBKATSUYRVXGX-WBVHZDCISA-N 2 0 291.439 1.675 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662845551 413597711 /nfs/dbraw/zinc/59/77/11/413597711.db2.gz JKNFAPMMFPPJOU-PBHICJAKSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663506838 414309301 /nfs/dbraw/zinc/30/93/01/414309301.db2.gz VLABNDJOGPLWMQ-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP CC(C)[NH+](CC#CC[N@@H+](C[C@@H](C)O)C(C)C)C[C@H](C)O ZINC000341879202 263362054 /nfs/dbraw/zinc/36/20/54/263362054.db2.gz AYJBABXMEFLPLF-IYBDPMFKSA-N 2 0 284.444 1.172 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001666920831 1173207783 /nfs/dbraw/zinc/20/77/83/1173207783.db2.gz KSBQQSDVUUNFNY-GFCCVEGCSA-N 2 0 253.390 1.093 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001666933589 1173208491 /nfs/dbraw/zinc/20/84/91/1173208491.db2.gz ULQLPYTVDUKOJN-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001667111742 1173236399 /nfs/dbraw/zinc/23/63/99/1173236399.db2.gz GHDOYMNATTZKIQ-HUUCEWRRSA-N 2 0 281.444 1.635 10 30 CDEERP N#Cc1ccc(OCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000566482065 316611822 /nfs/dbraw/zinc/61/18/22/316611822.db2.gz MGAFBPAWRLKLRQ-KGLIPLIRSA-N 2 0 259.353 1.797 10 30 CDEERP C#CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001672306213 1173765254 /nfs/dbraw/zinc/76/52/54/1173765254.db2.gz UPMJBYQQTPWATO-HOCLYGCPSA-N 2 0 291.439 1.036 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000171711285 329078977 /nfs/dbraw/zinc/07/89/77/329078977.db2.gz OSMSLGLNZGVIJR-CQSZACIVSA-N 2 0 296.459 1.666 10 30 CDEERP C[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262502066 330018118 /nfs/dbraw/zinc/01/81/18/330018118.db2.gz KSQOMBFSKYASJQ-GXTWGEPZSA-N 2 0 288.395 1.509 10 30 CDEERP CC1(C)OCC[C@@H]1[NH2+]CC#CC[NH2+][C@H]1CCOC1(C)C ZINC000451241007 331021508 /nfs/dbraw/zinc/02/15/08/331021508.db2.gz JJZQBKNZIPFAKX-KBPBESRZSA-N 2 0 280.412 1.304 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267593553 1159496226 /nfs/dbraw/zinc/49/62/26/1159496226.db2.gz NGQLFJMHAKNWEL-OAHLLOKOSA-N 2 0 291.439 1.439 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732210384 1159751422 /nfs/dbraw/zinc/75/14/22/1159751422.db2.gz GLRGBEHCPGOOAH-CJNGLKHVSA-N 2 0 297.418 1.317 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001270721355 1160139639 /nfs/dbraw/zinc/13/96/39/1160139639.db2.gz XAERRJLLRXLVMD-CYBMUJFWSA-N 2 0 265.401 1.285 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001691533798 1160584279 /nfs/dbraw/zinc/58/42/79/1160584279.db2.gz HAIZEXZISGNWSM-MGPQQGTHSA-N 2 0 267.417 1.243 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482816697 1160637605 /nfs/dbraw/zinc/63/76/05/1160637605.db2.gz JAFBEORDDFOQNV-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001712946880 1178258343 /nfs/dbraw/zinc/25/83/43/1178258343.db2.gz GFGNMGNLDQQOKP-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001731703809 1182524038 /nfs/dbraw/zinc/52/40/38/1182524038.db2.gz QSYQQFBWHWVUFZ-LSDHHAIUSA-N 2 0 281.444 1.920 10 30 CDEERP CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000049232191 519814470 /nfs/dbraw/zinc/81/44/70/519814470.db2.gz HTYMYSKCAHNYOV-INIZCTEOSA-N 2 0 287.407 1.313 10 30 CDEERP CCC[NH+]1CCN(Cc2ccccc2C#CC[NH3+])CC1 ZINC000049608701 519858926 /nfs/dbraw/zinc/85/89/26/519858926.db2.gz MFTOQXDNATXUSG-UHFFFAOYSA-N 2 0 271.408 1.524 10 30 CDEERP CCCC[N@H+](CCO)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609644 520522355 /nfs/dbraw/zinc/52/23/55/520522355.db2.gz XNXLOZLTBQRZBL-UHFFFAOYSA-N 2 0 260.381 1.591 10 30 CDEERP CC[N@H+](CCOC)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049609719 521136209 /nfs/dbraw/zinc/13/62/09/521136209.db2.gz MVLWCMTZPIJMGX-UHFFFAOYSA-N 2 0 276.380 1.474 10 30 CDEERP C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc(C#CC[NH3+])c1 ZINC000061655674 521865908 /nfs/dbraw/zinc/86/59/08/521865908.db2.gz ZREPALURGTVSOA-MRXNPFEDSA-N 2 0 285.391 1.163 10 30 CDEERP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#CC[NH3+])cc1 ZINC000049609837 523343085 /nfs/dbraw/zinc/34/30/85/523343085.db2.gz NTTIABHGYVEOGJ-YOEHRIQHSA-N 2 0 272.392 1.996 10 30 CDEERP C[N@@H+](Cc1ccccc1C#CC[NH3+])C[C@H]1CCCCO1 ZINC000049609522 523360506 /nfs/dbraw/zinc/36/05/06/523360506.db2.gz YBAZDOAYQMAPMV-QGZVFWFLSA-N 2 0 272.392 1.998 10 30 CDEERP [NH3+]CC#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000049608334 527147438 /nfs/dbraw/zinc/14/74/38/527147438.db2.gz KPWNSWMCFVPVMN-ZDUSSCGKSA-N 2 0 276.355 1.340 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001691757981 1174454771 /nfs/dbraw/zinc/45/47/71/1174454771.db2.gz PIYUOSIHURFVJH-IYBDPMFKSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000900681297 623368315 /nfs/dbraw/zinc/36/83/15/623368315.db2.gz KFGIBMDQZCUTKL-UHFFFAOYSA-N 2 0 297.443 1.064 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000900959390 623728181 /nfs/dbraw/zinc/72/81/81/623728181.db2.gz XMBWDKVEXOKWFF-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000901284499 624110383 /nfs/dbraw/zinc/11/03/83/624110383.db2.gz FBIHNLRBJGKPOB-UHFFFAOYSA-N 2 0 279.428 1.581 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000907519327 627712225 /nfs/dbraw/zinc/71/22/25/627712225.db2.gz MMDDXVXHQFHZGK-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP CN(CCC[NH+](C)C)CCNC(=O)c1ccsc1C#N ZINC000912386991 629957325 /nfs/dbraw/zinc/95/73/25/629957325.db2.gz MNQFPOMREJHSMP-UHFFFAOYSA-N 2 0 294.424 1.233 10 30 CDEERP COCC[N@@H+]1CCC[C@H]1CNC(NC(C)(C)C)=[NH+]C1CC1 ZINC000912507072 630048137 /nfs/dbraw/zinc/04/81/37/630048137.db2.gz UQDAJDBIJZARQY-AWEZNQCLSA-N 2 0 296.459 1.593 10 30 CDEERP C=CCCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001691026102 1158600180 /nfs/dbraw/zinc/60/01/80/1158600180.db2.gz RLDKMEXIUTXNQJ-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001283261723 1158980249 /nfs/dbraw/zinc/98/02/49/1158980249.db2.gz SBUHDVLKPJDLIK-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)CCC ZINC001691410658 1159061508 /nfs/dbraw/zinc/06/15/08/1159061508.db2.gz RMYRVDMYNHUQFP-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001502796848 1160355042 /nfs/dbraw/zinc/35/50/42/1160355042.db2.gz ABPZBAUCDZXUHE-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC001618782672 1165643345 /nfs/dbraw/zinc/64/33/45/1165643345.db2.gz QJGRYDRAHLLSPM-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000876835754 1165926184 /nfs/dbraw/zinc/92/61/84/1165926184.db2.gz BHYNQSBZDVPGRT-AWEZNQCLSA-N 2 0 295.814 1.834 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000877159815 1165986819 /nfs/dbraw/zinc/98/68/19/1165986819.db2.gz MCJXJBXLTLOVOB-ZIAGYGMSSA-N 2 0 295.814 1.533 10 30 CDEERP C[NH+](C)CC#CCNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC001565237823 1168145232 /nfs/dbraw/zinc/14/52/32/1168145232.db2.gz FOOURKQEWVZMJD-UHFFFAOYSA-N 2 0 294.443 1.114 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568172090 1169160712 /nfs/dbraw/zinc/16/07/12/1169160712.db2.gz NQUTWPUMKFQWLX-HOCLYGCPSA-N 2 0 293.455 1.636 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001568246361 1169196120 /nfs/dbraw/zinc/19/61/20/1169196120.db2.gz GWQHCSDTEMTDMH-UHFFFAOYSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568300477 1169232102 /nfs/dbraw/zinc/23/21/02/1169232102.db2.gz RQQIECWUHVJPAX-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568998001 1169586098 /nfs/dbraw/zinc/58/60/98/1169586098.db2.gz RNJIIGSJHPUGGR-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001571129443 1170338801 /nfs/dbraw/zinc/33/88/01/1170338801.db2.gz HVSHMLZHSNJNDV-KLHDSHLOSA-N 2 0 289.423 1.121 10 30 CDEERP C#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)C ZINC001656650479 1171856510 /nfs/dbraw/zinc/85/65/10/1171856510.db2.gz GEMBHVXFASQJAJ-VNQPRFMTSA-N 2 0 291.439 1.177 10 30 CDEERP C#CC[N@@H+](CC1CC[NH+](CC)CC1)C1CSC1 ZINC001659870872 1172141866 /nfs/dbraw/zinc/14/18/66/1172141866.db2.gz ZLFNMEDEJMNQRY-UHFFFAOYSA-N 2 0 252.427 1.769 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001660826247 1172284227 /nfs/dbraw/zinc/28/42/27/1172284227.db2.gz HWKIKHKPMMHRTJ-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001661227365 1172356569 /nfs/dbraw/zinc/35/65/69/1172356569.db2.gz WFLROUAHZBARSZ-HOTGVXAUSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001661832934 1172452724 /nfs/dbraw/zinc/45/27/24/1172452724.db2.gz RXNOQWHXUOBNCV-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001661946638 1172470701 /nfs/dbraw/zinc/47/07/01/1172470701.db2.gz KMGTYJBCFHCPBO-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001662335550 1172532402 /nfs/dbraw/zinc/53/24/02/1172532402.db2.gz ZYKKVYFDZLEJGB-ZDUSSCGKSA-N 2 0 267.417 1.082 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001662646245 1172574981 /nfs/dbraw/zinc/57/49/81/1172574981.db2.gz PFQKAQMAALVGFE-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001662722498 1172587115 /nfs/dbraw/zinc/58/71/15/1172587115.db2.gz MZJXPVGYZHGGLV-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH+]1CCC(NC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001586803117 1172959451 /nfs/dbraw/zinc/95/94/51/1172959451.db2.gz XQEWKBCQBOKDMH-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]CCC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001666256185 1173121794 /nfs/dbraw/zinc/12/17/94/1173121794.db2.gz DONHHKZQEVIDQM-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001667762451 1173323538 /nfs/dbraw/zinc/32/35/38/1173323538.db2.gz AWIUFOITMUWJRQ-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001668884245 1173476492 /nfs/dbraw/zinc/47/64/92/1173476492.db2.gz YVCHKSHYOCYILF-ARJAWSKDSA-N 2 0 277.412 1.310 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001669595675 1173573920 /nfs/dbraw/zinc/57/39/20/1173573920.db2.gz OEHVFGXIBPKJIP-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001672915193 1173808365 /nfs/dbraw/zinc/80/83/65/1173808365.db2.gz FZEDBQSODXYONX-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001673958793 1173902464 /nfs/dbraw/zinc/90/24/64/1173902464.db2.gz KQXWNIJUERXDHC-CQSZACIVSA-N 2 0 299.434 1.823 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001674694170 1173990561 /nfs/dbraw/zinc/99/05/61/1173990561.db2.gz QSYAWZVICDJELQ-STQMWFEESA-N 2 0 265.401 1.284 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001676368851 1174216034 /nfs/dbraw/zinc/21/60/34/1174216034.db2.gz LZVSSCLUAIFUBU-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001676766470 1174270364 /nfs/dbraw/zinc/27/03/64/1174270364.db2.gz DWLDTSBVFNCBPM-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001689298461 1175141012 /nfs/dbraw/zinc/14/10/12/1175141012.db2.gz DINZMZDMVBYFIX-ILXRZTDVSA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001690501584 1175483241 /nfs/dbraw/zinc/48/32/41/1175483241.db2.gz NAJUEPKGNJDTEZ-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C/C=C/Cl)CC1 ZINC001690650562 1175537051 /nfs/dbraw/zinc/53/70/51/1175537051.db2.gz MSGKSGWIOFMOAA-LVDDQXARSA-N 2 0 297.830 1.178 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001690788597 1175572618 /nfs/dbraw/zinc/57/26/18/1175572618.db2.gz STSWAEDDPTZBIR-GJZGRUSLSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001690821370 1175580323 /nfs/dbraw/zinc/58/03/23/1175580323.db2.gz VEVCEGUDFYOJGW-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001692195480 1175698193 /nfs/dbraw/zinc/69/81/93/1175698193.db2.gz LCVVPRLUQRVTCY-XJKSGUPXSA-N 2 0 291.439 1.483 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001698615786 1175873961 /nfs/dbraw/zinc/87/39/61/1175873961.db2.gz HAVBDHALYKFXDX-MRXNPFEDSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698951278 1175993520 /nfs/dbraw/zinc/99/35/20/1175993520.db2.gz YIMUHHFXYNPMHB-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699141192 1176110385 /nfs/dbraw/zinc/11/03/85/1176110385.db2.gz SFDYBLNTFXXAOZ-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001699450911 1176413871 /nfs/dbraw/zinc/41/38/71/1176413871.db2.gz NLHDZXCCDGUWRI-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001699454576 1176420214 /nfs/dbraw/zinc/42/02/14/1176420214.db2.gz JFXSVHQWQPKEQC-HNNXBMFYSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001699666179 1176558524 /nfs/dbraw/zinc/55/85/24/1176558524.db2.gz PEZFDIVUTDKXEW-KGLIPLIRSA-N 2 0 277.412 1.428 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001699970008 1176702067 /nfs/dbraw/zinc/70/20/67/1176702067.db2.gz NTLFAOSHANUZRN-CABCVRRESA-N 2 0 281.444 1.587 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001700358729 1176872053 /nfs/dbraw/zinc/87/20/53/1176872053.db2.gz YZFWHIYNJCRKRL-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001700407947 1176911104 /nfs/dbraw/zinc/91/11/04/1176911104.db2.gz GCAVHOJVGCECLG-LSDHHAIUSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC2CC2)CC1 ZINC001700430085 1176926901 /nfs/dbraw/zinc/92/69/01/1176926901.db2.gz KHQAFOWUNJVQCH-ZIAGYGMSSA-N 2 0 291.439 1.224 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001700633608 1177046275 /nfs/dbraw/zinc/04/62/75/1177046275.db2.gz GQTVJHLRVQHCGN-HDJSIYSDSA-N 2 0 277.412 1.285 10 30 CDEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001700684722 1177073501 /nfs/dbraw/zinc/07/35/01/1177073501.db2.gz YUOQVDYBHYRVJA-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001700997121 1177232042 /nfs/dbraw/zinc/23/20/42/1177232042.db2.gz AJDQHHVIEOBXSU-KBPBESRZSA-N 2 0 281.444 1.635 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001707053083 1177927931 /nfs/dbraw/zinc/92/79/31/1177927931.db2.gz HGVUMEIAGZNMGM-MRXNPFEDSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)CC[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001712982124 1178285687 /nfs/dbraw/zinc/28/56/87/1178285687.db2.gz FWTHCONEPMACMH-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001713253068 1178455397 /nfs/dbraw/zinc/45/53/97/1178455397.db2.gz MABZIVVBAYJWLF-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001713339217 1178507916 /nfs/dbraw/zinc/50/79/16/1178507916.db2.gz DGKOZJQBYKWHHK-HNNXBMFYSA-N 2 0 281.444 1.923 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713735190 1178729232 /nfs/dbraw/zinc/72/92/32/1178729232.db2.gz OZDLHEAETHTHLS-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001713879447 1178810509 /nfs/dbraw/zinc/81/05/09/1178810509.db2.gz BFGNCKYQZMBOOL-MRXNPFEDSA-N 2 0 291.439 1.224 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713968084 1178899091 /nfs/dbraw/zinc/89/90/91/1178899091.db2.gz CDQQNMIECUMOPY-JYJNAYRXSA-N 2 0 291.439 1.367 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713987062 1178911517 /nfs/dbraw/zinc/91/15/17/1178911517.db2.gz BRZJKKSRRLIPIA-ZVDSWSACSA-N 2 0 293.455 1.918 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001714079300 1178963476 /nfs/dbraw/zinc/96/34/76/1178963476.db2.gz HYGMZAKQZGMNIX-XHSDSOJGSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001714157347 1178994742 /nfs/dbraw/zinc/99/47/42/1178994742.db2.gz RXERXOREKWPBTL-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)CCC)CCCC[C@@H]1C ZINC001714189012 1179008392 /nfs/dbraw/zinc/00/83/92/1179008392.db2.gz ZOXOYMXMLZNHDT-DOTOQJQBSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001714623146 1179274345 /nfs/dbraw/zinc/27/43/45/1179274345.db2.gz VXOAIHDGIYPJSD-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001715031233 1179518655 /nfs/dbraw/zinc/51/86/55/1179518655.db2.gz JSDCHPSZLZMASM-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001716030231 1180005489 /nfs/dbraw/zinc/00/54/89/1180005489.db2.gz NVXRJMHSPCRYOA-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716478224 1180241594 /nfs/dbraw/zinc/24/15/94/1180241594.db2.gz OXWRMIQJIAVRIN-OAHLLOKOSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001716497611 1180254474 /nfs/dbraw/zinc/25/44/74/1180254474.db2.gz MQZHAZHMCQRIQI-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[NH2+]C1(CC)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001717240210 1180586885 /nfs/dbraw/zinc/58/68/85/1180586885.db2.gz NZKSVDWBECLICS-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001717415638 1180660646 /nfs/dbraw/zinc/66/06/46/1180660646.db2.gz LVDXQYNFYSMAJY-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717693919 1180793197 /nfs/dbraw/zinc/79/31/97/1180793197.db2.gz AUMIXQTUKVGJCT-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001717739748 1180819538 /nfs/dbraw/zinc/81/95/38/1180819538.db2.gz ZTCVZMFNQDKWDR-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)CC[N@@H+](C)CCC ZINC001717749838 1180830065 /nfs/dbraw/zinc/83/00/65/1180830065.db2.gz AWEYOVWCPCTDLF-CQSZACIVSA-N 2 0 267.417 1.178 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001717906750 1180921574 /nfs/dbraw/zinc/92/15/74/1180921574.db2.gz ZXHTWUFIUZSABF-AWEZNQCLSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001717972239 1180952937 /nfs/dbraw/zinc/95/29/37/1180952937.db2.gz CHEIXXUKSZCMAV-KGLIPLIRSA-N 2 0 281.444 1.635 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001717994211 1180961907 /nfs/dbraw/zinc/96/19/07/1180961907.db2.gz WCDPHDUKTZLXBL-YMAMQOFZSA-N 2 0 277.412 1.073 10 30 CDEERP C#CC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001718033210 1180977138 /nfs/dbraw/zinc/97/71/38/1180977138.db2.gz BZMVTZLMKBVNLD-HUUCEWRRSA-N 2 0 289.423 1.241 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001723023630 1181511179 /nfs/dbraw/zinc/51/11/79/1181511179.db2.gz TUVGUVRSBNYHDD-CQSZACIVSA-N 2 0 299.846 1.519 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001724076671 1181633754 /nfs/dbraw/zinc/63/37/54/1181633754.db2.gz JCMFGWQXJMLYSY-CVEARBPZSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[N@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001724174392 1181647638 /nfs/dbraw/zinc/64/76/38/1181647638.db2.gz HVYHLMSJXVALIN-INIZCTEOSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001724754747 1181741106 /nfs/dbraw/zinc/74/11/06/1181741106.db2.gz MPOWGQMCWPPLAM-WKILWMFISA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001724836874 1181770906 /nfs/dbraw/zinc/77/09/06/1181770906.db2.gz JMALYWCCCZLSQX-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001725122626 1181872733 /nfs/dbraw/zinc/87/27/33/1181872733.db2.gz WMGVCOICHQDMQZ-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001725427310 1181995393 /nfs/dbraw/zinc/99/53/93/1181995393.db2.gz MYXZIDNCIWPUSU-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001731436631 1182383695 /nfs/dbraw/zinc/38/36/95/1182383695.db2.gz FDOAQAZEUPOVHW-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001731694891 1182521050 /nfs/dbraw/zinc/52/10/50/1182521050.db2.gz NHXHUBCKNMPBJI-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001731833600 1182616442 /nfs/dbraw/zinc/61/64/42/1182616442.db2.gz HRZLBPFWJUXKSD-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001731862091 1182633748 /nfs/dbraw/zinc/63/37/48/1182633748.db2.gz YMPSRZHEQVDWBL-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732344407 1182918370 /nfs/dbraw/zinc/91/83/70/1182918370.db2.gz WJNMDEFLOJYSQI-KBPBESRZSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001732519167 1182994667 /nfs/dbraw/zinc/99/46/67/1182994667.db2.gz SOWOOWZFMYGZAB-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001732748627 1183107196 /nfs/dbraw/zinc/10/71/96/1183107196.db2.gz ZNSKPIANOATGFY-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001732752274 1183108328 /nfs/dbraw/zinc/10/83/28/1183108328.db2.gz BLADNDAOWGXMSE-AWEZNQCLSA-N 2 0 267.417 1.533 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001733006564 1183233347 /nfs/dbraw/zinc/23/33/47/1183233347.db2.gz GDAQQCPRSWRCDY-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001733184619 1183321589 /nfs/dbraw/zinc/32/15/89/1183321589.db2.gz MHTKVEOMXXHHFH-INIZCTEOSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001733191479 1183324707 /nfs/dbraw/zinc/32/47/07/1183324707.db2.gz XWUOTGAHLIIMTR-OAHLLOKOSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001733452695 1183436062 /nfs/dbraw/zinc/43/60/62/1183436062.db2.gz VEODGJPCSDLDRH-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[N@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001733460981 1183438549 /nfs/dbraw/zinc/43/85/49/1183438549.db2.gz RIZWZWXSOODYJE-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001733578806 1183470597 /nfs/dbraw/zinc/47/05/97/1183470597.db2.gz AGBOUFRQRVGKTI-IYBDPMFKSA-N 2 0 291.439 1.132 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001733940311 1183576484 /nfs/dbraw/zinc/57/64/84/1183576484.db2.gz VICWXIBVWSLTHF-OAHLLOKOSA-N 2 0 279.428 1.581 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001733981614 1183600196 /nfs/dbraw/zinc/60/01/96/1183600196.db2.gz ZTXQPCJYPKQJIW-UONOGXRCSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001733998782 1183609184 /nfs/dbraw/zinc/60/91/84/1183609184.db2.gz DUQYUDBRDINLIE-KGLIPLIRSA-N 2 0 267.417 1.224 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001734021532 1183616940 /nfs/dbraw/zinc/61/69/40/1183616940.db2.gz CFKIRXNEUZFLDG-UHFFFAOYSA-N 2 0 293.455 1.426 10 30 CDEERP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001734037864 1183627568 /nfs/dbraw/zinc/62/75/68/1183627568.db2.gz JDFFUJJTFLIGKA-RBSFLKMASA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001734250033 1183703872 /nfs/dbraw/zinc/70/38/72/1183703872.db2.gz CXMLCJDVZRKZIQ-CQSZACIVSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001734474521 1183793282 /nfs/dbraw/zinc/79/32/82/1183793282.db2.gz HSFDGOZVYWUFBZ-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000852858220 790301076 /nfs/dbraw/zinc/30/10/76/790301076.db2.gz VDNLSMJDBQQSFA-UHFFFAOYSA-N 2 0 289.423 1.076 10 30 CDEERP Cc1ccc(C[NH+](C)C)cc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852870506 790927239 /nfs/dbraw/zinc/92/72/39/790927239.db2.gz VJBDCJLDCMHNJI-UHFFFAOYSA-N 2 0 299.418 1.998 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000876927934 790980037 /nfs/dbraw/zinc/98/00/37/790980037.db2.gz PBLVDOIQCCKXAD-IELRGYKMSA-N 2 0 273.808 1.288 10 30 CDEERP C=CCOCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880257929 789935926 /nfs/dbraw/zinc/93/59/26/789935926.db2.gz BEAIGXDTXIXSRL-AWEZNQCLSA-N 2 0 261.369 1.795 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@H+](CC)[C@@H](C)C2)CC1 ZINC000880608865 791159957 /nfs/dbraw/zinc/15/99/57/791159957.db2.gz MNEQHBLDYXUIBK-GASCZTMLSA-N 2 0 291.439 1.273 10 30 CDEERP CCCCCCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710608 791180112 /nfs/dbraw/zinc/18/01/12/791180112.db2.gz ZUBNFKGCNXDUPJ-KFWWJZLASA-N 2 0 295.427 1.824 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877151190 791723086 /nfs/dbraw/zinc/72/30/86/791723086.db2.gz HMMGFROILZMXNK-MNOVXSKESA-N 2 0 273.808 1.351 10 30 CDEERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000870989103 793413854 /nfs/dbraw/zinc/41/38/54/793413854.db2.gz FDXOJNMTPSJZSP-XJKSGUPXSA-N 2 0 294.443 1.621 10 30 CDEERP C[NH+]1CCC2(CC1)CC[NH+](C[C@H](O)CC#N)CC2 ZINC000931467907 793609586 /nfs/dbraw/zinc/60/95/86/793609586.db2.gz PHZYAFUEFDTAHJ-CYBMUJFWSA-N 2 0 251.374 1.069 10 30 CDEERP C[C@H]1CCCN(C(=[NH2+])NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000261980808 793665211 /nfs/dbraw/zinc/66/52/11/793665211.db2.gz HYZMHQOMWIBXHL-KBPBESRZSA-N 2 0 266.433 1.907 10 30 CDEERP C#CCCCCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879594270 794068423 /nfs/dbraw/zinc/06/84/23/794068423.db2.gz CXQRLSTXAOLKIS-UHFFFAOYSA-N 2 0 277.456 1.892 10 30 CDEERP C#CC[C@H]1CC[N@@H+](Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000862444916 795098096 /nfs/dbraw/zinc/09/80/96/795098096.db2.gz IWBGZRMEEBHYDS-HNNXBMFYSA-N 2 0 299.422 1.074 10 30 CDEERP N#Cc1ccc([C@H](O)CN[C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000923428913 795544142 /nfs/dbraw/zinc/54/41/42/795544142.db2.gz SFEACEDWRHOQSL-CVEARBPZSA-N 2 0 285.391 1.856 10 30 CDEERP C=CCOCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880257930 795752778 /nfs/dbraw/zinc/75/27/78/795752778.db2.gz BEAIGXDTXIXSRL-CQSZACIVSA-N 2 0 261.369 1.795 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000876772509 795785537 /nfs/dbraw/zinc/78/55/37/795785537.db2.gz OKIIAXVESUJSPS-WXHSDQCUSA-N 2 0 287.835 1.645 10 30 CDEERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852898666 795795170 /nfs/dbraw/zinc/79/51/70/795795170.db2.gz NQBJWDTWHGTKCO-HNNXBMFYSA-N 2 0 291.439 1.226 10 30 CDEERP CC[NH+](CC)C1CCN(C(=O)NCC#CC[NH+](C)C)CC1 ZINC001639131039 1166901931 /nfs/dbraw/zinc/90/19/31/1166901931.db2.gz XFIQLTHJSFFIEB-UHFFFAOYSA-N 2 0 294.443 1.067 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001570543491 1167576936 /nfs/dbraw/zinc/57/69/36/1167576936.db2.gz JIBNHKPPFYOQJM-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001566929429 1168470163 /nfs/dbraw/zinc/47/01/63/1168470163.db2.gz ZZMPIAXPZXWBHR-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001567128529 1168580805 /nfs/dbraw/zinc/58/08/05/1168580805.db2.gz PCOQNVJORVFWDB-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567167409 1168604398 /nfs/dbraw/zinc/60/43/98/1168604398.db2.gz OHKXTFQDLCBULO-LSDHHAIUSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001122096731 913438480 /nfs/dbraw/zinc/43/84/80/913438480.db2.gz URZXBXKAEDFIFG-CQSZACIVSA-N 2 0 289.379 1.791 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001567432494 1168755580 /nfs/dbraw/zinc/75/55/80/1168755580.db2.gz GFKJFQSONKJMPA-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001266963658 896454326 /nfs/dbraw/zinc/45/43/26/896454326.db2.gz BXDHMNRHTQXFCY-ZBFHGGJFSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001480923155 897079534 /nfs/dbraw/zinc/07/95/34/897079534.db2.gz MVMXLDJFPKLODW-KGLIPLIRSA-N 2 0 265.401 1.237 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001267196132 897110841 /nfs/dbraw/zinc/11/08/41/897110841.db2.gz ASEBDZKARYZWGC-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001267257445 897358653 /nfs/dbraw/zinc/35/86/53/897358653.db2.gz WHHSYEAWNKKBKA-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH+]1CC[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267567429 898389866 /nfs/dbraw/zinc/38/98/66/898389866.db2.gz CEKLNTHEYTYBJR-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267681014 899265427 /nfs/dbraw/zinc/26/54/27/899265427.db2.gz FPMSMDZCDOQCAD-IIAWOOMASA-N 2 0 293.455 1.729 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001481246014 899624717 /nfs/dbraw/zinc/62/47/17/899624717.db2.gz OAGIHZIJCIAHBZ-KBPBESRZSA-N 2 0 299.846 1.804 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001267780108 899711718 /nfs/dbraw/zinc/71/17/18/899711718.db2.gz ZDGLPXKPLDUGNG-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)CC1CC[NH+](C)CC1 ZINC001267821759 899814292 /nfs/dbraw/zinc/81/42/92/899814292.db2.gz QTCDRROJUPQQDI-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001481505814 900955312 /nfs/dbraw/zinc/95/53/12/900955312.db2.gz WEOPFYNHNYHMCM-MRXNPFEDSA-N 2 0 293.455 1.522 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001567736398 1168941098 /nfs/dbraw/zinc/94/10/98/1168941098.db2.gz LPLLGGWWFCFEIL-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C(C)C ZINC001268211821 901580953 /nfs/dbraw/zinc/58/09/53/901580953.db2.gz HZACXBGWJRAWLJ-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001268247959 901664663 /nfs/dbraw/zinc/66/46/63/901664663.db2.gz XQZWFIXKPZWOSH-UHFFFAOYSA-N 2 0 267.417 1.295 10 30 CDEERP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001268258398 901686698 /nfs/dbraw/zinc/68/66/98/901686698.db2.gz BGDGLFWACBQIIY-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268347774 901909767 /nfs/dbraw/zinc/90/97/67/901909767.db2.gz DYRAMUDCPRRSGC-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP CC#CC[NH2+]C[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1CC1 ZINC001481949003 902395674 /nfs/dbraw/zinc/39/56/74/902395674.db2.gz UINAKKYVFSMBPR-MRXNPFEDSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCCC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268802244 903142563 /nfs/dbraw/zinc/14/25/63/903142563.db2.gz ONRBTKPNWQQDSC-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567831862 1169005813 /nfs/dbraw/zinc/00/58/13/1169005813.db2.gz ASHWHOOCDUQRLW-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001270248445 904473949 /nfs/dbraw/zinc/47/39/49/904473949.db2.gz BKUHNPCVEKIRSW-AWEZNQCLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001270261002 904489508 /nfs/dbraw/zinc/48/95/08/904489508.db2.gz LHMHFJSCNUOHSZ-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001270516625 904692376 /nfs/dbraw/zinc/69/23/76/904692376.db2.gz GFBVKXFQBOKJMS-BBRMVZONSA-N 2 0 299.434 1.727 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001270550713 904722741 /nfs/dbraw/zinc/72/27/41/904722741.db2.gz JFTJIVIWPZWDMW-HNNXBMFYSA-N 2 0 279.428 1.084 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001270649787 904879075 /nfs/dbraw/zinc/87/90/75/904879075.db2.gz PUCJCXMSIAJSSU-DZGCQCFKSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567915783 1169066618 /nfs/dbraw/zinc/06/66/18/1169066618.db2.gz XLSONEITMJWXIL-HNNXBMFYSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001482900818 908465653 /nfs/dbraw/zinc/46/56/53/908465653.db2.gz KTTVJARPWJCEPR-HNNXBMFYSA-N 2 0 279.428 1.370 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001483059990 909194217 /nfs/dbraw/zinc/19/42/17/909194217.db2.gz AWCORJRRGWNMEY-VBROQKIQSA-N 2 0 265.401 1.166 10 30 CDEERP C=CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001568026080 1169122766 /nfs/dbraw/zinc/12/27/66/1169122766.db2.gz KOMJMQQUKYKNRF-RDJZCZTQSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001483908432 915204840 /nfs/dbraw/zinc/20/48/40/915204840.db2.gz KFRXFGFHLRYCPJ-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC=C)CC1 ZINC001483989396 915269237 /nfs/dbraw/zinc/26/92/37/915269237.db2.gz ILELYFVGYGMBMB-OAHLLOKOSA-N 2 0 289.423 1.050 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001484006063 915280045 /nfs/dbraw/zinc/28/00/45/915280045.db2.gz BNGBQACXYVNDRX-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001484923134 916279634 /nfs/dbraw/zinc/27/96/34/916279634.db2.gz FLSOZGICYQVXEX-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001485456340 916980304 /nfs/dbraw/zinc/98/03/04/916980304.db2.gz PQYFUEZDXJYTIO-UHFFFAOYSA-N 2 0 281.444 1.923 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001485457914 916990443 /nfs/dbraw/zinc/99/04/43/916990443.db2.gz DGFABUGVBRYLJM-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001486131505 920736699 /nfs/dbraw/zinc/73/66/99/920736699.db2.gz QDYAUPCPKZMFJC-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001486209971 920820359 /nfs/dbraw/zinc/82/03/59/920820359.db2.gz FZDYHYHAPRMKHT-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001486412163 920985826 /nfs/dbraw/zinc/98/58/26/920985826.db2.gz ZCXUNZLADOXVPE-GJZGRUSLSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001486509721 921084757 /nfs/dbraw/zinc/08/47/57/921084757.db2.gz WTXUQFAYHZHLOO-OAHLLOKOSA-N 2 0 277.412 1.098 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001491053116 936846786 /nfs/dbraw/zinc/84/67/86/936846786.db2.gz RIRAETHUHJYQMG-QLFBSQMISA-N 2 0 281.444 1.776 10 30 CDEERP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001491235128 936880808 /nfs/dbraw/zinc/88/08/08/936880808.db2.gz BGLRTWMEXGEUFS-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001273200850 924501503 /nfs/dbraw/zinc/50/15/03/924501503.db2.gz HGAZLPOLIYAKSX-UHFFFAOYSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001119644576 925452241 /nfs/dbraw/zinc/45/22/41/925452241.db2.gz VRHDHRVPLGHJHJ-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001494999574 926615266 /nfs/dbraw/zinc/61/52/66/926615266.db2.gz JSJPDSZQARDDKN-KBPBESRZSA-N 2 0 267.417 1.080 10 30 CDEERP C=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001488999716 926770226 /nfs/dbraw/zinc/77/02/26/926770226.db2.gz CKWBLRSGDOOBAQ-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(C)CCN(C)CC(=C)Cl ZINC001568486142 1169319015 /nfs/dbraw/zinc/31/90/15/1169319015.db2.gz SYFRRNOWBLOXFT-AWEZNQCLSA-N 2 0 297.830 1.227 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001274825189 931585921 /nfs/dbraw/zinc/58/59/21/931585921.db2.gz NFDOMWJFQXLGNY-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001275648300 931928615 /nfs/dbraw/zinc/92/86/15/931928615.db2.gz IODTUEMLTGSRGY-HUUCEWRRSA-N 2 0 281.444 1.567 10 30 CDEERP CC#CC[NH+](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001275707685 931969920 /nfs/dbraw/zinc/96/99/20/931969920.db2.gz XSPZYDXCDLRWOR-AWEZNQCLSA-N 2 0 267.417 1.178 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001275790903 932037834 /nfs/dbraw/zinc/03/78/34/932037834.db2.gz IHRPPWIPLCKWRH-CVEARBPZSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)C1CC[NH+](C)CC1 ZINC001276261298 932695396 /nfs/dbraw/zinc/69/53/96/932695396.db2.gz DFYSJEQIMIGMHZ-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001568669672 1169423143 /nfs/dbraw/zinc/42/31/43/1169423143.db2.gz ULMXPKIETOXAEB-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001329471810 939802251 /nfs/dbraw/zinc/80/22/51/939802251.db2.gz MMOAXGNJQJJKRY-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001276751260 940973371 /nfs/dbraw/zinc/97/33/71/940973371.db2.gz OLCXBAYXSYSQTE-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001280143553 942420260 /nfs/dbraw/zinc/42/02/60/942420260.db2.gz WORQHZJYJNHQHA-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001282269584 942684340 /nfs/dbraw/zinc/68/43/40/942684340.db2.gz DZLHBUZTWALAAB-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001282733424 942745815 /nfs/dbraw/zinc/74/58/15/942745815.db2.gz FDJLOAWKKZWZPW-ZDUSSCGKSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001282738128 942746435 /nfs/dbraw/zinc/74/64/35/942746435.db2.gz OQFYMFVWGRZSIE-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[N@H+]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001282820224 942755933 /nfs/dbraw/zinc/75/59/33/942755933.db2.gz KMOPTGIVSMZQGM-KBPBESRZSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001283617577 942948511 /nfs/dbraw/zinc/94/85/11/942948511.db2.gz JNLHENHPTKJCPM-CABCVRRESA-N 2 0 283.460 1.975 10 30 CDEERP C=CCC[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001284959481 943302443 /nfs/dbraw/zinc/30/24/43/943302443.db2.gz LNGFLEGDLRUYQK-UHFFFAOYSA-N 2 0 291.439 1.653 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001263878364 944018879 /nfs/dbraw/zinc/01/88/79/944018879.db2.gz VHBSTIVUPLJNDZ-KKUMJFAQSA-N 2 0 279.428 1.080 10 30 CDEERP C#CCC[NH+](CC)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001265114468 944235034 /nfs/dbraw/zinc/23/50/34/944235034.db2.gz AZDYPFLSJZACIS-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001265182754 944265158 /nfs/dbraw/zinc/26/51/58/944265158.db2.gz OJYUGFISGBBBBT-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001265232769 944290090 /nfs/dbraw/zinc/29/00/90/944290090.db2.gz FRDRYANWKMALNB-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001332199147 945859183 /nfs/dbraw/zinc/85/91/83/945859183.db2.gz NLHXUHBPTXVETK-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]CCCCCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001479628212 971348500 /nfs/dbraw/zinc/34/85/00/971348500.db2.gz WIUYDRVVKOIYFE-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001479831280 971441783 /nfs/dbraw/zinc/44/17/83/971441783.db2.gz DKWBQORDFKYYQG-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001278459718 948382619 /nfs/dbraw/zinc/38/26/19/948382619.db2.gz NNCLCOHYUIVYHY-GOEBONIOSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001480111055 971581775 /nfs/dbraw/zinc/58/17/75/971581775.db2.gz WGPYBSTVPLQRQD-KBPBESRZSA-N 2 0 285.407 1.433 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001480368114 971690368 /nfs/dbraw/zinc/69/03/68/971690368.db2.gz VLSCSKXQYMRZRP-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[N@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001324675771 953511231 /nfs/dbraw/zinc/51/12/31/953511231.db2.gz ZRGLJWIOVYEDDG-INIZCTEOSA-N 2 0 279.428 1.629 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001328258296 955243833 /nfs/dbraw/zinc/24/38/33/955243833.db2.gz OKYAJYGRGPGVDD-GJZGRUSLSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1ncc[nH]1 ZINC001329148568 955719081 /nfs/dbraw/zinc/71/90/81/955719081.db2.gz FRPKPVTVMLMJTJ-QWRGUYRKSA-N 2 0 250.346 1.011 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001493830097 972122663 /nfs/dbraw/zinc/12/26/63/972122663.db2.gz MMYIUAMLEUREEO-CQSZACIVSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001329473308 955936593 /nfs/dbraw/zinc/93/65/93/955936593.db2.gz YDTMAGJSTYHDLE-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001317322789 956113673 /nfs/dbraw/zinc/11/36/73/956113673.db2.gz NGNLUCQVAVAEQH-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001330031264 956241867 /nfs/dbraw/zinc/24/18/67/956241867.db2.gz KGXAMQQQXCQSGY-CQSZACIVSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001330336814 956384272 /nfs/dbraw/zinc/38/42/72/956384272.db2.gz ALJIRYYUMDZHBF-JONQDZQNSA-N 2 0 291.439 1.034 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001330651276 956542515 /nfs/dbraw/zinc/54/25/15/956542515.db2.gz WIUBEWOCHGGCSE-HDJSIYSDSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001316859332 956646216 /nfs/dbraw/zinc/64/62/16/956646216.db2.gz NVEQZAHDRPOYKX-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001340918445 956761845 /nfs/dbraw/zinc/76/18/45/956761845.db2.gz WDDWDSMAOVLPEU-HZSPNIEDSA-N 2 0 265.401 1.271 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001316882447 957087742 /nfs/dbraw/zinc/08/77/42/957087742.db2.gz YTLCLIFOPMCYMH-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001317007741 957198464 /nfs/dbraw/zinc/19/84/64/957198464.db2.gz QFSJGTUJHHKNCD-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001317181639 957327918 /nfs/dbraw/zinc/32/79/18/957327918.db2.gz USLBYIJABUOPKL-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001317336303 957427922 /nfs/dbraw/zinc/42/79/22/957427922.db2.gz HYXAUECAVJQTRL-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCC2CC2)CC1 ZINC001317670071 957632979 /nfs/dbraw/zinc/63/29/79/957632979.db2.gz PCBQEYJCERHHPQ-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CCNC(=O)CCc2cncn2C)C1 ZINC001317810182 957670964 /nfs/dbraw/zinc/67/09/64/957670964.db2.gz YSMIUYFWXXHKRU-CQSZACIVSA-N 2 0 290.411 1.367 10 30 CDEERP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001317810866 957673801 /nfs/dbraw/zinc/67/38/01/957673801.db2.gz GRDWQTCAMVWOSW-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001332859002 957892310 /nfs/dbraw/zinc/89/23/10/957892310.db2.gz VSKXOHFLSDQIAJ-GJZGRUSLSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001318301033 958022399 /nfs/dbraw/zinc/02/23/99/958022399.db2.gz JXSZMRCHQPYDFL-LSDHHAIUSA-N 2 0 279.428 1.483 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CC(C)C)CC1 ZINC001318608898 958197615 /nfs/dbraw/zinc/19/76/15/958197615.db2.gz ZLHXCFXQUQUVCB-MRXNPFEDSA-N 2 0 293.455 1.472 10 30 CDEERP C#CCC[NH2+]C[C@](C)(NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001318729745 958247321 /nfs/dbraw/zinc/24/73/21/958247321.db2.gz POSNDVJRJBCLEG-PBHICJAKSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC([NH3+])(CC)CC2)CCC[NH2+]1 ZINC001333731869 958552600 /nfs/dbraw/zinc/55/26/00/958552600.db2.gz WTALCGQNKXEZMN-OAHLLOKOSA-N 2 0 265.401 1.415 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001494999110 972368254 /nfs/dbraw/zinc/36/82/54/972368254.db2.gz GQRBGTNRVGDRPI-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]C[C@@](C)(NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001495258961 972460096 /nfs/dbraw/zinc/46/00/96/972460096.db2.gz NPVMDKGXPWKUOX-NVXWUHKLSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001324082152 961156768 /nfs/dbraw/zinc/15/67/68/961156768.db2.gz REGQCOKQNLAKQZ-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001437380020 962850153 /nfs/dbraw/zinc/85/01/53/962850153.db2.gz DEOBFSFKJWVNSP-CHWSQXEVSA-N 2 0 287.835 1.708 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC(C(C)(C)C[NH3+])CC2)CCC[NH2+]1 ZINC001341289647 963353912 /nfs/dbraw/zinc/35/39/12/963353912.db2.gz VLUNGRLMHPGWEV-KRWDZBQOSA-N 2 0 293.455 1.908 10 30 CDEERP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001421252831 963520554 /nfs/dbraw/zinc/52/05/54/963520554.db2.gz JZWRXPLTMYPKBQ-HNNXBMFYSA-N 2 0 299.846 1.663 10 30 CDEERP C=CC[C@]1(C(=O)Nc2cccc3c2C[NH2+]C3)CCC[NH2+]1 ZINC001342397724 963731523 /nfs/dbraw/zinc/73/15/23/963731523.db2.gz KWYJUTXUSGQNBR-MRXNPFEDSA-N 2 0 271.364 1.927 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001558884463 965371429 /nfs/dbraw/zinc/37/14/29/965371429.db2.gz CFRBOKWOLPEMLO-UHFFFAOYSA-N 2 0 290.411 1.611 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC001543370652 967293964 /nfs/dbraw/zinc/29/39/64/967293964.db2.gz FXACDKOUBCSUKT-INIZCTEOSA-N 2 0 289.423 1.393 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001455947383 968835633 /nfs/dbraw/zinc/83/56/33/968835633.db2.gz SAQJPGIMRZOZIK-UHFFFAOYSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001495682771 972593385 /nfs/dbraw/zinc/59/33/85/972593385.db2.gz GMCOTIDSUJOUSC-ZBFHGGJFSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001495963480 972721911 /nfs/dbraw/zinc/72/19/11/972721911.db2.gz YDIPXNIFNBYQNM-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001496054465 972775479 /nfs/dbraw/zinc/77/54/79/972775479.db2.gz GYTZMXLCHHHGIN-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001496452973 972927648 /nfs/dbraw/zinc/92/76/48/972927648.db2.gz WSNXXCGYFGQPPZ-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001496734240 973075639 /nfs/dbraw/zinc/07/56/39/973075639.db2.gz CTESLBHDHZTUPD-INIZCTEOSA-N 2 0 293.455 1.520 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001496806483 973106583 /nfs/dbraw/zinc/10/65/83/973106583.db2.gz FOGWDOJORZUCSJ-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001497219627 973249257 /nfs/dbraw/zinc/24/92/57/973249257.db2.gz CUXQJHBBIFUKLQ-AWEZNQCLSA-N 2 0 293.455 1.757 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001569683987 1169964890 /nfs/dbraw/zinc/96/48/90/1169964890.db2.gz VQACYJQXZDBDRG-DOTOQJQBSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001498786190 974062602 /nfs/dbraw/zinc/06/26/02/974062602.db2.gz NZZVRGYXNAJHOJ-OAHLLOKOSA-N 2 0 289.423 1.123 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001498808665 974067236 /nfs/dbraw/zinc/06/72/36/974067236.db2.gz XDXACQBWEZXAEH-CVEARBPZSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001499492465 974260577 /nfs/dbraw/zinc/26/05/77/974260577.db2.gz CTMOTISCLRHWHN-GOOCMWNKSA-N 2 0 277.412 1.073 10 30 CDEERP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001499497487 974261657 /nfs/dbraw/zinc/26/16/57/974261657.db2.gz UDPRVACDLMWMRY-MQVJKMGUSA-N 2 0 291.439 1.462 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001499689557 974289630 /nfs/dbraw/zinc/28/96/30/974289630.db2.gz NAZXRVULDBRATE-HNNXBMFYSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500520116 974447259 /nfs/dbraw/zinc/44/72/59/974447259.db2.gz YYBYPYSSXABKHS-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001501081175 974529329 /nfs/dbraw/zinc/52/93/29/974529329.db2.gz ZEMRXWUQZBRFHY-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001501395315 974578338 /nfs/dbraw/zinc/57/83/38/974578338.db2.gz LYUXWUYRAHAEJB-CABCVRRESA-N 2 0 277.412 1.027 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001502968531 974805335 /nfs/dbraw/zinc/80/53/35/974805335.db2.gz MMZFKSLDMOQNOI-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001505499799 974896073 /nfs/dbraw/zinc/89/60/73/974896073.db2.gz BYMJATWPRBFNJP-GPANFISMSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001506578415 975181296 /nfs/dbraw/zinc/18/12/96/975181296.db2.gz GSNFCPSUWQVPIM-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001506652629 975198165 /nfs/dbraw/zinc/19/81/65/975198165.db2.gz GIJFHHHKFMQLSJ-ZFWWWQNUSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001507129931 975347376 /nfs/dbraw/zinc/34/73/76/975347376.db2.gz ZCLRLXBPHVNYMD-CYBMUJFWSA-N 2 0 269.433 1.587 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001507129932 975347604 /nfs/dbraw/zinc/34/76/04/975347604.db2.gz ZCLRLXBPHVNYMD-ZDUSSCGKSA-N 2 0 269.433 1.587 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001507326723 975417119 /nfs/dbraw/zinc/41/71/19/975417119.db2.gz WAFDTSOCWFEZCA-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001507963121 975571102 /nfs/dbraw/zinc/57/11/02/975571102.db2.gz GMZDZLJPAOPARQ-ZIAGYGMSSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001379326357 975768885 /nfs/dbraw/zinc/76/88/85/975768885.db2.gz IFHRMZOLIRXIJQ-LBPRGKRZSA-N 2 0 275.824 1.516 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001674140666 1173917633 /nfs/dbraw/zinc/91/76/33/1173917633.db2.gz HWBLMUIJBPXJQN-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001674869207 1174018200 /nfs/dbraw/zinc/01/82/00/1174018200.db2.gz FONYFSQZSPZVFZ-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001676854442 1174279864 /nfs/dbraw/zinc/27/98/64/1174279864.db2.gz UBQZOVNTANJVLK-BZUAXINKSA-N 2 0 291.439 1.177 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001676991708 1174306799 /nfs/dbraw/zinc/30/67/99/1174306799.db2.gz YJIUMPZTPSOYLU-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001570653244 1170223966 /nfs/dbraw/zinc/22/39/66/1170223966.db2.gz OSZQCALZRWXDIV-OLZOCXBDSA-N 2 0 255.406 1.386 10 30 CDEERP CC#CC[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001570667597 1170226518 /nfs/dbraw/zinc/22/65/18/1170226518.db2.gz PVNJWTFNMBUIGD-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001571502350 1170456817 /nfs/dbraw/zinc/45/68/17/1170456817.db2.gz DAIFKKLGLABZBP-GDBMZVCRSA-N 2 0 279.428 1.627 10 30 CDEERP N#Cc1ccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000592470982 342698211 /nfs/dbraw/zinc/69/82/11/342698211.db2.gz RFVGUIMVEUMVIK-BZUAXINKSA-N 2 0 285.391 1.915 10 30 CDEERP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594438762 342906354 /nfs/dbraw/zinc/90/63/54/342906354.db2.gz WWJPEXCPXPSLGY-KBPBESRZSA-N 2 0 280.416 1.340 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000594440616 342907158 /nfs/dbraw/zinc/90/71/58/342907158.db2.gz HASNFNCEJCOXGX-HNNXBMFYSA-N 2 0 292.427 1.484 10 30 CDEERP C[NH+](C)CC1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594441175 342907441 /nfs/dbraw/zinc/90/74/41/342907441.db2.gz OHAUZFHXXJXUTL-CQSZACIVSA-N 2 0 280.416 1.198 10 30 CDEERP C[NH+](C)C1(CNC(=O)[C@H]([NH3+])CCCCC#N)CCCC1 ZINC000594445468 342908813 /nfs/dbraw/zinc/90/88/13/342908813.db2.gz GHWKHEJVCPUHOZ-CYBMUJFWSA-N 2 0 280.416 1.388 10 30 CDEERP C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C(C)(C)C[NH+](C)C ZINC000600726781 342245325 /nfs/dbraw/zinc/24/53/25/342245325.db2.gz UURIKPHNXXWLDO-OLZOCXBDSA-N 2 0 267.417 1.607 10 30 CDEERP C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C(C)(C)C[NH+](C)C ZINC000600726784 342245345 /nfs/dbraw/zinc/24/53/45/342245345.db2.gz UURIKPHNXXWLDO-STQMWFEESA-N 2 0 267.417 1.607 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000594425035 342903949 /nfs/dbraw/zinc/90/39/49/342903949.db2.gz JHDYOBYMRXXNDG-KGLIPLIRSA-N 2 0 280.416 1.421 10 30 CDEERP N#CC1(C[NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCCCC1 ZINC000594740562 342951609 /nfs/dbraw/zinc/95/16/09/342951609.db2.gz YZGURMDHDUEPKU-AWEZNQCLSA-N 2 0 292.427 1.247 10 30 CDEERP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001661275841 1172362369 /nfs/dbraw/zinc/36/23/69/1172362369.db2.gz IBJSUBQARVGRQK-IYBDPMFKSA-N 2 0 291.439 1.417 10 30 CDEERP C[NH+](C)C1CCN(CC[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352829264 374365314 /nfs/dbraw/zinc/36/53/14/374365314.db2.gz AAALNVCJBVUWRR-UHFFFAOYSA-N 2 0 293.440 1.130 10 30 CDEERP CC#CC[NH2+]C1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001662139032 1172485860 /nfs/dbraw/zinc/48/58/60/1172485860.db2.gz ZILMUMCEEOXGNJ-UHFFFAOYSA-N 2 0 289.423 1.123 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000195045921 375979678 /nfs/dbraw/zinc/97/96/78/375979678.db2.gz KISXXORKOZCTDG-MRXNPFEDSA-N 2 0 289.423 1.028 10 30 CDEERP C=CCCC[N@@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001663419132 1172692670 /nfs/dbraw/zinc/69/26/70/1172692670.db2.gz CEBPFEZYXMPCOO-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[C@@H](O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104682 392012216 /nfs/dbraw/zinc/01/22/16/392012216.db2.gz LVLYZIUAVOISQD-CQSZACIVSA-N 2 0 268.401 1.110 10 30 CDEERP COc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1C#N ZINC000234907673 140233194 /nfs/dbraw/zinc/23/31/94/140233194.db2.gz APDJLRQYGPNZEX-UHFFFAOYSA-N 2 0 273.380 1.998 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001664009457 1172800592 /nfs/dbraw/zinc/80/05/92/1172800592.db2.gz YLLSQECFHLTBKH-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[C@@]1(C(=O)NCCCC[NH+](C)C)CCC[NH2+]1 ZINC000662682146 413302856 /nfs/dbraw/zinc/30/28/56/413302856.db2.gz GNOLIEBPQVNYAC-AWEZNQCLSA-N 2 0 253.390 1.143 10 30 CDEERP C=CC[C@@]1(C(=O)NCc2cn3c(cccc3C)n2)CCC[NH2+]1 ZINC000662726889 413389085 /nfs/dbraw/zinc/38/90/85/413389085.db2.gz JBNWLRVGBAWMAI-KRWDZBQOSA-N 2 0 298.390 1.957 10 30 CDEERP C=CCOCCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665263679 413990948 /nfs/dbraw/zinc/99/09/48/413990948.db2.gz RRGMTSMEXSYQPJ-RRFJBIMHSA-N 2 0 268.401 1.326 10 30 CDEERP CCC[NH+]1CCN(Cc2sccc2C#CC[NH3+])CC1 ZINC000043683560 175092042 /nfs/dbraw/zinc/09/20/42/175092042.db2.gz HHKHPBUYWSRFQI-UHFFFAOYSA-N 2 0 277.437 1.586 10 30 CDEERP C[N@@H+](Cc1ccc(C#CC[NH3+])s1)C[C@@H]1CCCO1 ZINC000043683884 175092335 /nfs/dbraw/zinc/09/23/35/175092335.db2.gz KZMXXHJKOHMZKU-LBPRGKRZSA-N 2 0 264.394 1.669 10 30 CDEERP CC(C)C[N@H+](CC(N)=O)Cc1ccc(C#CC[NH3+])s1 ZINC000043684243 175092691 /nfs/dbraw/zinc/09/26/91/175092691.db2.gz GTRYAUAHMRAVLN-UHFFFAOYSA-N 2 0 279.409 1.002 10 30 CDEERP NC(=O)CC1CC[NH+](Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043689081 175095196 /nfs/dbraw/zinc/09/51/96/175095196.db2.gz BZYORNUHJHUMSX-UHFFFAOYSA-N 2 0 291.420 1.146 10 30 CDEERP CCCN[C@@](C)(C#N)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045182209 175325467 /nfs/dbraw/zinc/32/54/67/175325467.db2.gz GOZSLPMLCBPOLS-MRXNPFEDSA-N 2 0 280.460 1.932 10 30 CDEERP C#CCC[NH2+]Cc1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001666341320 1173127979 /nfs/dbraw/zinc/12/79/79/1173127979.db2.gz SJIBRECEBZCRNI-UHFFFAOYSA-N 2 0 287.407 1.367 10 30 CDEERP C[C@@H]([NH2+]CC#CC[NH2+][C@@H](C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000341904810 263365475 /nfs/dbraw/zinc/36/54/75/263365475.db2.gz DPBAGNZHFYPFOX-SYMSYNOKSA-N 2 0 280.412 1.019 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662703813 424347189 /nfs/dbraw/zinc/34/71/89/424347189.db2.gz UVDFYIFIOULUHJ-WFASDCNBSA-N 2 0 263.385 1.038 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001667668630 1173310212 /nfs/dbraw/zinc/31/02/12/1173310212.db2.gz CTNAOYFPOGGGGC-UHFFFAOYSA-N 2 0 281.444 1.829 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001668059162 1173363157 /nfs/dbraw/zinc/36/31/57/1173363157.db2.gz AXTLUINKYXSJSA-ZBFHGGJFSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001668151867 1173373704 /nfs/dbraw/zinc/37/37/04/1173373704.db2.gz BVPVPNCRDMDCLK-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001668652381 1173435834 /nfs/dbraw/zinc/43/58/34/1173435834.db2.gz NVYSEWXHYFDBTP-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001668904288 1173477352 /nfs/dbraw/zinc/47/73/52/1173477352.db2.gz ALTPIBWIFZCMDI-SQRWCISFSA-N 2 0 293.455 1.945 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672531407 1173782514 /nfs/dbraw/zinc/78/25/14/1173782514.db2.gz UQWSKVOLXQADNL-LSDHHAIUSA-N 2 0 277.412 1.027 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267016346 1159085375 /nfs/dbraw/zinc/08/53/75/1159085375.db2.gz QUWQIIDOWQGCHP-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001267142762 1159136542 /nfs/dbraw/zinc/13/65/42/1159136542.db2.gz VYMRNXUBIOQDSM-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C[NH+](C)C1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCCCCC1 ZINC000261966244 329992046 /nfs/dbraw/zinc/99/20/46/329992046.db2.gz LNNLWSIWIMOMSS-AWEZNQCLSA-N 2 0 296.459 1.724 10 30 CDEERP C[C@H]1CN(C(=[NH2+])NC[C@@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC000262305317 330005174 /nfs/dbraw/zinc/00/51/74/330005174.db2.gz AIAXZLDNKFHMCF-STQMWFEESA-N 2 0 282.432 1.142 10 30 CDEERP CC[C@@H](C)NC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000262316599 330005715 /nfs/dbraw/zinc/00/57/15/330005715.db2.gz BLTYUSLYFRUGBY-PNESKVBLSA-N 2 0 252.406 1.706 10 30 CDEERP CNC(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)=[NH+]C ZINC000262422370 330009524 /nfs/dbraw/zinc/00/95/24/330009524.db2.gz VDYXENFUYGBXFM-UHFFFAOYSA-N 2 0 292.349 1.587 10 30 CDEERP C=CCCC[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423086965 330168704 /nfs/dbraw/zinc/16/87/04/330168704.db2.gz OJFYRUQZMGAULE-CYBMUJFWSA-N 2 0 268.401 1.864 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001698549181 1175832332 /nfs/dbraw/zinc/83/23/32/1175832332.db2.gz HCXPHMIHSMWSNZ-ZDUSSCGKSA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001700731305 1177097742 /nfs/dbraw/zinc/09/77/42/1177097742.db2.gz GRJGMIMWXSYCTR-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001483511822 1160932089 /nfs/dbraw/zinc/93/20/89/1160932089.db2.gz JJLBEXMUYVWOJY-UHFFFAOYSA-N 2 0 281.444 1.877 10 30 CDEERP C=CC[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001707420812 1178034698 /nfs/dbraw/zinc/03/46/98/1178034698.db2.gz BUMVEKWRAZVASG-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CCCC[NH+](C)C ZINC001715370864 1179646958 /nfs/dbraw/zinc/64/69/58/1179646958.db2.gz DBLHZITVLIZYJF-CQSZACIVSA-N 2 0 267.417 1.178 10 30 CDEERP CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000049232194 519793463 /nfs/dbraw/zinc/79/34/63/519793463.db2.gz MPASPYKSYQPIQK-MRXNPFEDSA-N 2 0 287.407 1.313 10 30 CDEERP C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(C#CC[NH3+])cc1 ZINC000061655669 521834227 /nfs/dbraw/zinc/83/42/27/521834227.db2.gz ANHJRXGRVCFBRS-INIZCTEOSA-N 2 0 285.391 1.163 10 30 CDEERP CN[C@@H](C#N)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062439513 522319084 /nfs/dbraw/zinc/31/90/84/522319084.db2.gz ANBJKIPVBFYCKJ-OAHLLOKOSA-N 2 0 264.417 1.296 10 30 CDEERP C[N@H+](CCOc1ccc(C#CC[NH3+])cc1)[C@@H]1CCSC1 ZINC000049608993 522906147 /nfs/dbraw/zinc/90/61/47/522906147.db2.gz RODVNKNPDSWJFU-OAHLLOKOSA-N 2 0 290.432 1.813 10 30 CDEERP COc1ccc(C[NH+]2CCC(CO)CC2)cc1C#CC[NH3+] ZINC000049608312 524024513 /nfs/dbraw/zinc/02/45/13/524024513.db2.gz UWLZELJCULHZQS-UHFFFAOYSA-N 2 0 288.391 1.210 10 30 CDEERP COc1ccc(C[NH+]2CCC(OC)CC2)cc1C#CC[NH3+] ZINC000049609083 524024613 /nfs/dbraw/zinc/02/46/13/524024613.db2.gz DCSRATNBOYWWOQ-UHFFFAOYSA-N 2 0 288.391 1.616 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333417917 526436404 /nfs/dbraw/zinc/43/64/04/526436404.db2.gz SDHVZQIJRSJLGT-CQSZACIVSA-N 2 0 280.416 1.078 10 30 CDEERP [NH3+]CC#Cc1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000049608310 527149293 /nfs/dbraw/zinc/14/92/93/527149293.db2.gz KEXSQDCJQIGKOO-UHFFFAOYSA-N 2 0 258.365 1.201 10 30 CDEERP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925859688 617898794 /nfs/dbraw/zinc/89/87/94/617898794.db2.gz XPOIJMHHBZTKTE-RDBSUJKOSA-N 2 0 291.395 1.344 10 30 CDEERP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902816107 625470478 /nfs/dbraw/zinc/47/04/78/625470478.db2.gz ZFBQJUZSSSKNKI-LBPRGKRZSA-N 2 0 274.368 1.061 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000901027632 623820608 /nfs/dbraw/zinc/82/06/08/623820608.db2.gz WPPHKEBHQUIMPV-JSGCOSHPSA-N 2 0 265.401 1.093 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000901253793 624070639 /nfs/dbraw/zinc/07/06/39/624070639.db2.gz AKGWYTADGHMPGI-AWEZNQCLSA-N 2 0 281.444 1.683 10 30 CDEERP N#CC1CCC(C[NH+]2CCC([NH2+]CCO)CC2)CC1 ZINC000903476929 626005291 /nfs/dbraw/zinc/00/52/91/626005291.db2.gz OGROCQNCMPEFIF-UHFFFAOYSA-N 2 0 265.401 1.363 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267129449 1159131112 /nfs/dbraw/zinc/13/11/12/1159131112.db2.gz PMQYSVHLHSXMBM-UKRRQHHQSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267536720 1159444541 /nfs/dbraw/zinc/44/45/41/1159444541.db2.gz ZDODLXPMMCGVFL-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001269985861 1160081391 /nfs/dbraw/zinc/08/13/91/1160081391.db2.gz PRVDOSBCVZUOQS-KLHDSHLOSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732694283 1160194719 /nfs/dbraw/zinc/19/47/19/1160194719.db2.gz HEKPFXVACDLKCH-RRFJBIMHSA-N 2 0 281.444 1.777 10 30 CDEERP CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000789804286 1162107353 /nfs/dbraw/zinc/10/73/53/1162107353.db2.gz MDJMBWYEPYFVJK-LSDHHAIUSA-N 2 0 282.428 1.850 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001275593080 1166692005 /nfs/dbraw/zinc/69/20/05/1166692005.db2.gz XTRQUQIKPPPPCX-QWHCGFSZSA-N 2 0 255.406 1.339 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC001540642271 1167921581 /nfs/dbraw/zinc/92/15/81/1167921581.db2.gz DUZJHUMCBKGSLB-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001566897056 1168460686 /nfs/dbraw/zinc/46/06/86/1168460686.db2.gz PTGGMWJPOXFAEW-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001567065045 1168542387 /nfs/dbraw/zinc/54/23/87/1168542387.db2.gz AXVHIHKQRYBPMT-AWEZNQCLSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001567151314 1168599299 /nfs/dbraw/zinc/59/92/99/1168599299.db2.gz OQISWPNSYWWADJ-HUUCEWRRSA-N 2 0 281.444 1.587 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001568119181 1169140487 /nfs/dbraw/zinc/14/04/87/1169140487.db2.gz UELFOJUIIGQIRH-KRWDZBQOSA-N 2 0 299.418 1.510 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568179489 1169163434 /nfs/dbraw/zinc/16/34/34/1169163434.db2.gz CBPOQKVBOWNIRK-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568311985 1169240100 /nfs/dbraw/zinc/24/01/00/1169240100.db2.gz FOAGUIGCIUFCCV-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001569302738 1169755635 /nfs/dbraw/zinc/75/56/35/1169755635.db2.gz BBLIXBBYPGZIRO-JKSUJKDBSA-N 2 0 293.455 1.920 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001569308261 1169757762 /nfs/dbraw/zinc/75/77/62/1169757762.db2.gz YAMFUAGWDSRBJL-CABCVRRESA-N 2 0 279.428 1.080 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001569407830 1169862948 /nfs/dbraw/zinc/86/29/48/1169862948.db2.gz NGQIKASETBNZDM-UHFFFAOYSA-N 2 0 263.385 1.039 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001570860490 1170304670 /nfs/dbraw/zinc/30/46/70/1170304670.db2.gz UXTDCQFIBWNNND-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001571180962 1170343540 /nfs/dbraw/zinc/34/35/40/1170343540.db2.gz JYMWDKFTGKOLLX-KKUMJFAQSA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001571664742 1170513902 /nfs/dbraw/zinc/51/39/02/1170513902.db2.gz ULTHGXUCMYACKE-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001664849630 1172920611 /nfs/dbraw/zinc/92/06/11/1172920611.db2.gz SRXAGPLVLRYCRO-HUUCEWRRSA-N 2 0 281.444 1.683 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001669474089 1173554121 /nfs/dbraw/zinc/55/41/21/1173554121.db2.gz GUHDONNPSPZGLO-CYBMUJFWSA-N 2 0 253.390 1.143 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001671368017 1173679543 /nfs/dbraw/zinc/67/95/43/1173679543.db2.gz CMFCBXMKKFNHTE-AWEZNQCLSA-N 2 0 277.412 1.239 10 30 CDEERP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001672328432 1173765792 /nfs/dbraw/zinc/76/57/92/1173765792.db2.gz NZJDSQYXYOFITQ-CABCVRRESA-N 2 0 279.428 1.036 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001674551340 1173961417 /nfs/dbraw/zinc/96/14/17/1173961417.db2.gz OGUGXVMZZQOSKM-YMAMQOFZSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001597958725 1174300716 /nfs/dbraw/zinc/30/07/16/1174300716.db2.gz RBEMVQBVIFITJA-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001677448333 1174361835 /nfs/dbraw/zinc/36/18/35/1174361835.db2.gz FCMVZJAGRCSSLR-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690788735 1175572367 /nfs/dbraw/zinc/57/23/67/1175572367.db2.gz VJJANIPFTIRPCA-JKSUJKDBSA-N 2 0 291.439 1.513 10 30 CDEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690814819 1175579070 /nfs/dbraw/zinc/57/90/70/1175579070.db2.gz LTPXETFNJVVLDP-OAHLLOKOSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001691979695 1175661805 /nfs/dbraw/zinc/66/18/05/1175661805.db2.gz RBMHKBRORHNMPD-KGLIPLIRSA-N 2 0 267.417 1.293 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001698732483 1175906987 /nfs/dbraw/zinc/90/69/87/1175906987.db2.gz QQYIINTYYHVGGU-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001698825474 1175950564 /nfs/dbraw/zinc/95/05/64/1175950564.db2.gz UMSNWPPHOZVWQP-MELADBBJSA-N 2 0 267.417 1.339 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001699024067 1176047664 /nfs/dbraw/zinc/04/76/64/1176047664.db2.gz QERBMUQSMDGMDT-HOCLYGCPSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699750570 1176605905 /nfs/dbraw/zinc/60/59/05/1176605905.db2.gz KUOFFAIXCJLETC-JKSUJKDBSA-N 2 0 291.439 1.463 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001700184670 1176788348 /nfs/dbraw/zinc/78/83/48/1176788348.db2.gz NJGHJSFRVOQLQJ-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH+](C)[C@H](C)CNC(=O)CC[N@@H+](C)CCC ZINC001700483857 1176972594 /nfs/dbraw/zinc/97/25/94/1176972594.db2.gz TXXKONVAIQVQIU-CQSZACIVSA-N 2 0 267.417 1.178 10 30 CDEERP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001700669052 1177068155 /nfs/dbraw/zinc/06/81/55/1177068155.db2.gz IHAXBQHUBYQYBC-QWHCGFSZSA-N 2 0 287.835 1.708 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001707392208 1178011977 /nfs/dbraw/zinc/01/19/77/1178011977.db2.gz JNFXEVUOSHCUOP-UHFFFAOYSA-N 2 0 265.401 1.239 10 30 CDEERP C#CCC[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001707417043 1178033597 /nfs/dbraw/zinc/03/35/97/1178033597.db2.gz DGONNJIUTVAZQO-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001713055012 1178334533 /nfs/dbraw/zinc/33/45/33/1178334533.db2.gz CELKEWREAMBTAM-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001713174867 1178413648 /nfs/dbraw/zinc/41/36/48/1178413648.db2.gz IVYZOYDWRLNRPE-IHRRRGAJSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001713518013 1178619982 /nfs/dbraw/zinc/61/99/82/1178619982.db2.gz TYPMSFSEJWIEKP-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)CC[NH+](C)C)C(C)C ZINC001713692764 1178712853 /nfs/dbraw/zinc/71/28/53/1178712853.db2.gz HFYQYMSWXMVGTB-UHFFFAOYSA-N 2 0 267.417 1.178 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713750580 1178738653 /nfs/dbraw/zinc/73/86/53/1178738653.db2.gz BNJLLAQWHZOBQK-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001713793619 1178755921 /nfs/dbraw/zinc/75/59/21/1178755921.db2.gz RIAJQFSJBVRLTC-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C#CCC[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713916995 1178844497 /nfs/dbraw/zinc/84/44/97/1178844497.db2.gz FKFIYUBVQPCZFL-UHFFFAOYSA-N 2 0 279.428 1.036 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714013571 1178927379 /nfs/dbraw/zinc/92/73/79/1178927379.db2.gz NRNRHCJVJMRLSN-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714078072 1178964149 /nfs/dbraw/zinc/96/41/49/1178964149.db2.gz AQULLBDXGSKIDH-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)CCc2nccn2C)CCCC1 ZINC001714499734 1179172282 /nfs/dbraw/zinc/17/22/82/1179172282.db2.gz CYZSHBLJLVTJTR-UHFFFAOYSA-N 2 0 288.395 1.005 10 30 CDEERP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001714519395 1179178575 /nfs/dbraw/zinc/17/85/75/1179178575.db2.gz CSPBZGVKGPAAJW-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001714727701 1179361495 /nfs/dbraw/zinc/36/14/95/1179361495.db2.gz NHQGESMKDYKZMM-UHFFFAOYSA-N 2 0 286.379 1.880 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714931504 1179460245 /nfs/dbraw/zinc/46/02/45/1179460245.db2.gz ARYGNAQLFQTGMG-HZPDHXFCSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001715126723 1179560427 /nfs/dbraw/zinc/56/04/27/1179560427.db2.gz GWLXEAWGCMQDRC-GDBMZVCRSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CCCCC1 ZINC001715404387 1179658581 /nfs/dbraw/zinc/65/85/81/1179658581.db2.gz KDMXQAIMOPXDJP-INIZCTEOSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[N@@H+](C)CCC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001715476510 1179676308 /nfs/dbraw/zinc/67/63/08/1179676308.db2.gz OCCIBXKAPLLPCK-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001715572855 1179721640 /nfs/dbraw/zinc/72/16/40/1179721640.db2.gz VCLOXSXRPRQTLD-CABCVRRESA-N 2 0 291.439 1.369 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001715655148 1179754699 /nfs/dbraw/zinc/75/46/99/1179754699.db2.gz KSXJRPYGFKGSGG-LBPRGKRZSA-N 2 0 287.835 1.708 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC(=C)C)CC1 ZINC001715710735 1179771224 /nfs/dbraw/zinc/77/12/24/1179771224.db2.gz XQZWDVHOWXBHQT-OAHLLOKOSA-N 2 0 291.439 1.392 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001715977677 1179958531 /nfs/dbraw/zinc/95/85/31/1179958531.db2.gz PAUNJBGWVOHGPS-UHFFFAOYSA-N 2 0 297.443 1.064 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001715983983 1179963766 /nfs/dbraw/zinc/96/37/66/1179963766.db2.gz SEOOCWHXRCJPJN-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001716400150 1180186283 /nfs/dbraw/zinc/18/62/83/1180186283.db2.gz XNMWYQYNKZNOML-HIFRSBDPSA-N 2 0 279.428 1.674 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001716497610 1180255426 /nfs/dbraw/zinc/25/54/26/1180255426.db2.gz MQZHAZHMCQRIQI-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001716687512 1180369289 /nfs/dbraw/zinc/36/92/89/1180369289.db2.gz WJXWSHVIYDFXJJ-UHFFFAOYSA-N 2 0 291.439 1.819 10 30 CDEERP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001717210269 1180575045 /nfs/dbraw/zinc/57/50/45/1180575045.db2.gz DIHDGEKKUCCHLG-GJZGRUSLSA-N 2 0 279.428 1.130 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001717303229 1180611287 /nfs/dbraw/zinc/61/12/87/1180611287.db2.gz HLBULEZWEOVIOH-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001717472730 1180692911 /nfs/dbraw/zinc/69/29/11/1180692911.db2.gz QNHLLPMUQLAWJK-KGLIPLIRSA-N 2 0 267.417 1.482 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001717722147 1180807644 /nfs/dbraw/zinc/80/76/44/1180807644.db2.gz DNFLUDUKVBJVHK-HUUCEWRRSA-N 2 0 279.428 1.082 10 30 CDEERP C#CCC[N@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001718022104 1180972668 /nfs/dbraw/zinc/97/26/68/1180972668.db2.gz JHCFTCVOUGLZIM-UHFFFAOYSA-N 2 0 289.423 1.242 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001723485409 1181576352 /nfs/dbraw/zinc/57/63/52/1181576352.db2.gz XBLMGVAZKLABES-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001723939163 1181625213 /nfs/dbraw/zinc/62/52/13/1181625213.db2.gz CMFJPDLIGGSTTJ-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001724556359 1181694811 /nfs/dbraw/zinc/69/48/11/1181694811.db2.gz XRVKZELHAWGRAY-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001724556738 1181694991 /nfs/dbraw/zinc/69/49/91/1181694991.db2.gz YZMBJZSYGONCPQ-KGLIPLIRSA-N 2 0 277.412 1.095 10 30 CDEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001725385091 1181983536 /nfs/dbraw/zinc/98/35/36/1181983536.db2.gz AHGCGFZLIGFZBF-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001725658367 1182089544 /nfs/dbraw/zinc/08/95/44/1182089544.db2.gz MCORINNHUBIZBC-HUUCEWRRSA-N 2 0 291.439 1.533 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001731296920 1182300802 /nfs/dbraw/zinc/30/08/02/1182300802.db2.gz YNIOHTNDLPLRLM-GJZGRUSLSA-N 2 0 291.439 1.627 10 30 CDEERP C=C(C)C[NH+](CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001731338203 1182326738 /nfs/dbraw/zinc/32/67/38/1182326738.db2.gz UPPXSVQJDXJYSF-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001731531914 1182437291 /nfs/dbraw/zinc/43/72/91/1182437291.db2.gz ZTSPUVZLFIWYIC-AWEZNQCLSA-N 2 0 265.401 1.096 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001731710260 1182526853 /nfs/dbraw/zinc/52/68/53/1182526853.db2.gz DZHKHPYEVOELDS-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001731710762 1182527213 /nfs/dbraw/zinc/52/72/13/1182527213.db2.gz KKGRIWKMXPUMCH-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001731727585 1182535853 /nfs/dbraw/zinc/53/58/53/1182535853.db2.gz QSQGDYLXFWOZAO-HZSPNIEDSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001731960500 1182700419 /nfs/dbraw/zinc/70/04/19/1182700419.db2.gz BHYFDDHXJBMNRX-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001732216403 1182863920 /nfs/dbraw/zinc/86/39/20/1182863920.db2.gz CBYVWWXUKFPOEJ-INIZCTEOSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001732958823 1183205405 /nfs/dbraw/zinc/20/54/05/1183205405.db2.gz SAPFMKSOPVUYQZ-UKRRQHHQSA-N 2 0 277.412 1.121 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001733182854 1183321434 /nfs/dbraw/zinc/32/14/34/1183321434.db2.gz AWGKDVCOUFMXHR-HOCLYGCPSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001733251137 1183370284 /nfs/dbraw/zinc/37/02/84/1183370284.db2.gz UQTMSTIHHWDNSH-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001733296753 1183381623 /nfs/dbraw/zinc/38/16/23/1183381623.db2.gz JGYYZGUMUNQGPX-QGZVFWFLSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001733410668 1183424467 /nfs/dbraw/zinc/42/44/67/1183424467.db2.gz JDLLJFOYLGARLD-HOCLYGCPSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001733412959 1183425711 /nfs/dbraw/zinc/42/57/11/1183425711.db2.gz PPQQOHJZMDHVPQ-MRXNPFEDSA-N 2 0 291.439 1.629 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001733901205 1183563128 /nfs/dbraw/zinc/56/31/28/1183563128.db2.gz NGKCJBZNSFVSEI-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)CCn1ccnc1 ZINC001734047664 1183634165 /nfs/dbraw/zinc/63/41/65/1183634165.db2.gz KEJLOLPDCDOMHJ-AWEZNQCLSA-N 2 0 278.400 1.676 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001734463443 1183786800 /nfs/dbraw/zinc/78/68/00/1183786800.db2.gz WFCJMGKYXLNOIJ-KBPBESRZSA-N 2 0 279.428 1.483 10 30 CDEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001734579657 1183833129 /nfs/dbraw/zinc/83/31/29/1183833129.db2.gz HCEUQAQRPTYYCC-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001622172117 1165718132 /nfs/dbraw/zinc/71/81/32/1165718132.db2.gz PXXWBKOLKHIYQP-ZIAGYGMSSA-N 2 0 265.401 1.047 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC(=C)Cl)CC1 ZINC000876754082 1165909051 /nfs/dbraw/zinc/90/90/51/1165909051.db2.gz BIJDIKTYZOPIEF-LBPRGKRZSA-N 2 0 271.792 1.223 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000876775104 1165912535 /nfs/dbraw/zinc/91/25/35/1165912535.db2.gz OIBSKEMTDZDXAV-VXGBXAGGSA-N 2 0 273.808 1.257 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000876833005 1165924042 /nfs/dbraw/zinc/92/40/42/1165924042.db2.gz KKZLEIIBKIRIMZ-DCAQKATOSA-N 2 0 259.781 1.042 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000876939565 1165943989 /nfs/dbraw/zinc/94/39/89/1165943989.db2.gz HVRCDARDLPIZBR-GFCCVEGCSA-N 2 0 273.808 1.257 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000876979555 1165953165 /nfs/dbraw/zinc/95/31/65/1165953165.db2.gz JYDZVTFDEZHTSR-KGLIPLIRSA-N 2 0 299.846 1.695 10 30 CDEERP CCCCCCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710609 796844926 /nfs/dbraw/zinc/84/49/26/796844926.db2.gz ZUBNFKGCNXDUPJ-ZNMIVQPWSA-N 2 0 295.427 1.824 10 30 CDEERP C#C[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCOCC1 ZINC000827555416 797498362 /nfs/dbraw/zinc/49/83/62/797498362.db2.gz TVHUALZJXTUWQL-KRWDZBQOSA-N 2 0 296.374 1.785 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000876774601 797849508 /nfs/dbraw/zinc/84/95/08/797849508.db2.gz AWZZBSPAOFLNGD-KGLIPLIRSA-N 2 0 299.846 1.647 10 30 CDEERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852855812 797875577 /nfs/dbraw/zinc/87/55/77/797875577.db2.gz ORIMSGZDYSMDKE-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)C ZINC001565994245 1168209109 /nfs/dbraw/zinc/20/91/09/1168209109.db2.gz CIRIZZXFAFQLMO-VNQPRFMTSA-N 2 0 293.455 1.729 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001567218231 1168625327 /nfs/dbraw/zinc/62/53/27/1168625327.db2.gz GUAFGSKKMKDTLW-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CCCC)CC1 ZINC001567240198 1168635456 /nfs/dbraw/zinc/63/54/56/1168635456.db2.gz GFBSISDPWZOQCW-OAHLLOKOSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001567301530 1168667367 /nfs/dbraw/zinc/66/73/67/1168667367.db2.gz CFKMUWQDWUSRAX-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+](C)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001567324631 1168679297 /nfs/dbraw/zinc/67/92/97/1168679297.db2.gz WBCNFNYUKYTYHH-OKILXGFUSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001567350708 1168696546 /nfs/dbraw/zinc/69/65/46/1168696546.db2.gz DSGVCBXXMQTGIJ-UHFFFAOYSA-N 2 0 297.443 1.111 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567403535 1168738263 /nfs/dbraw/zinc/73/82/63/1168738263.db2.gz PLPWMYYVYDCLKF-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266361281 894564039 /nfs/dbraw/zinc/56/40/39/894564039.db2.gz KHPVZIVFRQLFPQ-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266638150 895658662 /nfs/dbraw/zinc/65/86/62/895658662.db2.gz JWJSGVBBQSXFLX-AJNGGQMLSA-N 2 0 279.428 1.530 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480898324 896296249 /nfs/dbraw/zinc/29/62/49/896296249.db2.gz LDJNCTRXABIJIC-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCC(=C)C)CC1 ZINC001266993777 896513951 /nfs/dbraw/zinc/51/39/51/896513951.db2.gz FQEMKIJJEWOPIX-HNNXBMFYSA-N 2 0 291.439 1.392 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267296364 897497846 /nfs/dbraw/zinc/49/78/46/897497846.db2.gz MCOOTPVXDRIIDJ-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)CC[NH+](C)CC)C1 ZINC001267489357 898144657 /nfs/dbraw/zinc/14/46/57/898144657.db2.gz XROLPFCBIZYMEJ-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001267493223 898148872 /nfs/dbraw/zinc/14/88/72/898148872.db2.gz DPBZNHIPRBYRIW-HOCLYGCPSA-N 2 0 293.455 1.423 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001480974545 898416045 /nfs/dbraw/zinc/41/60/45/898416045.db2.gz NNWIODQIYABZIS-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480975618 898415754 /nfs/dbraw/zinc/41/57/54/898415754.db2.gz XQPMMEDBYXQABV-HNNXBMFYSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267580411 898515674 /nfs/dbraw/zinc/51/56/74/898515674.db2.gz WMORZCVUJWAMFP-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[N@@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001481356825 900485915 /nfs/dbraw/zinc/48/59/15/900485915.db2.gz KFTNZJQVJMKZEU-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001481452204 900713418 /nfs/dbraw/zinc/71/34/18/900713418.db2.gz KOGHPAVOTDUBGY-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001268229719 901614726 /nfs/dbraw/zinc/61/47/26/901614726.db2.gz XMAFFGLTQCRXHG-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001268426009 902042526 /nfs/dbraw/zinc/04/25/26/902042526.db2.gz IHOASYQGTOUSKU-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001268547971 902547081 /nfs/dbraw/zinc/54/70/81/902547081.db2.gz IZRDWGZQXZQPSQ-NNTXTVRGSA-N 2 0 299.846 1.875 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001268770943 903110247 /nfs/dbraw/zinc/11/02/47/903110247.db2.gz LKQHGSWYZCWTMN-CVEARBPZSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001268796847 903139299 /nfs/dbraw/zinc/13/92/99/903139299.db2.gz YNRRNCXOWJZREJ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)C[NH+](CC)CC ZINC001268947645 903274880 /nfs/dbraw/zinc/27/48/80/903274880.db2.gz XCIJKQGGTYTBPG-MELADBBJSA-N 2 0 283.391 1.137 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001269331442 903701582 /nfs/dbraw/zinc/70/15/82/903701582.db2.gz KHHYUCHXENCRFT-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP CC[NH+]=C(NC1CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261968285 904628761 /nfs/dbraw/zinc/62/87/61/904628761.db2.gz MAEGZJWTEBLUBV-BXUZGUMPSA-N 2 0 264.417 1.577 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001271521674 906498403 /nfs/dbraw/zinc/49/84/03/906498403.db2.gz QWIKDIGMZLQNNL-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CNC(=[NH2+])NCC1CC[NH+](CCC)CC1 ZINC000303864918 906678012 /nfs/dbraw/zinc/67/80/12/906678012.db2.gz BIFNGBLKJBLJNF-UHFFFAOYSA-N 2 0 252.406 1.589 10 30 CDEERP C=CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482833072 908411080 /nfs/dbraw/zinc/41/10/80/908411080.db2.gz LGNXKNIGKXDQOW-GDBMZVCRSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CCC)C1 ZINC001567944370 1169086210 /nfs/dbraw/zinc/08/62/10/1169086210.db2.gz SDZXFVJCMFVUFY-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP N#Cc1cccc(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000060979328 912017885 /nfs/dbraw/zinc/01/78/85/912017885.db2.gz UNYHHNIWFFNNLC-UHFFFAOYSA-N 2 0 273.380 1.760 10 30 CDEERP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001484385311 915703190 /nfs/dbraw/zinc/70/31/90/915703190.db2.gz XWZSPUSONDPXSJ-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484549585 915876561 /nfs/dbraw/zinc/87/65/61/915876561.db2.gz KWMGFBKYIDJKKV-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001484619685 915958870 /nfs/dbraw/zinc/95/88/70/915958870.db2.gz QTDXZNQUWGZQIH-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001485073750 916472296 /nfs/dbraw/zinc/47/22/96/916472296.db2.gz OSJKDDFHMBDDQR-MRXNPFEDSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001568198033 1169172423 /nfs/dbraw/zinc/17/24/23/1169172423.db2.gz FWAVLQNWMFUAOM-CQSZACIVSA-N 2 0 289.423 1.890 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485164186 916620355 /nfs/dbraw/zinc/62/03/55/916620355.db2.gz ROKKACIVFKQLQP-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485165716 916621175 /nfs/dbraw/zinc/62/11/75/916621175.db2.gz YSZBSZOEBGBTOP-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485307913 916790124 /nfs/dbraw/zinc/79/01/24/916790124.db2.gz SJOZIZCEINVOBB-BFHYXJOUSA-N 2 0 267.417 1.339 10 30 CDEERP C=CCCC[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485351582 916870491 /nfs/dbraw/zinc/87/04/91/916870491.db2.gz VGZCHOGLVGOWAL-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001485576002 917118260 /nfs/dbraw/zinc/11/82/60/917118260.db2.gz AMNCBCCNDMEYAQ-CQSZACIVSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485733095 917227545 /nfs/dbraw/zinc/22/75/45/917227545.db2.gz UEHSSADSUQMRKH-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C[NH+](C)CC1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCCC1 ZINC000183646145 917480022 /nfs/dbraw/zinc/48/00/22/917480022.db2.gz HKZMXUZFQYVXAW-ZDUSSCGKSA-N 2 0 282.432 1.192 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001568246413 1169195934 /nfs/dbraw/zinc/19/59/34/1169195934.db2.gz IVILAPNTRHUTLA-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP CN1CC[NH+](CCCC[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921526933 918976209 /nfs/dbraw/zinc/97/62/09/918976209.db2.gz KDBRJKPHEKCYMP-UHFFFAOYSA-N 2 0 292.452 1.737 10 30 CDEERP N#Cc1ccc(CC[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923451504 923844704 /nfs/dbraw/zinc/84/47/04/923844704.db2.gz LPFGKIRXHJFUPL-QGZVFWFLSA-N 2 0 299.418 1.931 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001491478788 936922803 /nfs/dbraw/zinc/92/28/03/936922803.db2.gz SQIHABKQLFRUDJ-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273298652 925761767 /nfs/dbraw/zinc/76/17/67/925761767.db2.gz UKBNOYSAGADTKW-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001494877887 925980497 /nfs/dbraw/zinc/98/04/97/925980497.db2.gz YFGJLCUHVPIFQB-OAHLLOKOSA-N 2 0 277.412 1.028 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001488779700 926690065 /nfs/dbraw/zinc/69/00/65/926690065.db2.gz LRDUDBYPZQGFGY-IYBDPMFKSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001489134314 926807237 /nfs/dbraw/zinc/80/72/37/926807237.db2.gz SXPMUAAKGNVDGI-ZNMIVQPWSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCC[NH2+]1 ZINC000852893384 927910263 /nfs/dbraw/zinc/91/02/63/927910263.db2.gz UXDRISHVTOTRDG-HUUCEWRRSA-N 2 0 263.385 1.039 10 30 CDEERP C[NH2+]Cc1ccccc1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852895782 927910991 /nfs/dbraw/zinc/91/09/91/927910991.db2.gz JHPRNWKFWRYGRK-UHFFFAOYSA-N 2 0 285.391 1.025 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001568486218 1169322717 /nfs/dbraw/zinc/32/27/17/1169322717.db2.gz VCOKLUROVNYTSC-CHWSQXEVSA-N 2 0 276.384 1.480 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001274633433 931527102 /nfs/dbraw/zinc/52/71/02/931527102.db2.gz JWTOOSDJSGPGTP-KBPBESRZSA-N 2 0 277.412 1.073 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001275246976 931713975 /nfs/dbraw/zinc/71/39/75/931713975.db2.gz UZZVGMPVKRXXBJ-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001275659546 931938609 /nfs/dbraw/zinc/93/86/09/931938609.db2.gz XTRQUQIKPPPPCX-STQMWFEESA-N 2 0 255.406 1.339 10 30 CDEERP CC1(C)[C@@H]([NH2+]C2CCN(CC#N)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925607500 932913002 /nfs/dbraw/zinc/91/30/02/932913002.db2.gz BZLWSFXLOSNYSE-ILXRZTDVSA-N 2 0 276.428 1.341 10 30 CDEERP C=CCOCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925633434 932919102 /nfs/dbraw/zinc/91/91/02/932919102.db2.gz WJCMGCOCVXLJFD-GJZGRUSLSA-N 2 0 252.402 1.947 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858469 932946771 /nfs/dbraw/zinc/94/67/71/932946771.db2.gz SSFUJTBSLYURJU-STQMWFEESA-N 2 0 266.385 1.616 10 30 CDEERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC2CC2)C1 ZINC000305213341 935115159 /nfs/dbraw/zinc/11/51/59/935115159.db2.gz QJJIYHZXDNKZBB-LBPRGKRZSA-N 2 0 252.406 1.421 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@]12CCC[NH2+]C2 ZINC001122509396 937938189 /nfs/dbraw/zinc/93/81/89/937938189.db2.gz WKUMMRFHAQWDGO-GDBMZVCRSA-N 2 0 279.428 1.805 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001276648129 940597749 /nfs/dbraw/zinc/59/77/49/940597749.db2.gz GZHRRQWGRPSUOL-AWEZNQCLSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001276656373 940615136 /nfs/dbraw/zinc/61/51/36/940615136.db2.gz NUMDVVTURKTKQO-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001277007851 941808140 /nfs/dbraw/zinc/80/81/40/941808140.db2.gz HLEPRIOQLUVXND-JYJNAYRXSA-N 2 0 291.439 1.224 10 30 CDEERP CC#CC[N@H+](C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001277442014 942579433 /nfs/dbraw/zinc/57/94/33/942579433.db2.gz XLNAYWNEEVLMFL-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001281950376 942635752 /nfs/dbraw/zinc/63/57/52/942635752.db2.gz AEBKOZOEIRHTHK-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001282399495 942706736 /nfs/dbraw/zinc/70/67/36/942706736.db2.gz SPHBXOAYYQESPB-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001283665298 942962873 /nfs/dbraw/zinc/96/28/73/942962873.db2.gz TYHVNILWBNJCQF-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001284153476 943090549 /nfs/dbraw/zinc/09/05/49/943090549.db2.gz KZFFPGJOMHEDEB-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001277684224 943332150 /nfs/dbraw/zinc/33/21/50/943332150.db2.gz FIWWLKOIYBVNMU-HNNXBMFYSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001263864003 944012521 /nfs/dbraw/zinc/01/25/21/944012521.db2.gz LDFTVPRJSXLAAT-JOCQHMNTSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1CC ZINC001264061586 944070685 /nfs/dbraw/zinc/07/06/85/944070685.db2.gz DSIZKJACTRCSJB-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001331293164 944075506 /nfs/dbraw/zinc/07/55/06/944075506.db2.gz AQAUNMLMFREAOL-LSDHHAIUSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001264376239 944120167 /nfs/dbraw/zinc/12/01/67/944120167.db2.gz FKDSOQYNJIROBJ-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001265572249 944432573 /nfs/dbraw/zinc/43/25/73/944432573.db2.gz BWPXJNARQYVROJ-ZNMIVQPWSA-N 2 0 277.412 1.121 10 30 CDEERP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001265655967 944459068 /nfs/dbraw/zinc/45/90/68/944459068.db2.gz SUDGAQYZWWPKCE-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001265682773 944467929 /nfs/dbraw/zinc/46/79/29/944467929.db2.gz YESYHEXTCALKGP-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001277981652 944470874 /nfs/dbraw/zinc/47/08/74/944470874.db2.gz OBTUBKQRRHNPEA-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001265688651 944471104 /nfs/dbraw/zinc/47/11/04/944471104.db2.gz YYUNHPNLURYRBM-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001266195647 944745436 /nfs/dbraw/zinc/74/54/36/944745436.db2.gz XREPJKQKEFAVGO-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001278313916 945852785 /nfs/dbraw/zinc/85/27/85/945852785.db2.gz ACMVOUIRJQGWFZ-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001479894904 971471110 /nfs/dbraw/zinc/47/11/10/971471110.db2.gz IZOFUKITSUUEKW-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP CCCN(CC[NH+](CC)CC)C(=O)NCC#CC[NH+](C)C ZINC001256585808 948355574 /nfs/dbraw/zinc/35/55/74/948355574.db2.gz VDTGJABOWLBULB-UHFFFAOYSA-N 2 0 296.459 1.315 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001569022693 1169601258 /nfs/dbraw/zinc/60/12/58/1169601258.db2.gz VBJJXOSBLPRBQY-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480291308 971660944 /nfs/dbraw/zinc/66/09/44/971660944.db2.gz FYDGPMOHZARRIW-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001480356897 971685336 /nfs/dbraw/zinc/68/53/36/971685336.db2.gz KXSREZRLUDRTGH-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001480462858 971741765 /nfs/dbraw/zinc/74/17/65/971741765.db2.gz YXJNEQKYGORRED-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001480829872 971898467 /nfs/dbraw/zinc/89/84/67/971898467.db2.gz GIHDYWCONCBREO-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001324735339 953551067 /nfs/dbraw/zinc/55/10/67/953551067.db2.gz FYEAYMQAXZRSKV-GOEBONIOSA-N 2 0 299.434 1.681 10 30 CDEERP C=CC[N@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001324943721 953650289 /nfs/dbraw/zinc/65/02/89/953650289.db2.gz LASXNRDOKNTIQF-MRXNPFEDSA-N 2 0 290.411 1.747 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C(C)C ZINC001493869783 972129899 /nfs/dbraw/zinc/12/98/99/972129899.db2.gz MSQVWYCABXUGKR-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C(C)C ZINC001493869782 972130037 /nfs/dbraw/zinc/13/00/37/972130037.db2.gz MSQVWYCABXUGKR-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001422286967 955914261 /nfs/dbraw/zinc/91/42/61/955914261.db2.gz UGURUXJXHCZFJN-JXQTWKCFSA-N 2 0 299.846 1.708 10 30 CDEERP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001329442853 955919104 /nfs/dbraw/zinc/91/91/04/955919104.db2.gz UMRWXPGQRCTBJR-SOUVJXGZSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001330686519 956566948 /nfs/dbraw/zinc/56/69/48/956566948.db2.gz MAOCASUKHFRFTQ-YHUYYLMFSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001340918446 956760787 /nfs/dbraw/zinc/76/07/87/956760787.db2.gz WDDWDSMAOVLPEU-IHRRRGAJSA-N 2 0 265.401 1.271 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317103995 956960215 /nfs/dbraw/zinc/96/02/15/956960215.db2.gz CFRXBKWUIKHUOQ-BYNSBNAKSA-N 2 0 279.428 1.672 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001317062986 957239270 /nfs/dbraw/zinc/23/92/70/957239270.db2.gz PHYYFPVDQISPJU-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001317884540 957810365 /nfs/dbraw/zinc/81/03/65/957810365.db2.gz SVVUBCRJYBQLEJ-UHFFFAOYSA-N 2 0 279.428 1.130 10 30 CDEERP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001318334102 958043647 /nfs/dbraw/zinc/04/36/47/958043647.db2.gz PWGVJWCTYMFZBS-HZPDHXFCSA-N 2 0 291.439 1.485 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001318406010 958092558 /nfs/dbraw/zinc/09/25/58/958092558.db2.gz BSUDTDYMFDWSHG-HNNXBMFYSA-N 2 0 277.412 1.027 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001333140800 958102313 /nfs/dbraw/zinc/10/23/13/958102313.db2.gz VTWBQYBVFIEZGO-DQPZFDDXSA-N 2 0 289.423 1.075 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001318654325 958215379 /nfs/dbraw/zinc/21/53/79/958215379.db2.gz VVOPFMJQGORJJJ-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001319492148 958593776 /nfs/dbraw/zinc/59/37/76/958593776.db2.gz PVWGZQMDORRQFG-ZDUSSCGKSA-N 2 0 299.378 1.503 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001319560778 958632102 /nfs/dbraw/zinc/63/21/02/958632102.db2.gz OZOGKMUYRVYADF-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001321113220 959601513 /nfs/dbraw/zinc/60/15/13/959601513.db2.gz WZFLUSPDBYCJKB-ARJAWSKDSA-N 2 0 291.439 1.701 10 30 CDEERP C#CC[NH2+]C[C@](C)(NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001495258963 972459568 /nfs/dbraw/zinc/45/95/68/972459568.db2.gz NPVMDKGXPWKUOX-WBVHZDCISA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1CC ZINC001569341283 1169772873 /nfs/dbraw/zinc/77/28/73/1169772873.db2.gz WZVJCTJZTLCDBC-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001322542453 960253180 /nfs/dbraw/zinc/25/31/80/960253180.db2.gz CGCJCYGLOZAXLE-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001322769541 960317588 /nfs/dbraw/zinc/31/75/88/960317588.db2.gz KKPRZZROAFSUAV-UHFFFAOYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001495437152 972499378 /nfs/dbraw/zinc/49/93/78/972499378.db2.gz GQDBEZNULQQVSK-UHFFFAOYSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001324225198 961247500 /nfs/dbraw/zinc/24/75/00/961247500.db2.gz IZMBZGCSLXLFKG-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCNCC(=O)Nc1ccc(-c2nc(C)c(C)[nH]2)cc1 ZINC001344557432 964356149 /nfs/dbraw/zinc/35/61/49/964356149.db2.gz NAMYUGZDSXNZDL-UHFFFAOYSA-N 2 0 282.347 1.855 10 30 CDEERP C=CCC[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC001460886596 969559858 /nfs/dbraw/zinc/55/98/58/969559858.db2.gz OACFBRWLDJOEOD-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC001467728274 970096766 /nfs/dbraw/zinc/09/67/66/970096766.db2.gz COGWPAOULZWOIV-CQSZACIVSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001496057232 972779367 /nfs/dbraw/zinc/77/93/67/972779367.db2.gz XGSBYFGBHCQZKJ-KBPBESRZSA-N 2 0 267.417 1.482 10 30 CDEERP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001500249324 974408905 /nfs/dbraw/zinc/40/89/05/974408905.db2.gz ROVBVTIFCSXYBB-ZBFHGGJFSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCC1 ZINC001502028835 974677217 /nfs/dbraw/zinc/67/72/17/974677217.db2.gz BQSLAOASTOVXKM-UHFFFAOYSA-N 2 0 277.412 1.124 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502970471 974805069 /nfs/dbraw/zinc/80/50/69/974805069.db2.gz RUMPYKLTBFWPCV-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001505521911 974900217 /nfs/dbraw/zinc/90/02/17/974900217.db2.gz NRHMWCPKVMKCBE-UHFFFAOYSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001506158224 975117854 /nfs/dbraw/zinc/11/78/54/975117854.db2.gz FXVLCHNNKKMFCT-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001506751468 975216040 /nfs/dbraw/zinc/21/60/40/975216040.db2.gz VFYPFANMYORFNX-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507152619 975355047 /nfs/dbraw/zinc/35/50/47/975355047.db2.gz DPFJQLVYXZYYLH-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)C ZINC001508040444 975585004 /nfs/dbraw/zinc/58/50/04/975585004.db2.gz WDQFQHVDCNDSHT-AWEZNQCLSA-N 2 0 281.444 1.472 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001390535965 976357842 /nfs/dbraw/zinc/35/78/42/976357842.db2.gz GNUDFMFBYRNZRW-CHWSQXEVSA-N 2 0 287.835 1.708 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001569810047 1170001991 /nfs/dbraw/zinc/00/19/91/1170001991.db2.gz FJMAKOLTILKVQL-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001569855072 1170019085 /nfs/dbraw/zinc/01/90/85/1170019085.db2.gz HYGUBQHXCHQRQL-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001674926391 1174036698 /nfs/dbraw/zinc/03/66/98/1174036698.db2.gz ZEMZKCPMSLYNMV-UKRRQHHQSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001570634650 1170218007 /nfs/dbraw/zinc/21/80/07/1170218007.db2.gz XGJSCBLQMJTVAQ-QWHCGFSZSA-N 2 0 267.417 1.080 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001571357732 1170383387 /nfs/dbraw/zinc/38/33/87/1170383387.db2.gz QSLRRXCMQMIIIS-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001571493993 1170453372 /nfs/dbraw/zinc/45/33/72/1170453372.db2.gz YDBQHEPCGTWFLD-ZIAGYGMSSA-N 2 0 267.417 1.482 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(CC[N@@H+](C)CC)C(C)C)CC1 ZINC001571616362 1170497181 /nfs/dbraw/zinc/49/71/81/1170497181.db2.gz AUQHFFFRKPNTGC-UHFFFAOYSA-N 2 0 293.455 1.520 10 30 CDEERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[C@H]21 ZINC000594443125 342908088 /nfs/dbraw/zinc/90/80/88/342908088.db2.gz LNJVSNAHANEZBM-RBSFLKMASA-N 2 0 292.427 1.340 10 30 CDEERP CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1CC[NH2+]CC1 ZINC000594445923 342908659 /nfs/dbraw/zinc/90/86/59/342908659.db2.gz NQCIAOXCBHCYIV-CQSZACIVSA-N 2 0 280.416 1.388 10 30 CDEERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(C#N)cc1F ZINC000600712480 349876697 /nfs/dbraw/zinc/87/66/97/349876697.db2.gz XQEQWEGKKFBDNK-NSHDSACASA-N 2 0 265.332 1.713 10 30 CDEERP C[C@H]1CN(C)C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809508 346440930 /nfs/dbraw/zinc/44/09/30/346440930.db2.gz DVDZZZAKORASID-BBRMVZONSA-N 2 0 299.422 1.462 10 30 CDEERP COc1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)ccc1C#N ZINC000602020775 350046048 /nfs/dbraw/zinc/04/60/48/350046048.db2.gz NVCOEADJVNEXNO-FZMZJTMJSA-N 2 0 259.353 1.593 10 30 CDEERP C#C[C@H](CO)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001659753434 1172134646 /nfs/dbraw/zinc/13/46/46/1172134646.db2.gz FOMHHDIVBGORCC-MRXNPFEDSA-N 2 0 290.382 1.416 10 30 CDEERP C[N@@H+]1CCC[C@@H]2CN(Cc3ccnc(C#N)c3)CC[C@@H]21 ZINC000166641235 360203219 /nfs/dbraw/zinc/20/32/19/360203219.db2.gz OSSPTQAFQFLIAK-ZBFHGGJFSA-N 2 0 270.380 1.869 10 30 CDEERP C=CCN(CC=C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760780 364852933 /nfs/dbraw/zinc/85/29/33/364852933.db2.gz ADQCXADSWAPERF-UHFFFAOYSA-N 2 0 291.439 1.605 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001661510788 1172399819 /nfs/dbraw/zinc/39/98/19/1172399819.db2.gz JGPJYWSXGVGTIL-KBUPBQIOSA-N 2 0 277.412 1.119 10 30 CDEERP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001662790269 1172594119 /nfs/dbraw/zinc/59/41/19/1172594119.db2.gz FRMHXLBINLLKKT-GJZGRUSLSA-N 2 0 291.439 1.675 10 30 CDEERP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001663040848 1172631889 /nfs/dbraw/zinc/63/18/89/1172631889.db2.gz UUTNEZLTGAOOHJ-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C#N)o1 ZINC000289381553 197321058 /nfs/dbraw/zinc/32/10/58/197321058.db2.gz COWVZTAHQOCNJS-UHFFFAOYSA-N 2 0 276.384 1.221 10 30 CDEERP C#CCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000375840380 391200163 /nfs/dbraw/zinc/20/01/63/391200163.db2.gz PCCDEKRQWAPDJO-MJBXVCDLSA-N 2 0 252.427 1.815 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001663683907 1172745997 /nfs/dbraw/zinc/74/59/97/1172745997.db2.gz KPDJTSNBUGDLHE-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001665681492 1173034896 /nfs/dbraw/zinc/03/48/96/1173034896.db2.gz HZRWMSZSDHLCSC-UONOGXRCSA-N 2 0 267.417 1.291 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[N@@H+](C(C)C)CC2)CCC[NH2+]1 ZINC000662822295 413551162 /nfs/dbraw/zinc/55/11/62/413551162.db2.gz MPBJHWURQYGRKZ-MRXNPFEDSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001665720626 1173048396 /nfs/dbraw/zinc/04/83/96/1173048396.db2.gz LDRDKFWNHLFGPJ-LSDHHAIUSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCC[NH2+]1 ZINC000662835634 413570154 /nfs/dbraw/zinc/57/01/54/413570154.db2.gz QPDQCJPXFXHTHP-HLLBOEOZSA-N 2 0 291.439 1.818 10 30 CDEERP CC[N@H+](CCOC)Cc1ccc(C#CC[NH3+])s1 ZINC000043683916 175092352 /nfs/dbraw/zinc/09/23/52/175092352.db2.gz ZHIXZVFBEXDRHF-UHFFFAOYSA-N 2 0 252.383 1.527 10 30 CDEERP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001666021447 1173101479 /nfs/dbraw/zinc/10/14/79/1173101479.db2.gz DYEOBTNJOWFPLY-GOEBONIOSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001666619533 1173162507 /nfs/dbraw/zinc/16/25/07/1173162507.db2.gz FEISMGQBHUJCSA-AWEZNQCLSA-N 2 0 281.444 1.330 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)CCC[NH+]1CCCCC1 ZINC001669195672 1173517406 /nfs/dbraw/zinc/51/74/06/1173517406.db2.gz SXXGIBQMOUIEBB-AATRIKPKSA-N 2 0 291.439 1.538 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001671805560 1173713287 /nfs/dbraw/zinc/71/32/87/1173713287.db2.gz ULEVGLWJEAFCKL-INIZCTEOSA-N 2 0 279.428 1.180 10 30 CDEERP C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262491138 330017374 /nfs/dbraw/zinc/01/73/74/330017374.db2.gz VAJFBLLSFQVFGG-HZSPNIEDSA-N 2 0 282.432 1.142 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1CC)N[C@@H]1CC1(C)C ZINC000262512766 330018965 /nfs/dbraw/zinc/01/89/65/330018965.db2.gz BUMCILYLXGOOKY-QWHCGFSZSA-N 2 0 266.433 1.824 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482115695 1159984114 /nfs/dbraw/zinc/98/41/14/1159984114.db2.gz OVBAJRXPASACIN-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001700890822 1160072983 /nfs/dbraw/zinc/07/29/83/1160072983.db2.gz XAVQXSXZHZEPJV-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCC1 ZINC001270813915 1160155260 /nfs/dbraw/zinc/15/52/60/1160155260.db2.gz ZFPNYDNRAIUAFC-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)CC[NH+]1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001483893556 1161239516 /nfs/dbraw/zinc/23/95/16/1161239516.db2.gz YPSRDIWVRUXBPV-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485945679 1161446606 /nfs/dbraw/zinc/44/66/06/1161446606.db2.gz YURLWEJZMQKUJU-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001273149018 1161536552 /nfs/dbraw/zinc/53/65/52/1161536552.db2.gz DOFJEQAEECSLLV-HOCLYGCPSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001715701069 1179768769 /nfs/dbraw/zinc/76/87/69/1179768769.db2.gz PQMFAIFJXOCUBF-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C#CC[NH3+])C1 ZINC000049232051 521648701 /nfs/dbraw/zinc/64/87/01/521648701.db2.gz AKUPBPYOBBHOIB-HNNXBMFYSA-N 2 0 285.391 1.211 10 30 CDEERP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCC[C@@H]1C ZINC000049608285 523512340 /nfs/dbraw/zinc/51/23/40/523512340.db2.gz YEIWOFPYOYQBGM-ZDUSSCGKSA-N 2 0 258.365 1.990 10 30 CDEERP [NH3+]CC#Cc1ccc(C[NH+]2CCC(CO)CC2)c(F)c1 ZINC000049608314 527148155 /nfs/dbraw/zinc/14/81/55/527148155.db2.gz WTRVDCOGRNZDSS-UHFFFAOYSA-N 2 0 276.355 1.340 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c(F)c1 ZINC000049608331 527148568 /nfs/dbraw/zinc/14/85/68/527148568.db2.gz WULWEENSFOTXMZ-CQSZACIVSA-N 2 0 276.355 1.340 10 30 CDEERP [NH3+]CC#Cc1cccc(C[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052763115 527151817 /nfs/dbraw/zinc/15/18/17/527151817.db2.gz OZABUSDTEAHSFW-QGZVFWFLSA-N 2 0 272.392 1.734 10 30 CDEERP [NH3+]CC#Cc1cccc(C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000049608682 527152084 /nfs/dbraw/zinc/15/20/84/527152084.db2.gz BRPQIPHOCSAIIS-QGZVFWFLSA-N 2 0 272.392 1.734 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939246926 613351258 /nfs/dbraw/zinc/35/12/58/613351258.db2.gz LVLNLHANQVUPJZ-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[C@@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000895714115 619810885 /nfs/dbraw/zinc/81/08/85/619810885.db2.gz ZAGSGBGCUCCNBV-HNNXBMFYSA-N 2 0 275.396 1.967 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)CC[NH+]1CCCC1 ZINC000900559839 623261051 /nfs/dbraw/zinc/26/10/51/623261051.db2.gz GEZZVXDAYJFMJT-UHFFFAOYSA-N 2 0 253.390 1.049 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000907432712 627665721 /nfs/dbraw/zinc/66/57/21/627665721.db2.gz PYEHMYBXFXAZAQ-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000908575466 628281484 /nfs/dbraw/zinc/28/14/84/628281484.db2.gz OQRUIUUQRYGCNS-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000912285305 629893630 /nfs/dbraw/zinc/89/36/30/629893630.db2.gz VSZXZNHRDVGYEL-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000913722706 630739279 /nfs/dbraw/zinc/73/92/79/630739279.db2.gz SMIGIAPNDCHFKR-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC[C@H](C)F)CC1 ZINC001772517053 1158551187 /nfs/dbraw/zinc/55/11/87/1158551187.db2.gz OBSSDCFJWOYINK-UONOGXRCSA-N 2 0 297.418 1.174 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001724943248 1158886636 /nfs/dbraw/zinc/88/66/36/1158886636.db2.gz DGVNOAOGSASPDB-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC[C@@H](C)F)CC1 ZINC001772517054 1158551394 /nfs/dbraw/zinc/55/13/94/1158551394.db2.gz OBSSDCFJWOYINK-ZIAGYGMSSA-N 2 0 297.418 1.174 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268459108 1159947307 /nfs/dbraw/zinc/94/73/07/1159947307.db2.gz NTGUZIYJWVZJOK-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH+]1CCC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001671044443 1161412416 /nfs/dbraw/zinc/41/24/16/1161412416.db2.gz HJRIBAKGLIEARN-KRWDZBQOSA-N 2 0 291.439 1.276 10 30 CDEERP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(C#N)c1[O-] ZINC000866231324 1164755771 /nfs/dbraw/zinc/75/57/71/1164755771.db2.gz WSZICPWCIXFTTK-CYBMUJFWSA-N 2 0 291.395 1.883 10 30 CDEERP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000867963360 1164887827 /nfs/dbraw/zinc/88/78/27/1164887827.db2.gz FXRCHNMLIUQKHF-GDBMZVCRSA-N 2 0 298.390 1.085 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000876884967 1165934326 /nfs/dbraw/zinc/93/43/26/1165934326.db2.gz IIFOCPKWGAMOIV-AGIUHOORSA-N 2 0 285.819 1.399 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001275593079 1166690274 /nfs/dbraw/zinc/69/02/74/1166690274.db2.gz XTRQUQIKPPPPCX-CHWSQXEVSA-N 2 0 255.406 1.339 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001566723092 1168400811 /nfs/dbraw/zinc/40/08/11/1168400811.db2.gz VXNHJRDWFKBNSS-HZPDHXFCSA-N 2 0 291.439 1.367 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001566909902 1168462767 /nfs/dbraw/zinc/46/27/67/1168462767.db2.gz HWTRLTJPYRNRKV-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001568858149 1169522386 /nfs/dbraw/zinc/52/23/86/1169522386.db2.gz IQPKBPDQQWBRJL-XHPSBEMXSA-N 2 0 277.412 1.146 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001569151898 1169693572 /nfs/dbraw/zinc/69/35/72/1169693572.db2.gz QHFPEECETRJLQB-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001570608078 1170209310 /nfs/dbraw/zinc/20/93/10/1170209310.db2.gz MVWBULZXSSYRDB-KBPBESRZSA-N 2 0 281.444 1.920 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001570747027 1170267084 /nfs/dbraw/zinc/26/70/84/1170267084.db2.gz AXKBTYLJXPNGKG-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001570824898 1170288517 /nfs/dbraw/zinc/28/85/17/1170288517.db2.gz HWUHFBKMPNPSPT-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001661678596 1172425974 /nfs/dbraw/zinc/42/59/74/1172425974.db2.gz OQOKKXJGBITJKH-BETUJISGSA-N 2 0 287.835 1.708 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001664739764 1172902124 /nfs/dbraw/zinc/90/21/24/1172902124.db2.gz CECPJTQXEDELSY-HZPDHXFCSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001665828136 1173068087 /nfs/dbraw/zinc/06/80/87/1173068087.db2.gz JUGPXMSLBOLHBJ-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001665856618 1173074884 /nfs/dbraw/zinc/07/48/84/1173074884.db2.gz QPNPCMMKTNXBNR-HOTGVXAUSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001672448170 1173774362 /nfs/dbraw/zinc/77/43/62/1173774362.db2.gz YFBCEXROQMOARQ-IYBDPMFKSA-N 2 0 293.455 1.683 10 30 CDEERP C#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001675473600 1174117259 /nfs/dbraw/zinc/11/72/59/1174117259.db2.gz OEYOEBKLDCOSHI-AWEZNQCLSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001676757555 1174268414 /nfs/dbraw/zinc/26/84/14/1174268414.db2.gz ZYNTVJRWBXNVEL-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001677306530 1174346426 /nfs/dbraw/zinc/34/64/26/1174346426.db2.gz KUMXBLDYACCRIF-KGLIPLIRSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001689331409 1175146675 /nfs/dbraw/zinc/14/66/75/1175146675.db2.gz CNVHFTJKIJRRLL-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001689878186 1175291876 /nfs/dbraw/zinc/29/18/76/1175291876.db2.gz ZWXSEYADSRHSAJ-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001690453244 1175473329 /nfs/dbraw/zinc/47/33/29/1175473329.db2.gz UNTUCOCHXHUDQC-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001690757444 1175564908 /nfs/dbraw/zinc/56/49/08/1175564908.db2.gz JAGIVCRJKHBJHW-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690788733 1175572567 /nfs/dbraw/zinc/57/25/67/1175572567.db2.gz VJJANIPFTIRPCA-HOTGVXAUSA-N 2 0 291.439 1.513 10 30 CDEERP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001690824796 1175580683 /nfs/dbraw/zinc/58/06/83/1175580683.db2.gz LOBVBJQAKVMAPF-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001692380439 1175755818 /nfs/dbraw/zinc/75/58/18/1175755818.db2.gz TWEALNHJCHHMRJ-PMPSAXMXSA-N 2 0 291.439 1.580 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001692391084 1175758602 /nfs/dbraw/zinc/75/86/02/1175758602.db2.gz QJUWNHBGWAHMGY-OWCLPIDISA-N 2 0 293.455 1.709 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)CC1CC[NH+](C)CC1 ZINC001698619961 1175874862 /nfs/dbraw/zinc/87/48/62/1175874862.db2.gz FKSCZJTVTSIBAF-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001698667844 1175891424 /nfs/dbraw/zinc/89/14/24/1175891424.db2.gz MHTISAQQYZNFSH-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001698767369 1175924895 /nfs/dbraw/zinc/92/48/95/1175924895.db2.gz UNDZRJBFHLOEBZ-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001698825472 1175950873 /nfs/dbraw/zinc/95/08/73/1175950873.db2.gz UMSNWPPHOZVWQP-HZSPNIEDSA-N 2 0 267.417 1.339 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001698860758 1175967655 /nfs/dbraw/zinc/96/76/55/1175967655.db2.gz KSDMJUKIZVEAMM-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001698893722 1175979140 /nfs/dbraw/zinc/97/91/40/1175979140.db2.gz RPNFMBXWGRSCRD-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001698991727 1176022047 /nfs/dbraw/zinc/02/20/47/1176022047.db2.gz UANYCXUNXJHMCO-LSDHHAIUSA-N 2 0 279.428 1.580 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001699184115 1176130292 /nfs/dbraw/zinc/13/02/92/1176130292.db2.gz CXNXGPDJJSMEGA-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699374683 1176332410 /nfs/dbraw/zinc/33/24/10/1176332410.db2.gz QGJPXNMGGUHZKP-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001699582189 1176483155 /nfs/dbraw/zinc/48/31/55/1176483155.db2.gz XUHAGIYPRMWYIB-ZIAGYGMSSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2 ZINC001699977033 1176703427 /nfs/dbraw/zinc/70/34/27/1176703427.db2.gz CDKWCOLYXVUNJZ-MUJYYYPQSA-N 2 0 293.455 1.872 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001700515402 1176989882 /nfs/dbraw/zinc/98/98/82/1176989882.db2.gz DGWRLJZRBBQXAK-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001700544925 1177008550 /nfs/dbraw/zinc/00/85/50/1177008550.db2.gz DAJRQYQGUYBQOA-UONOGXRCSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001700753555 1177115675 /nfs/dbraw/zinc/11/56/75/1177115675.db2.gz XZQSASGUSZPERG-ZFWWWQNUSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001700761366 1177119038 /nfs/dbraw/zinc/11/90/38/1177119038.db2.gz QWARXYVTWYMOBJ-CYBMUJFWSA-N 2 0 298.390 1.716 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCCF)CC1 ZINC001700780397 1177130618 /nfs/dbraw/zinc/13/06/18/1177130618.db2.gz LIPZZSGISPINAM-CQSZACIVSA-N 2 0 297.418 1.128 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001700849099 1177165128 /nfs/dbraw/zinc/16/51/28/1177165128.db2.gz XISXCOGBGHPIMZ-HOCLYGCPSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001700869557 1177172012 /nfs/dbraw/zinc/17/20/12/1177172012.db2.gz VIJUFRJCCAZFKX-GOEBONIOSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001700905004 1177191081 /nfs/dbraw/zinc/19/10/81/1177191081.db2.gz CLHYTKOJQHFBAE-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001700976281 1177221755 /nfs/dbraw/zinc/22/17/55/1177221755.db2.gz NIELHIRYOJCARJ-HNNXBMFYSA-N 2 0 281.444 1.683 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001700993379 1177229602 /nfs/dbraw/zinc/22/96/02/1177229602.db2.gz SGZYUIABPQPINY-STQMWFEESA-N 2 0 269.433 1.633 10 30 CDEERP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001713094096 1178365855 /nfs/dbraw/zinc/36/58/55/1178365855.db2.gz CMKUBUDUJIHICB-AWEZNQCLSA-N 2 0 291.439 1.627 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001713172786 1178412140 /nfs/dbraw/zinc/41/21/40/1178412140.db2.gz GGGLWUMRZZNXDO-QKPAOTATSA-N 2 0 293.455 1.920 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001713199685 1178426113 /nfs/dbraw/zinc/42/61/13/1178426113.db2.gz LKZBFLXVVMTBKS-HRCADAONSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001713512844 1178619190 /nfs/dbraw/zinc/61/91/90/1178619190.db2.gz UBVDEDAHCSSGQS-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001713630366 1178689233 /nfs/dbraw/zinc/68/92/33/1178689233.db2.gz OHJFBCAONHNFGX-UHFFFAOYSA-N 2 0 273.808 1.129 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001713644114 1178693524 /nfs/dbraw/zinc/69/35/24/1178693524.db2.gz WPNFUIDZKPCILW-KGLIPLIRSA-N 2 0 265.401 1.237 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713729347 1178727287 /nfs/dbraw/zinc/72/72/87/1178727287.db2.gz WBPAQHFOQJUGEN-OWCLPIDISA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001713752004 1178737995 /nfs/dbraw/zinc/73/79/95/1178737995.db2.gz HCTPFTBNXWDLHB-HRCADAONSA-N 2 0 293.455 1.683 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001713906169 1178833199 /nfs/dbraw/zinc/83/31/99/1178833199.db2.gz LHZBPNTVOKPRKX-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC(=C)C)CC1 ZINC001714310959 1179080687 /nfs/dbraw/zinc/08/06/87/1179080687.db2.gz WKVBTSLTZJBVRA-AWEZNQCLSA-N 2 0 277.412 1.002 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001714744981 1179370702 /nfs/dbraw/zinc/37/07/02/1179370702.db2.gz GFTOAJNBCGIBPK-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001714933488 1179462018 /nfs/dbraw/zinc/46/20/18/1179462018.db2.gz NQOVGIXXETWAMN-CQSZACIVSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001715122198 1179558898 /nfs/dbraw/zinc/55/88/98/1179558898.db2.gz CTOUUBKFFIGCSK-QGZVFWFLSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715928751 1179922187 /nfs/dbraw/zinc/92/21/87/1179922187.db2.gz XIEHXLNMZLGGEJ-ZIAGYGMSSA-N 2 0 267.417 1.530 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001715952211 1179937655 /nfs/dbraw/zinc/93/76/55/1179937655.db2.gz HUDVGCVPACDNFD-CQSZACIVSA-N 2 0 297.443 1.158 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001716195372 1180092367 /nfs/dbraw/zinc/09/23/67/1180092367.db2.gz FAQZPFWSFLDJNS-HUUCEWRRSA-N 2 0 297.443 1.015 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001717205313 1180572585 /nfs/dbraw/zinc/57/25/85/1180572585.db2.gz DPXRBKJXUBVSLT-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001717337804 1180621999 /nfs/dbraw/zinc/62/19/99/1180621999.db2.gz ZWLREJUFXARJKZ-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001717356797 1180626457 /nfs/dbraw/zinc/62/64/57/1180626457.db2.gz MELBEAKGEUDXEO-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001717530138 1180724102 /nfs/dbraw/zinc/72/41/02/1180724102.db2.gz IULWLGMMADAVCS-JKSUJKDBSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001717605755 1180756193 /nfs/dbraw/zinc/75/61/93/1180756193.db2.gz NWNRFOWDKZMHNT-QKDCVEJESA-N 2 0 279.428 1.198 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001717686386 1180790597 /nfs/dbraw/zinc/79/05/97/1180790597.db2.gz BHSCIQGVPZQQCW-HOTGVXAUSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001717745144 1180823270 /nfs/dbraw/zinc/82/32/70/1180823270.db2.gz PRRLZYFARLPECK-GJZGRUSLSA-N 2 0 279.428 1.319 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001717966077 1180950858 /nfs/dbraw/zinc/95/08/58/1180950858.db2.gz BNHIJJKFGSRJBA-ZDUSSCGKSA-N 2 0 267.417 1.082 10 30 CDEERP C#CCC[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001723722363 1181595846 /nfs/dbraw/zinc/59/58/46/1181595846.db2.gz VFSZDUBEXMTQRI-KRWDZBQOSA-N 2 0 291.439 1.276 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001723930524 1181623450 /nfs/dbraw/zinc/62/34/50/1181623450.db2.gz PRQCOMLGGVYLDC-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001724174393 1181648172 /nfs/dbraw/zinc/64/81/72/1181648172.db2.gz HVYHLMSJXVALIN-MRXNPFEDSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001725266106 1181944880 /nfs/dbraw/zinc/94/48/80/1181944880.db2.gz GMZPTXJNWYGPKH-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001725311677 1181959233 /nfs/dbraw/zinc/95/92/33/1181959233.db2.gz OOGSZNONQIJVJK-PHZGNYQRSA-N 2 0 291.439 1.198 10 30 CDEERP C=CC[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001725733873 1182115430 /nfs/dbraw/zinc/11/54/30/1182115430.db2.gz UZXVAYWAQYYIPJ-AWEZNQCLSA-N 2 0 267.417 1.293 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001731397673 1182359456 /nfs/dbraw/zinc/35/94/56/1182359456.db2.gz URRIAVNHWSIIHE-KBPBESRZSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001731434662 1182382385 /nfs/dbraw/zinc/38/23/85/1182382385.db2.gz JXEPLZNTSCMRCN-JYJNAYRXSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001731651604 1182502452 /nfs/dbraw/zinc/50/24/52/1182502452.db2.gz GCSNMDCRAJQNFP-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001731698476 1182521679 /nfs/dbraw/zinc/52/16/79/1182521679.db2.gz IJPCDZRTQBOKRP-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001731791873 1182582589 /nfs/dbraw/zinc/58/25/89/1182582589.db2.gz MOSBNKUBBWFITK-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001731961457 1182702356 /nfs/dbraw/zinc/70/23/56/1182702356.db2.gz PLHVFHMWGRXMBK-ZIAGYGMSSA-N 2 0 299.846 1.804 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001732207950 1182858149 /nfs/dbraw/zinc/85/81/49/1182858149.db2.gz ZBPGAXAUNVNZRD-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001732387346 1182940880 /nfs/dbraw/zinc/94/08/80/1182940880.db2.gz PMWDPYGCJFSBRO-HNNXBMFYSA-N 2 0 297.443 1.111 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CCC)C1CCCCC1 ZINC001732478929 1182983342 /nfs/dbraw/zinc/98/33/42/1182983342.db2.gz XBYKLQIIISEHHX-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001732576949 1183019614 /nfs/dbraw/zinc/01/96/14/1183019614.db2.gz SWDABGOVTBZNLY-MRXNPFEDSA-N 2 0 293.455 1.470 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001732754155 1183109633 /nfs/dbraw/zinc/10/96/33/1183109633.db2.gz KGXPKDJXIQNREH-CQSZACIVSA-N 2 0 267.417 1.533 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001733012884 1183237450 /nfs/dbraw/zinc/23/74/50/1183237450.db2.gz FEKFLLXVXWPJRS-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001733106318 1183292966 /nfs/dbraw/zinc/29/29/66/1183292966.db2.gz DSVGWVWUXLNFQY-UHFFFAOYSA-N 2 0 291.439 1.324 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCC1 ZINC001733381834 1183414410 /nfs/dbraw/zinc/41/44/10/1183414410.db2.gz SBQOZEGDVHVTED-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001733901202 1183563238 /nfs/dbraw/zinc/56/32/38/1183563238.db2.gz NGKCJBZNSFVSEI-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001733976123 1183596694 /nfs/dbraw/zinc/59/66/94/1183596694.db2.gz BTJCPRJUAOHZLC-KBPBESRZSA-N 2 0 293.455 1.755 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001734093271 1183654858 /nfs/dbraw/zinc/65/48/58/1183654858.db2.gz IOUOUIGDKPXRTR-HZPDHXFCSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001734451308 1183782070 /nfs/dbraw/zinc/78/20/70/1183782070.db2.gz WPJWCOLVZLSUBJ-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001734458139 1183786163 /nfs/dbraw/zinc/78/61/63/1183786163.db2.gz KSDVNGVLNBAZFK-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261982013 805054770 /nfs/dbraw/zinc/05/47/70/805054770.db2.gz PAZWCBVCOOBEAD-XKAARJIMSA-N 2 0 250.390 1.043 10 30 CDEERP C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261973919 811137638 /nfs/dbraw/zinc/13/76/38/811137638.db2.gz NHIYDCVCSIIIID-ZIAGYGMSSA-N 2 0 296.459 1.185 10 30 CDEERP CC(C)CN(CC[NH+](C)C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852882459 811333923 /nfs/dbraw/zinc/33/39/23/811333923.db2.gz HRZGHGKSTPRZPB-UHFFFAOYSA-N 2 0 279.428 1.036 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000876838481 811778264 /nfs/dbraw/zinc/77/82/64/811778264.db2.gz KMTFYUXQOSLJND-WDEREUQCSA-N 2 0 259.781 1.044 10 30 CDEERP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+]1CCCC[C@H]1C ZINC000852859337 811800996 /nfs/dbraw/zinc/80/09/96/811800996.db2.gz SARHSNXAXIKYOK-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[C@H](O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923443047 811861442 /nfs/dbraw/zinc/86/14/42/811861442.db2.gz RXESPEHADBVPCE-KBPBESRZSA-N 2 0 268.401 1.143 10 30 CDEERP C=C[C@](C)(CC)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019742 811887222 /nfs/dbraw/zinc/88/72/22/811887222.db2.gz OGKKCFDQIQITEJ-BFYDXBDKSA-N 2 0 295.471 1.787 10 30 CDEERP Cc1c[nH+]ccc1[N-][NH+]=Cc1cnc(N(C)C)n1C ZINC000863157670 812504238 /nfs/dbraw/zinc/50/42/38/812504238.db2.gz FNYVFVMVNVHLBA-UHFFFAOYSA-N 2 0 258.329 1.057 10 30 CDEERP C=CC[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000879032045 812641280 /nfs/dbraw/zinc/64/12/80/812641280.db2.gz IYKHMZUIJKXTBU-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCNC(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248454 812681296 /nfs/dbraw/zinc/68/12/96/812681296.db2.gz PBOLBFWNFPJXQN-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000876884971 812800019 /nfs/dbraw/zinc/80/00/19/812800019.db2.gz IIFOCPKWGAMOIV-FRRDWIJNSA-N 2 0 285.819 1.399 10 30 CDEERP C#CCCN(CCOC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000827826483 813634850 /nfs/dbraw/zinc/63/48/50/813634850.db2.gz HEUJGMBHOWWZJG-UHFFFAOYSA-N 2 0 284.363 1.739 10 30 CDEERP CCC[NH+]1CCC(CNC(=[NH2+])Nc2ccccn2)CC1 ZINC000170909684 813942017 /nfs/dbraw/zinc/94/20/17/813942017.db2.gz WZOVVCLEKWYJTN-UHFFFAOYSA-N 2 0 275.400 1.930 10 30 CDEERP CN(C)c1ccc(C#N)cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000865522717 814558253 /nfs/dbraw/zinc/55/82/53/814558253.db2.gz URRFCVHPLFKPOB-UHFFFAOYSA-N 2 0 284.407 1.976 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)Cn1ccnc1C ZINC000876729756 816784873 /nfs/dbraw/zinc/78/48/73/816784873.db2.gz WJZHJFUILBSXOY-JOYOIKCWSA-N 2 0 284.791 1.414 10 30 CDEERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852884390 816846546 /nfs/dbraw/zinc/84/65/46/816846546.db2.gz XBTWECFVUSZISG-AWEZNQCLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCC[NH2+]1 ZINC000852877055 817023522 /nfs/dbraw/zinc/02/35/22/817023522.db2.gz AOZYJECPPCZKND-HZPDHXFCSA-N 2 0 277.412 1.287 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877339240 817737223 /nfs/dbraw/zinc/73/72/23/817737223.db2.gz WBVGIFKXJNFABS-KGLIPLIRSA-N 2 0 293.798 1.287 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000876956985 817859586 /nfs/dbraw/zinc/85/95/86/817859586.db2.gz PWIJKLJODXKTRO-KGLIPLIRSA-N 2 0 299.846 1.695 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001570640726 1167580006 /nfs/dbraw/zinc/58/00/06/1167580006.db2.gz FFQPNIMSINXCHE-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001571408675 1167595127 /nfs/dbraw/zinc/59/51/27/1167595127.db2.gz WHDSDHXBLSJJHZ-CVEARBPZSA-N 2 0 293.455 1.709 10 30 CDEERP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566879708 1168455215 /nfs/dbraw/zinc/45/52/15/1168455215.db2.gz RZVLICKZFDTROR-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001567256655 1168642194 /nfs/dbraw/zinc/64/21/94/1168642194.db2.gz HUYBVLXKHUNLCG-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001567350034 1168696687 /nfs/dbraw/zinc/69/66/87/1168696687.db2.gz BTSJTFUTQXYVSD-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001567402166 1168737668 /nfs/dbraw/zinc/73/76/68/1168737668.db2.gz DDSSTPSLJOREPZ-CABCVRRESA-N 2 0 297.418 1.128 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266252297 893923044 /nfs/dbraw/zinc/92/30/44/893923044.db2.gz QVCOOOQMVCEJIV-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001266957880 896434883 /nfs/dbraw/zinc/43/48/83/896434883.db2.gz ZCICMTBXHLNDSQ-CYBMUJFWSA-N 2 0 299.378 1.551 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267022396 896580621 /nfs/dbraw/zinc/58/06/21/896580621.db2.gz HTFYDEPSYNWBEJ-GJZGRUSLSA-N 2 0 291.439 1.627 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001267048531 896631586 /nfs/dbraw/zinc/63/15/86/896631586.db2.gz XUUTZFLTYBEMMR-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001267169791 896992633 /nfs/dbraw/zinc/99/26/33/896992633.db2.gz XGZXMKKORPDWBX-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001272617008 914181552 /nfs/dbraw/zinc/18/15/52/914181552.db2.gz RRZZQJXRMDBADU-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001272625136 914210242 /nfs/dbraw/zinc/21/02/42/914210242.db2.gz SDMRSMJFWSVUBF-HOTGVXAUSA-N 2 0 293.455 1.424 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001267790138 899732428 /nfs/dbraw/zinc/73/24/28/899732428.db2.gz KWPXUYXPRNTULP-CABCVRRESA-N 2 0 290.411 1.943 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001267955741 900064233 /nfs/dbraw/zinc/06/42/33/900064233.db2.gz GETVDFXNEVWVNP-OWCLPIDISA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001268067313 901091105 /nfs/dbraw/zinc/09/11/05/901091105.db2.gz FBWBRSDNROPEKX-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001567743284 1168944192 /nfs/dbraw/zinc/94/41/92/1168944192.db2.gz WPPGMAAXVDLXRU-HNNXBMFYSA-N 2 0 279.428 1.132 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001268142485 901397498 /nfs/dbraw/zinc/39/74/98/901397498.db2.gz QKFGYINUAPSGNY-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001268252813 901672558 /nfs/dbraw/zinc/67/25/58/901672558.db2.gz GQEVBJDLMGOHIF-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001268288115 901753596 /nfs/dbraw/zinc/75/35/96/901753596.db2.gz BFVSFERSZWZURO-LSDHHAIUSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H](CC)[NH+](C)C ZINC001268493631 902377251 /nfs/dbraw/zinc/37/72/51/902377251.db2.gz XETJCZISOOTYFQ-GFCCVEGCSA-N 2 0 275.824 1.517 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)CN(C)Cc1ccccc1 ZINC001268499327 902402310 /nfs/dbraw/zinc/40/23/10/902402310.db2.gz DXVWWMNDMLQFQJ-UHFFFAOYSA-N 2 0 287.407 1.190 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001268670453 902925634 /nfs/dbraw/zinc/92/56/34/902925634.db2.gz APNYCMVZUOKMJM-KGLIPLIRSA-N 2 0 269.433 1.633 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001270194951 904432551 /nfs/dbraw/zinc/43/25/51/904432551.db2.gz YEJSDVYQDHEYLP-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC001270431890 904631380 /nfs/dbraw/zinc/63/13/80/904631380.db2.gz QGXUFXORBWGMMS-ZBFHGGJFSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001270624022 904831587 /nfs/dbraw/zinc/83/15/87/904831587.db2.gz MLEXOBQUJCCWMX-GOEBONIOSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001270991257 905532213 /nfs/dbraw/zinc/53/22/13/905532213.db2.gz MLQLNLZQHRKMHA-HOCLYGCPSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001271007027 905544089 /nfs/dbraw/zinc/54/40/89/905544089.db2.gz HGOWUFWFXGCAPD-NVXWUHKLSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001271836741 906879017 /nfs/dbraw/zinc/87/90/17/906879017.db2.gz CVIBCYCEAIQSQY-LSDHHAIUSA-N 2 0 279.428 1.245 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001271923276 906985391 /nfs/dbraw/zinc/98/53/91/906985391.db2.gz SODRUIGFVXFLGG-ZIAGYGMSSA-N 2 0 267.417 1.080 10 30 CDEERP C=C(C)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482622227 908062423 /nfs/dbraw/zinc/06/24/23/908062423.db2.gz GTFLGURGQPUARZ-GJZGRUSLSA-N 2 0 281.444 1.683 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001567958272 1169095300 /nfs/dbraw/zinc/09/53/00/1169095300.db2.gz LGKZPINBHPHDNL-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483050559 909047654 /nfs/dbraw/zinc/04/76/54/909047654.db2.gz IRPBNLXSWKMORQ-BEWKBBBFSA-N 2 0 277.412 1.002 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1CC ZINC001483623334 911829952 /nfs/dbraw/zinc/82/99/52/911829952.db2.gz IHCKFJQFNVBEEB-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001485192850 916655121 /nfs/dbraw/zinc/65/51/21/916655121.db2.gz XMKTZFGLGYUBAJ-WDEREUQCSA-N 2 0 261.797 1.173 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC2CC2)CC1 ZINC001485388659 916936201 /nfs/dbraw/zinc/93/62/01/916936201.db2.gz OLNHUVILBLEZOV-CQSZACIVSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001485440827 916971684 /nfs/dbraw/zinc/97/16/84/916971684.db2.gz AFBHJSHQNASBFZ-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001485651788 917151477 /nfs/dbraw/zinc/15/14/77/917151477.db2.gz YHASITICNBLBJT-CABCVRRESA-N 2 0 297.443 1.108 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1 ZINC001568241351 1169193695 /nfs/dbraw/zinc/19/36/95/1169193695.db2.gz MXBMWQMXPSNOFE-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[C@H](COC)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001183157168 918347779 /nfs/dbraw/zinc/34/77/79/918347779.db2.gz RFRDOHIFGYKVDY-AQFXKWCLSA-N 2 0 294.439 1.648 10 30 CDEERP C=CCNC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923504230 923886674 /nfs/dbraw/zinc/88/66/74/923886674.db2.gz VMADBJCXANEHHD-GJZGRUSLSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001568411453 1169276390 /nfs/dbraw/zinc/27/63/90/1169276390.db2.gz DTCKVVMHLBANFW-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001490309715 927108037 /nfs/dbraw/zinc/10/80/37/927108037.db2.gz MUTZXESPYYUTDM-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001490664490 927289354 /nfs/dbraw/zinc/28/93/54/927289354.db2.gz KUDHIVLXHYLBHM-SOUVJXGZSA-N 2 0 279.428 1.387 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001490742052 927314898 /nfs/dbraw/zinc/31/48/98/927314898.db2.gz LKASPDXQIOBHJD-CQSZACIVSA-N 2 0 267.417 1.387 10 30 CDEERP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568483056 1169316573 /nfs/dbraw/zinc/31/65/73/1169316573.db2.gz GPRDZXICKBKXQL-LSDHHAIUSA-N 2 0 279.428 1.130 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001274389232 931496277 /nfs/dbraw/zinc/49/62/77/931496277.db2.gz UMRHLKMXXCGQFO-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001276976547 941761888 /nfs/dbraw/zinc/76/18/88/941761888.db2.gz FADBVILBXDQLCU-BZUAXINKSA-N 2 0 291.439 1.367 10 30 CDEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001277039989 941852401 /nfs/dbraw/zinc/85/24/01/941852401.db2.gz OUTQVBYJJWXNBJ-KOMQPUFPSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001277046424 941863716 /nfs/dbraw/zinc/86/37/16/941863716.db2.gz RQIHMTAOQKSUMJ-JYJNAYRXSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001277061141 941893182 /nfs/dbraw/zinc/89/31/82/941893182.db2.gz ZBZIMMQERUUWCI-QWHCGFSZSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001277074982 941916383 /nfs/dbraw/zinc/91/63/83/941916383.db2.gz QCKJRKXCCRABTQ-BZUAXINKSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001277092799 941942259 /nfs/dbraw/zinc/94/22/59/941942259.db2.gz NIRIOQVHECKPCX-JYJNAYRXSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001280480223 942450192 /nfs/dbraw/zinc/45/01/92/942450192.db2.gz GISDBLRNQXQTSV-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001281682623 942609550 /nfs/dbraw/zinc/60/95/50/942609550.db2.gz FOSICSMYFQLHFM-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)Cc1cnccc1OC ZINC001281724421 942612708 /nfs/dbraw/zinc/61/27/08/942612708.db2.gz JZYLIWZQQQBLBR-ZDUSSCGKSA-N 2 0 289.379 1.140 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001281768866 942620094 /nfs/dbraw/zinc/62/00/94/942620094.db2.gz XGXAWGSMKVBSMC-INIZCTEOSA-N 2 0 293.455 1.760 10 30 CDEERP C=CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001282811245 942755206 /nfs/dbraw/zinc/75/52/06/942755206.db2.gz NJIGKGHRNVVIIW-CYBMUJFWSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001283898705 943023418 /nfs/dbraw/zinc/02/34/18/943023418.db2.gz KXUFMJDXLNLHAS-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CCC)CCC[C@H]12 ZINC001284071018 943069517 /nfs/dbraw/zinc/06/95/17/943069517.db2.gz LBZRWACLHFZVOL-RDJZCZTQSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001284070982 943070155 /nfs/dbraw/zinc/07/01/55/943070155.db2.gz VTKASSJWSVPCOR-ZBFHGGJFSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001284277568 943137498 /nfs/dbraw/zinc/13/74/98/943137498.db2.gz UVDPLCHXGLFGMN-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C ZINC001284625992 943228100 /nfs/dbraw/zinc/22/81/00/943228100.db2.gz VJCCPPPLHZLNPW-HUUCEWRRSA-N 2 0 295.471 1.861 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001264363554 944112734 /nfs/dbraw/zinc/11/27/34/944112734.db2.gz RBRHSVXQIYTYSG-ZIAGYGMSSA-N 2 0 267.417 1.435 10 30 CDEERP C=CCC[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001265197293 944268085 /nfs/dbraw/zinc/26/80/85/944268085.db2.gz LGGCSZXJKAZNIB-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001265655966 944459660 /nfs/dbraw/zinc/45/96/60/944459660.db2.gz SUDGAQYZWWPKCE-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001265833117 944532300 /nfs/dbraw/zinc/53/23/00/944532300.db2.gz XQIMHCVBNLQESJ-HUUCEWRRSA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266029451 944642064 /nfs/dbraw/zinc/64/20/64/944642064.db2.gz QSACELYTGKXQED-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001266116490 944690235 /nfs/dbraw/zinc/69/02/35/944690235.db2.gz KZKYXQQCYZKPCZ-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)CCC[NH2+]1 ZINC001261643676 946210479 /nfs/dbraw/zinc/21/04/79/946210479.db2.gz ASTZHPNRHKXCNN-GOEBONIOSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001568940279 1169555017 /nfs/dbraw/zinc/55/50/17/1169555017.db2.gz UCEKVKYAQIFATC-AATRIKPKSA-N 2 0 279.428 1.556 10 30 CDEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001479692532 971368656 /nfs/dbraw/zinc/36/86/56/971368656.db2.gz MROUNGIEZXHPGB-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001479907749 971482412 /nfs/dbraw/zinc/48/24/12/971482412.db2.gz CBMKOFHRILCDFJ-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001480020316 971541556 /nfs/dbraw/zinc/54/15/56/971541556.db2.gz RICKBTZTLCKAMM-HUUCEWRRSA-N 2 0 279.428 1.530 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001480038338 971548396 /nfs/dbraw/zinc/54/83/96/971548396.db2.gz GRNOVNYYWBHPOL-AWEZNQCLSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001278607749 950433096 /nfs/dbraw/zinc/43/30/96/950433096.db2.gz HNQDHAZJNRXKBQ-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCC1 ZINC001324481265 953409348 /nfs/dbraw/zinc/40/93/48/953409348.db2.gz FAZYOZMCKGCXGR-HOTGVXAUSA-N 2 0 293.455 1.470 10 30 CDEERP C#CC[NH+]1CCC[C@](C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001324971800 953662258 /nfs/dbraw/zinc/66/22/58/953662258.db2.gz LDJLYAIGPPWYEA-NVXWUHKLSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCCC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001493138839 971958444 /nfs/dbraw/zinc/95/84/44/971958444.db2.gz XXMBSIPFGZWGJK-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001569174442 1169701382 /nfs/dbraw/zinc/70/13/82/1169701382.db2.gz KCVHNYWTJJLIAE-GJZGRUSLSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001327276668 954807089 /nfs/dbraw/zinc/80/70/89/954807089.db2.gz DSCKZQWZHUKLBB-CVEARBPZSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001316665164 955228721 /nfs/dbraw/zinc/22/87/21/955228721.db2.gz VMWWBOQKUPTACE-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001493592070 972086344 /nfs/dbraw/zinc/08/63/44/972086344.db2.gz RVTQANULPXGOIC-KBPBESRZSA-N 2 0 265.401 1.237 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001328435995 955294493 /nfs/dbraw/zinc/29/44/93/955294493.db2.gz FJDQBWMRZFFUKL-HNNXBMFYSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001569203493 1169719042 /nfs/dbraw/zinc/71/90/42/1169719042.db2.gz WCLMAZBRTQGPMN-HNNXBMFYSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001491684449 955355799 /nfs/dbraw/zinc/35/57/99/955355799.db2.gz VPVLQFXNDGURMF-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317154345 956986766 /nfs/dbraw/zinc/98/67/66/956986766.db2.gz VUCKIMNWNWZABU-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001331454918 957072788 /nfs/dbraw/zinc/07/27/88/957072788.db2.gz JJHYHEQYTWLPSK-SOUVJXGZSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001316956149 957152593 /nfs/dbraw/zinc/15/25/93/957152593.db2.gz NKWDLDSNFAQKNX-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+](C)C(C)C ZINC001317434253 957468677 /nfs/dbraw/zinc/46/86/77/957468677.db2.gz KXUKLJSKPNTQML-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC001332399835 957548021 /nfs/dbraw/zinc/54/80/21/957548021.db2.gz VHGSUOSCXIAICO-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317831748 957683557 /nfs/dbraw/zinc/68/35/57/957683557.db2.gz WNFXZQVOGFIBJM-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001318371788 958058287 /nfs/dbraw/zinc/05/82/87/958058287.db2.gz UNCNBCHMWKWEOB-CQSZACIVSA-N 2 0 265.401 1.239 10 30 CDEERP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001333139845 958099559 /nfs/dbraw/zinc/09/95/59/958099559.db2.gz DATDXFCRLCMEHW-UHFFFAOYSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)CCC[NH+]1CCCC1 ZINC001318607088 958196369 /nfs/dbraw/zinc/19/63/69/958196369.db2.gz NNPIUXZBVQBDIW-HNNXBMFYSA-N 2 0 279.428 1.370 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001494981864 972362303 /nfs/dbraw/zinc/36/23/03/972362303.db2.gz URKBGVLPDUMBNL-JKSUJKDBSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001494988411 972364679 /nfs/dbraw/zinc/36/46/79/972364679.db2.gz ZDWXPEOQGIBSRZ-KBPBESRZSA-N 2 0 267.417 1.530 10 30 CDEERP C#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001320033778 958886067 /nfs/dbraw/zinc/88/60/67/958886067.db2.gz DLBUKOCVADDEKE-OAHLLOKOSA-N 2 0 279.428 1.132 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320464421 959187876 /nfs/dbraw/zinc/18/78/76/959187876.db2.gz ODGPJMGIMMFEID-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320758650 959371122 /nfs/dbraw/zinc/37/11/22/959371122.db2.gz NUEQAWPZVSBZDK-AWEZNQCLSA-N 2 0 269.433 1.587 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001321680755 959904643 /nfs/dbraw/zinc/90/46/43/959904643.db2.gz KWIMISNIQFSQKH-CQSZACIVSA-N 2 0 287.407 1.479 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001495395216 972487372 /nfs/dbraw/zinc/48/73/72/972487372.db2.gz DESNWWGFUDFFMI-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001323292553 960620784 /nfs/dbraw/zinc/62/07/84/960620784.db2.gz FVFIAYRYBBAWNQ-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H](C)CC[NH+](CC)CC)CCC[NH2+]1 ZINC001341948547 963586497 /nfs/dbraw/zinc/58/64/97/963586497.db2.gz AXMCZVQMXYPCBZ-ZBFHGGJFSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001346632789 965192201 /nfs/dbraw/zinc/19/22/01/965192201.db2.gz IUWRBQIPKQZLFX-MQMHXKEQSA-N 2 0 280.416 1.063 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001569414305 1169867253 /nfs/dbraw/zinc/86/72/53/1169867253.db2.gz JWIKBAZOKBMFOZ-KBPBESRZSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001544078247 967335524 /nfs/dbraw/zinc/33/55/24/967335524.db2.gz DPVQKLDJQQTRFM-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001480474347 967951945 /nfs/dbraw/zinc/95/19/45/967951945.db2.gz YPDDODDVSWKOEQ-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[C@]1(C(=O)Nc2ccc3[nH]c(C[NH3+])nc3c2)CCC[NH2+]1 ZINC001523463939 970718271 /nfs/dbraw/zinc/71/82/71/970718271.db2.gz PVZSGBHSXPZITR-MRXNPFEDSA-N 2 0 299.378 1.658 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001495728212 972611706 /nfs/dbraw/zinc/61/17/06/972611706.db2.gz BSZTYLYALWJOSD-ZDUSSCGKSA-N 2 0 267.417 1.246 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001495775509 972629764 /nfs/dbraw/zinc/62/97/64/972629764.db2.gz YGCHKOBKELPWHH-AWEZNQCLSA-N 2 0 281.444 1.635 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001496796702 973102979 /nfs/dbraw/zinc/10/29/79/973102979.db2.gz KLISLQJYFFULAD-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497255391 973265138 /nfs/dbraw/zinc/26/51/38/973265138.db2.gz LZETYVXTDSPMIX-ILXRZTDVSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001498786189 974062243 /nfs/dbraw/zinc/06/22/43/974062243.db2.gz NZZVRGYXNAJHOJ-HNNXBMFYSA-N 2 0 289.423 1.123 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001499611371 974274643 /nfs/dbraw/zinc/27/46/43/974274643.db2.gz YFFROSPZSSDMTE-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001505433749 974877486 /nfs/dbraw/zinc/87/74/86/974877486.db2.gz DOHZIPDECGSTIA-INIZCTEOSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)C[N@@H+](C)CCC)CCCCC1 ZINC001506522055 975173610 /nfs/dbraw/zinc/17/36/10/975173610.db2.gz IOCOPPAMLQNMCN-UHFFFAOYSA-N 2 0 293.455 1.760 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001506936737 975266348 /nfs/dbraw/zinc/26/63/48/975266348.db2.gz OFRKMMJNJZRVEF-CQSZACIVSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH+](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001506970111 975277608 /nfs/dbraw/zinc/27/76/08/975277608.db2.gz IALZYRYKLRMGCP-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001506990674 975285896 /nfs/dbraw/zinc/28/58/96/975285896.db2.gz NNYPSDLAEAIELS-MRXNPFEDSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001507159977 975358575 /nfs/dbraw/zinc/35/85/75/975358575.db2.gz ADZUTPOQZPSGND-AWEZNQCLSA-N 2 0 289.423 1.984 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001507408657 975457763 /nfs/dbraw/zinc/45/77/63/975457763.db2.gz DYIOGAQJLLZNGM-GDBMZVCRSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001507960950 975569177 /nfs/dbraw/zinc/56/91/77/975569177.db2.gz FLQMPSHHTPJPNM-CABCVRRESA-N 2 0 295.471 1.716 10 30 CDEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001402788349 976479950 /nfs/dbraw/zinc/47/99/50/976479950.db2.gz PJDZKECTVJHORJ-UHFFFAOYSA-N 2 0 287.835 1.661 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001392236551 977275265 /nfs/dbraw/zinc/27/52/65/977275265.db2.gz UHSIJHNNQJMULW-LBPRGKRZSA-N 2 0 275.824 1.421 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@@H](C)CC ZINC001674199599 1173923711 /nfs/dbraw/zinc/92/37/11/1173923711.db2.gz JEFAMDSRTOCPFI-JYJNAYRXSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001677263354 1174342107 /nfs/dbraw/zinc/34/21/07/1174342107.db2.gz PNHAIEUOXDTQIN-ZIAGYGMSSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001677253713 1174342689 /nfs/dbraw/zinc/34/26/89/1174342689.db2.gz ZSBZGNFLYCIZRD-HUUCEWRRSA-N 2 0 291.439 1.082 10 30 CDEERP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001569915598 1170037040 /nfs/dbraw/zinc/03/70/40/1170037040.db2.gz SOZKKZMYYRWEAT-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001570827425 1170291069 /nfs/dbraw/zinc/29/10/69/1170291069.db2.gz QNTZJRSLIRJIPD-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001571257624 1170355979 /nfs/dbraw/zinc/35/59/79/1170355979.db2.gz QFDSZTGSGNTAIM-ZBFHGGJFSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001571296638 1170360164 /nfs/dbraw/zinc/36/01/64/1170360164.db2.gz DELXEJKUYGRKKF-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C ZINC001571635267 1170503315 /nfs/dbraw/zinc/50/33/15/1170503315.db2.gz BIDIFKRHGZRJIN-AWEZNQCLSA-N 2 0 281.444 1.472 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001571664888 1170516070 /nfs/dbraw/zinc/51/60/70/1170516070.db2.gz ZMOGCBXIEFHPAE-WLYUNCDWSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001656164151 1171780848 /nfs/dbraw/zinc/78/08/48/1171780848.db2.gz NWOKBNMHUGFREQ-HRCADAONSA-N 2 0 293.455 1.921 10 30 CDEERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C#N)cc1F ZINC000591570730 342637220 /nfs/dbraw/zinc/63/72/20/342637220.db2.gz HLCAEHVUONQFDS-ZDUSSCGKSA-N 2 0 265.332 1.541 10 30 CDEERP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594438902 342906710 /nfs/dbraw/zinc/90/67/10/342906710.db2.gz MTRMSRGWSPHPLJ-HUUCEWRRSA-N 2 0 294.443 1.588 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000594449403 342909509 /nfs/dbraw/zinc/90/95/09/342909509.db2.gz IOOZNJAQRISZEG-OLZOCXBDSA-N 2 0 278.400 1.189 10 30 CDEERP C[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594424438 342903859 /nfs/dbraw/zinc/90/38/59/342903859.db2.gz DOLOIFCELJWSAI-CQSZACIVSA-N 2 0 274.368 1.756 10 30 CDEERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598722180 343884253 /nfs/dbraw/zinc/88/42/53/343884253.db2.gz ALHZZDQRYRSANR-YMAMQOFZSA-N 2 0 281.444 1.997 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001660632937 1172245086 /nfs/dbraw/zinc/24/50/86/1172245086.db2.gz XMXCRSFJPXZWJE-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001661554512 1172405567 /nfs/dbraw/zinc/40/55/67/1172405567.db2.gz CBNAZLIOBZSJDD-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](C#N)CCC#N)CC1 ZINC000248089513 377199255 /nfs/dbraw/zinc/19/92/55/377199255.db2.gz FCBFJOLTXGGQBA-GDBMZVCRSA-N 2 0 292.427 1.455 10 30 CDEERP C=CCCn1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)nn1 ZINC000655939593 412953042 /nfs/dbraw/zinc/95/30/42/412953042.db2.gz QOJYSXPFVYDVNT-ZDUSSCGKSA-N 2 0 263.389 1.415 10 30 CDEERP C=CC[C@]1(C(=O)NCC2([NH3+])CCCCC2)CCC[NH2+]1 ZINC000662392996 412955872 /nfs/dbraw/zinc/95/58/72/412955872.db2.gz KYXCBVKJCNMYEA-OAHLLOKOSA-N 2 0 265.401 1.463 10 30 CDEERP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000649336477 392060631 /nfs/dbraw/zinc/06/06/31/392060631.db2.gz ZDWGPZSVTWPRKV-CABCVRRESA-N 2 0 270.417 1.356 10 30 CDEERP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)N1CC[NH+](C)CC1 ZINC000269393071 132165116 /nfs/dbraw/zinc/16/51/16/132165116.db2.gz DEFDZADEMFMBIY-ZDUSSCGKSA-N 2 0 290.386 1.423 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001664299825 1172838911 /nfs/dbraw/zinc/83/89/11/1172838911.db2.gz WUZBAMVZKXPKMS-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCC[NH2+]1 ZINC000662718680 413374158 /nfs/dbraw/zinc/37/41/58/413374158.db2.gz RJKNAVSIGHLSLS-WBVHZDCISA-N 2 0 291.439 1.772 10 30 CDEERP C=CC[C@]1(C(=O)NCC[N@@H+](CC)CCC)CCC[NH2+]1 ZINC000662749397 413426652 /nfs/dbraw/zinc/42/66/52/413426652.db2.gz LGQZFKXMPYCGAC-OAHLLOKOSA-N 2 0 267.417 1.533 10 30 CDEERP C#CCC[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001665681437 1173036027 /nfs/dbraw/zinc/03/60/27/1173036027.db2.gz GCSGKSLNPDDKOJ-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000662781676 413488135 /nfs/dbraw/zinc/48/81/35/413488135.db2.gz XZKXNPPUAKUHHG-DOTOQJQBSA-N 2 0 291.439 1.533 10 30 CDEERP [NH3+]CC#Cc1ccsc1CN1CC[NH+](CC2CC2)CC1 ZINC000043684049 175092139 /nfs/dbraw/zinc/09/21/39/175092139.db2.gz AQFMCZPNXACOGH-UHFFFAOYSA-N 2 0 289.448 1.586 10 30 CDEERP C[N@H+](Cc1sccc1C#CC[NH3+])[C@H]1CCSC1 ZINC000043683655 175092378 /nfs/dbraw/zinc/09/23/78/175092378.db2.gz QEEWXMYBLFZUEZ-LBPRGKRZSA-N 2 0 266.435 1.996 10 30 CDEERP N#Cc1ccc(OCC[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000044513695 175189221 /nfs/dbraw/zinc/18/92/21/175189221.db2.gz PAAVYTSBQPTOBM-UHFFFAOYSA-N 2 0 259.353 1.608 10 30 CDEERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000069349814 175823702 /nfs/dbraw/zinc/82/37/02/175823702.db2.gz ASCRSQCLPUAPHW-AWEZNQCLSA-N 2 0 287.407 1.741 10 30 CDEERP C[N@@H+](Cc1cccc(C#CC[NH3+])c1)C[C@H]1CC[NH+](C)C1 ZINC000071190479 176066093 /nfs/dbraw/zinc/06/60/93/176066093.db2.gz UOYYQEMMKQSZPR-KRWDZBQOSA-N 3 0 271.408 1.380 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)CCC[NH2+]1 ZINC000662748701 424400270 /nfs/dbraw/zinc/40/02/70/424400270.db2.gz ZMYQVKZSMKQBBO-WBVHZDCISA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662816619 424502744 /nfs/dbraw/zinc/50/27/44/424502744.db2.gz XHDRXSJUVRNWCY-VNHYZAJKSA-N 2 0 265.401 1.128 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001667302045 1173252011 /nfs/dbraw/zinc/25/20/11/1173252011.db2.gz ONBNWDODXRJMMT-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001667634028 1173301736 /nfs/dbraw/zinc/30/17/36/1173301736.db2.gz FCNQXLMWDVVZKV-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)CC[NH+]1CCCCC1 ZINC001668652898 1173436036 /nfs/dbraw/zinc/43/60/36/1173436036.db2.gz WTNXPALTWQCEPO-UHFFFAOYSA-N 2 0 267.417 1.487 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001669751292 1173593597 /nfs/dbraw/zinc/59/35/97/1173593597.db2.gz ZUTXLJDPWPIUSO-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001669980500 1173639609 /nfs/dbraw/zinc/63/96/09/1173639609.db2.gz KIHQSNJAXHGXBG-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001671863107 1173716207 /nfs/dbraw/zinc/71/62/07/1173716207.db2.gz SJPZHGFABGAHJZ-CQSZACIVSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001673392175 1173852360 /nfs/dbraw/zinc/85/23/60/1173852360.db2.gz WYOZCZGHEYMVBL-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP CC[NH+]=C(NC1CCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262775446 330030543 /nfs/dbraw/zinc/03/05/43/330030543.db2.gz JDGZOGQIBMPGKH-CQSZACIVSA-N 2 0 278.444 1.922 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001267203861 1159174016 /nfs/dbraw/zinc/17/40/16/1159174016.db2.gz ZNDHNSUJVSJNTP-ZIAGYGMSSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001267205760 1159175792 /nfs/dbraw/zinc/17/57/92/1159175792.db2.gz YLARYOBTMZAKGV-UHFFFAOYSA-N 2 0 265.401 1.239 10 30 CDEERP C=CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001731712564 1159330070 /nfs/dbraw/zinc/33/00/70/1159330070.db2.gz TZPFJVUSLHNZJH-HNNXBMFYSA-N 2 0 297.443 1.064 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001699390844 1159555407 /nfs/dbraw/zinc/55/54/07/1159555407.db2.gz ITYBKHGFPHJDJU-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001267994228 1159639818 /nfs/dbraw/zinc/63/98/18/1159639818.db2.gz PDIUFOJCBLKLQB-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001267994581 1159640458 /nfs/dbraw/zinc/64/04/58/1159640458.db2.gz SILXYYUQFNVNJR-HZPDHXFCSA-N 2 0 293.455 1.472 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001482665015 1160594884 /nfs/dbraw/zinc/59/48/84/1160594884.db2.gz YOCUOQDDAUVBGD-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001733324229 1161235208 /nfs/dbraw/zinc/23/52/08/1161235208.db2.gz CRHUPPFLUSVPRB-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C[NH+](C)C[C@H]1CCCN1Cc1ccc(C#CC[NH3+])cc1 ZINC000061652293 521871719 /nfs/dbraw/zinc/87/17/19/521871719.db2.gz XHJBOQWGPRQHID-QGZVFWFLSA-N 2 0 271.408 1.523 10 30 CDEERP C[N@H+](Cc1ccc(C#CC[NH3+])cc1)[C@H]1CCSC1 ZINC000049608998 523202665 /nfs/dbraw/zinc/20/26/65/523202665.db2.gz IFQMSUJAKBFLIX-HNNXBMFYSA-N 2 0 260.406 1.934 10 30 CDEERP COc1ccc(C#CC[NH3+])cc1C[N@H+](C)[C@H]1CCSC1 ZINC000049609000 523514839 /nfs/dbraw/zinc/51/48/39/523514839.db2.gz BADPVFJALFQEPP-HNNXBMFYSA-N 2 0 290.432 1.943 10 30 CDEERP N#C[C@@H](N)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062439504 526495753 /nfs/dbraw/zinc/49/57/53/526495753.db2.gz AXYMGKDQPMEYJU-AWEZNQCLSA-N 2 0 250.390 1.035 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)s1 ZINC000052763105 527149269 /nfs/dbraw/zinc/14/92/69/527149269.db2.gz VDIXBLLYTVNNRA-CYBMUJFWSA-N 2 0 278.421 1.795 10 30 CDEERP [NH3+]CC#Cc1ccccc1CN1CC[NH+](CC2CC2)CC1 ZINC000049609955 527153505 /nfs/dbraw/zinc/15/35/05/527153505.db2.gz YVUAQQDYICMJKN-UHFFFAOYSA-N 2 0 283.419 1.524 10 30 CDEERP [NH3+]CC#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000049608676 527153667 /nfs/dbraw/zinc/15/36/67/527153667.db2.gz HGPHCKLEAAMKCF-QGZVFWFLSA-N 2 0 272.392 1.734 10 30 CDEERP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353619836 527188850 /nfs/dbraw/zinc/18/88/50/527188850.db2.gz JDSVUPHDWFTOLH-GBJTYRQASA-N 2 0 252.402 1.633 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000939754316 613386357 /nfs/dbraw/zinc/38/63/57/613386357.db2.gz MHHIUTRLCWGSJW-WCQYABFASA-N 2 0 285.819 1.271 10 30 CDEERP C#CC[N@@H+](C)CCCNCc1ccnc(OC)c1F ZINC000894639446 619000882 /nfs/dbraw/zinc/00/08/82/619000882.db2.gz LRQVAQVCPJZMFD-UHFFFAOYSA-N 2 0 265.332 1.274 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000900585065 623295032 /nfs/dbraw/zinc/29/50/32/623295032.db2.gz HLBSFYHILVNVCH-HNNXBMFYSA-N 2 0 297.443 1.064 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000901200717 623985753 /nfs/dbraw/zinc/98/57/53/623985753.db2.gz QGBINZQTARWRPY-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CCC)C1CC[NH2+]CC1 ZINC000876707142 630560519 /nfs/dbraw/zinc/56/05/19/630560519.db2.gz UQBMFQLZYAKSOR-GFCCVEGCSA-N 2 0 273.808 1.447 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001266417914 1158540407 /nfs/dbraw/zinc/54/04/07/1158540407.db2.gz INRLHFNHAXMCHH-HNNXBMFYSA-N 2 0 291.439 1.675 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001691186162 1158950370 /nfs/dbraw/zinc/95/03/70/1158950370.db2.gz HZQOOPTZXYUPGI-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001266911137 1158982271 /nfs/dbraw/zinc/98/22/71/1158982271.db2.gz FXYREGAHIDDIDB-UHFFFAOYSA-N 2 0 287.835 1.519 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001691184582 1158949096 /nfs/dbraw/zinc/94/90/96/1158949096.db2.gz QVPHCGMVXVBCCZ-SHTZXODSSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001691184462 1158949230 /nfs/dbraw/zinc/94/92/30/1158949230.db2.gz MNDOHUJKFCCHSF-KKUMJFAQSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001732631219 1160159990 /nfs/dbraw/zinc/15/99/90/1160159990.db2.gz RCEDBXMIMULQKI-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001483592228 1160953745 /nfs/dbraw/zinc/95/37/45/1160953745.db2.gz LDSQDXJKKMNRDU-HZPDHXFCSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000876708508 1165897388 /nfs/dbraw/zinc/89/73/88/1165897388.db2.gz SDBQSZNLLLLHJD-KGLIPLIRSA-N 2 0 295.814 1.875 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000876728846 1165904043 /nfs/dbraw/zinc/90/40/43/1165904043.db2.gz XSTAQHRAATVRFE-VXGBXAGGSA-N 2 0 273.808 1.257 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001566860328 1168447455 /nfs/dbraw/zinc/44/74/55/1168447455.db2.gz VXPBMZLGBHAZOH-IXDOHACOSA-N 2 0 299.418 1.549 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001566912088 1168465135 /nfs/dbraw/zinc/46/51/35/1168465135.db2.gz BXVFASCMMOQCJJ-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001567154516 1168599618 /nfs/dbraw/zinc/59/96/18/1168599618.db2.gz GCGLZOTVAAYCMH-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001568112949 1169138403 /nfs/dbraw/zinc/13/84/03/1169138403.db2.gz QJSGRUXDJTYEDD-KKUMJFAQSA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C)[C@H](CO)[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001648659515 1169146206 /nfs/dbraw/zinc/14/62/06/1169146206.db2.gz FMSIKTOXGLCABG-HRCADAONSA-N 2 0 264.413 1.731 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001568464447 1169299874 /nfs/dbraw/zinc/29/98/74/1169299874.db2.gz WKTVNDVAZPXHAX-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001671246877 1169452398 /nfs/dbraw/zinc/45/23/98/1169452398.db2.gz YPACZGCATJOILX-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001569306253 1169757171 /nfs/dbraw/zinc/75/71/71/1169757171.db2.gz KDKWHELRETULFA-CYBMUJFWSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001569317759 1169762954 /nfs/dbraw/zinc/76/29/54/1169762954.db2.gz FIMHDSBNPXXPJP-LSDHHAIUSA-N 2 0 281.444 1.633 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001569554155 1169921426 /nfs/dbraw/zinc/92/14/26/1169921426.db2.gz IQFRRWDPMZJULW-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]2C1 ZINC001569882539 1170027142 /nfs/dbraw/zinc/02/71/42/1170027142.db2.gz UXSSCASYWHDNPM-IYBDPMFKSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001569915597 1170037591 /nfs/dbraw/zinc/03/75/91/1170037591.db2.gz SOZKKZMYYRWEAT-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001569986402 1170053966 /nfs/dbraw/zinc/05/39/66/1170053966.db2.gz IMYBORQHNISSEX-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001571630803 1170501823 /nfs/dbraw/zinc/50/18/23/1170501823.db2.gz NDXPYNWSZZNRPM-GJZGRUSLSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1CC ZINC001656755692 1171873993 /nfs/dbraw/zinc/87/39/93/1171873993.db2.gz CGLRKURQOLKKJU-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001661162309 1172346251 /nfs/dbraw/zinc/34/62/51/1172346251.db2.gz GMZZKAHFDXMZHD-MRXNPFEDSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001661655077 1172422616 /nfs/dbraw/zinc/42/26/16/1172422616.db2.gz WZHPPQIXQZRPSK-YHUYYLMFSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001662304506 1172524677 /nfs/dbraw/zinc/52/46/77/1172524677.db2.gz YECNRRKDSVDVBM-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001666245395 1173120989 /nfs/dbraw/zinc/12/09/89/1173120989.db2.gz YDJSOXINCHAQQF-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001666939180 1173210997 /nfs/dbraw/zinc/21/09/97/1173210997.db2.gz USZWWXOXJCKVLW-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001667118699 1173236968 /nfs/dbraw/zinc/23/69/68/1173236968.db2.gz VBBYOXQIFXGOAE-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001670275647 1173669707 /nfs/dbraw/zinc/66/97/07/1173669707.db2.gz OJIBNSYIHXVRCE-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1CC ZINC001692215122 1175703629 /nfs/dbraw/zinc/70/36/29/1175703629.db2.gz SSXWOGQZXHPPDL-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001692391085 1175757726 /nfs/dbraw/zinc/75/77/26/1175757726.db2.gz QJUWNHBGWAHMGY-PMPSAXMXSA-N 2 0 293.455 1.709 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001698621929 1175875858 /nfs/dbraw/zinc/87/58/58/1175875858.db2.gz YQGPTYQLUGTBDG-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001698667350 1175892094 /nfs/dbraw/zinc/89/20/94/1175892094.db2.gz FJJULYVERAXCNE-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001698877484 1175975232 /nfs/dbraw/zinc/97/52/32/1175975232.db2.gz DKUGEUQZPDLWDF-HNNXBMFYSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001698910729 1175983941 /nfs/dbraw/zinc/98/39/41/1175983941.db2.gz ZXYSTMPQEGTNPO-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699403409 1176368151 /nfs/dbraw/zinc/36/81/51/1176368151.db2.gz WULLQUCUBNWKFQ-UONOGXRCSA-N 2 0 267.417 1.530 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001699743904 1176601191 /nfs/dbraw/zinc/60/11/91/1176601191.db2.gz RNYVIEWLLRRNGV-GJZGRUSLSA-N 2 0 279.428 1.319 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](CC)CC)CCC1 ZINC001700137421 1176766627 /nfs/dbraw/zinc/76/66/27/1176766627.db2.gz ZAAUBTKZRYOCOL-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001700267114 1176825342 /nfs/dbraw/zinc/82/53/42/1176825342.db2.gz LMJVFZYIZDJYPF-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001700317479 1176846914 /nfs/dbraw/zinc/84/69/14/1176846914.db2.gz IFTIZRFZFYTJNW-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)Cc1ncc[nH]1 ZINC001700447276 1176931805 /nfs/dbraw/zinc/93/18/05/1176931805.db2.gz QSKGFYFIBNWDHR-UHFFFAOYSA-N 2 0 292.427 1.993 10 30 CDEERP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001700669051 1177067295 /nfs/dbraw/zinc/06/72/95/1177067295.db2.gz IHAXBQHUBYQYBC-CHWSQXEVSA-N 2 0 287.835 1.708 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001700824687 1177150548 /nfs/dbraw/zinc/15/05/48/1177150548.db2.gz WGTXIAWSCRJSGV-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001700843052 1177162483 /nfs/dbraw/zinc/16/24/83/1177162483.db2.gz BNYMXEFMNFRWGV-ZIAGYGMSSA-N 2 0 277.412 1.073 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001700905653 1177190619 /nfs/dbraw/zinc/19/06/19/1177190619.db2.gz SZCSUPDQURDZMH-JKSUJKDBSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001707077862 1177941861 /nfs/dbraw/zinc/94/18/61/1177941861.db2.gz TWVQTILBQHTTLE-IYBDPMFKSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001707160518 1177961240 /nfs/dbraw/zinc/96/12/40/1177961240.db2.gz NMVQLAGUZCSKQM-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001707262489 1177983562 /nfs/dbraw/zinc/98/35/62/1177983562.db2.gz DDUJEJCDGHHDDJ-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001713055164 1178333504 /nfs/dbraw/zinc/33/35/04/1178333504.db2.gz ITPPNWLZOYINTR-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001713105212 1178369557 /nfs/dbraw/zinc/36/95/57/1178369557.db2.gz PSXAIUBBPROJTB-CABCVRRESA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001713166406 1178407741 /nfs/dbraw/zinc/40/77/41/1178407741.db2.gz RKJWLLSUBXYVJI-HDJSIYSDSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001713408779 1178542830 /nfs/dbraw/zinc/54/28/30/1178542830.db2.gz BBEOQJIXXPEHRB-ZBFHGGJFSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCC[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001713540169 1178632995 /nfs/dbraw/zinc/63/29/95/1178632995.db2.gz UNIYUJCXYIWZOY-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001713559730 1178647203 /nfs/dbraw/zinc/64/72/03/1178647203.db2.gz FZNKESZGEXDDQV-UHFFFAOYSA-N 2 0 277.412 1.381 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001713617834 1178683100 /nfs/dbraw/zinc/68/31/00/1178683100.db2.gz DKPFUYZSRZGZTE-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713682489 1178707045 /nfs/dbraw/zinc/70/70/45/1178707045.db2.gz BZCMAWZPZGUDLZ-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001713752005 1178738609 /nfs/dbraw/zinc/73/86/09/1178738609.db2.gz HCTPFTBNXWDLHB-OWCLPIDISA-N 2 0 293.455 1.683 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001714351108 1179100909 /nfs/dbraw/zinc/10/09/09/1179100909.db2.gz IYEVHVDKTCIEOJ-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001714547197 1179203097 /nfs/dbraw/zinc/20/30/97/1179203097.db2.gz HYEUUVFRPNNXAX-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[N@@H+](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001714570377 1179225215 /nfs/dbraw/zinc/22/52/15/1179225215.db2.gz RDMIRNOGKJGZAN-UHFFFAOYSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001714583491 1179241011 /nfs/dbraw/zinc/24/10/11/1179241011.db2.gz ALIXJVXBFROJMS-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001714713301 1179352294 /nfs/dbraw/zinc/35/22/94/1179352294.db2.gz BVZPQGMUTSCNTQ-HNNXBMFYSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001714862047 1179425286 /nfs/dbraw/zinc/42/52/86/1179425286.db2.gz FTGRLPRDYIIGFF-CVEARBPZSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001715031231 1179517756 /nfs/dbraw/zinc/51/77/56/1179517756.db2.gz JSDCHPSZLZMASM-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001715426063 1179664998 /nfs/dbraw/zinc/66/49/98/1179664998.db2.gz LWOGCMMHXLYGFW-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001715560174 1179716431 /nfs/dbraw/zinc/71/64/31/1179716431.db2.gz MBKBVINWTLLJJJ-HUUCEWRRSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001715729143 1179782156 /nfs/dbraw/zinc/78/21/56/1179782156.db2.gz MTLSBZZPYJWNOQ-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001715857784 1179873423 /nfs/dbraw/zinc/87/34/23/1179873423.db2.gz GFFIBEFKVAGSGH-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001715870486 1179885176 /nfs/dbraw/zinc/88/51/76/1179885176.db2.gz VAWCOSAXTMASKR-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001715879786 1179893594 /nfs/dbraw/zinc/89/35/94/1179893594.db2.gz VOKOTMQVLGRBRM-PTZVLDCSSA-N 2 0 291.439 1.535 10 30 CDEERP C#CC[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001716014193 1179985341 /nfs/dbraw/zinc/98/53/41/1179985341.db2.gz QDSGMXHRCDEOHC-UHFFFAOYSA-N 2 0 279.428 1.276 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001716142056 1180069626 /nfs/dbraw/zinc/06/96/26/1180069626.db2.gz MTPBZROXUGAQEJ-MELADBBJSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC2CC2)CC1 ZINC001716377915 1180174532 /nfs/dbraw/zinc/17/45/32/1180174532.db2.gz CKJINSKHLKGYCL-ONEGZZNKSA-N 2 0 289.423 1.004 10 30 CDEERP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001716670085 1180355178 /nfs/dbraw/zinc/35/51/78/1180355178.db2.gz APISBLNKZAAHQF-AWEZNQCLSA-N 2 0 265.401 1.239 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001716699047 1180377747 /nfs/dbraw/zinc/37/77/47/1180377747.db2.gz CPDZEHLOPSBKFW-KBPBESRZSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCOCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001716765927 1180405728 /nfs/dbraw/zinc/40/57/28/1180405728.db2.gz ZOEJZAHABVDUHN-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001716783652 1180413591 /nfs/dbraw/zinc/41/35/91/1180413591.db2.gz SZJAGVBUTLEUAH-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001716824491 1180425940 /nfs/dbraw/zinc/42/59/40/1180425940.db2.gz DOZXYOCZNDUPIR-OAHLLOKOSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001716874568 1180449622 /nfs/dbraw/zinc/44/96/22/1180449622.db2.gz MEJPLCAVYJLCBR-WBVHZDCISA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001716875447 1180450251 /nfs/dbraw/zinc/45/02/51/1180450251.db2.gz RACZHIDQTVVDCK-GOEBONIOSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001716901144 1180457973 /nfs/dbraw/zinc/45/79/73/1180457973.db2.gz CDUJWRCBHYJWAM-MRXNPFEDSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001717084059 1180527263 /nfs/dbraw/zinc/52/72/63/1180527263.db2.gz HICRINPVDNTSRZ-OWCLPIDISA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001717125209 1180538571 /nfs/dbraw/zinc/53/85/71/1180538571.db2.gz HWVQRZSJYQKQSW-WKILWMFISA-N 2 0 293.455 1.923 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001717376809 1180637719 /nfs/dbraw/zinc/63/77/19/1180637719.db2.gz YDZPGPUNRPMIIZ-MRXNPFEDSA-N 2 0 291.439 1.418 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001717376832 1180637808 /nfs/dbraw/zinc/63/78/08/1180637808.db2.gz YVYAOGNHTMAJBS-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001717394505 1180646114 /nfs/dbraw/zinc/64/61/14/1180646114.db2.gz NPAHNWXSBGESGP-UYSNPLJNSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001717854905 1180895622 /nfs/dbraw/zinc/89/56/22/1180895622.db2.gz ZWUAWYDIHDGPKX-UONOGXRCSA-N 2 0 279.428 1.626 10 30 CDEERP C=CCC[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001724185500 1181650403 /nfs/dbraw/zinc/65/04/03/1181650403.db2.gz ZHRQPDGDEANXGP-MRXNPFEDSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001724271887 1181659190 /nfs/dbraw/zinc/65/91/90/1181659190.db2.gz FLECKUKMXDHJRB-QGZVFWFLSA-N 2 0 291.439 1.324 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCC1 ZINC001724799782 1181758418 /nfs/dbraw/zinc/75/84/18/1181758418.db2.gz HUWICPLLLAXMPO-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001725084775 1181851415 /nfs/dbraw/zinc/85/14/15/1181851415.db2.gz CONSDXWGIJHRPN-OLZOCXBDSA-N 2 0 267.417 1.530 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001725093331 1181856850 /nfs/dbraw/zinc/85/68/50/1181856850.db2.gz FDIFTIQMGOPHCB-UONOGXRCSA-N 2 0 277.412 1.121 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001725116422 1181870347 /nfs/dbraw/zinc/87/03/47/1181870347.db2.gz LLYJQGWMDMWBEZ-KBPBESRZSA-N 2 0 297.443 1.156 10 30 CDEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001725499298 1182025910 /nfs/dbraw/zinc/02/59/10/1182025910.db2.gz XLTDQQHNOCIMNG-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001725662758 1182090313 /nfs/dbraw/zinc/09/03/13/1182090313.db2.gz QVESYSCIAAHTLC-HOTGVXAUSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001725753918 1182121580 /nfs/dbraw/zinc/12/15/80/1182121580.db2.gz YJHMXMQDKYWQKP-AWEZNQCLSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001725786811 1182132332 /nfs/dbraw/zinc/13/23/32/1182132332.db2.gz PFADFJIJJBTOHG-YMAMQOFZSA-N 2 0 279.428 1.319 10 30 CDEERP C#CC[NH2+]C1CC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001725786809 1182132493 /nfs/dbraw/zinc/13/24/93/1182132493.db2.gz PFADFJIJJBTOHG-NRXISQOPSA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001731394439 1182358553 /nfs/dbraw/zinc/35/85/53/1182358553.db2.gz WXRMOEHARUZPLN-JKSUJKDBSA-N 2 0 291.439 1.389 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001731626535 1182488854 /nfs/dbraw/zinc/48/88/54/1182488854.db2.gz KDBOPSLWAUPHJS-CQSZACIVSA-N 2 0 297.443 1.158 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001731810018 1182598253 /nfs/dbraw/zinc/59/82/53/1182598253.db2.gz PESHOUBOQPFEDD-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731857830 1182631407 /nfs/dbraw/zinc/63/14/07/1182631407.db2.gz NBFKGLXIKDSCSB-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCCC=C)CC1 ZINC001731987247 1182715191 /nfs/dbraw/zinc/71/51/91/1182715191.db2.gz CEEJLNXDAPJPOL-UHFFFAOYSA-N 2 0 291.439 1.346 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001732455012 1182975352 /nfs/dbraw/zinc/97/53/52/1182975352.db2.gz RAQPJKPISOQICW-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001732562493 1183011231 /nfs/dbraw/zinc/01/12/31/1183011231.db2.gz CNKTYTQFAKFFGW-RBSFLKMASA-N 2 0 281.444 1.633 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001733413416 1183425747 /nfs/dbraw/zinc/42/57/47/1183425747.db2.gz RNYSXBCPGDDQNN-NVXWUHKLSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001733649972 1183489990 /nfs/dbraw/zinc/48/99/90/1183489990.db2.gz VYVKMCBLJVHZMY-OWCLPIDISA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)CCc2cncn2C)CCC1 ZINC001733727349 1183509674 /nfs/dbraw/zinc/50/96/74/1183509674.db2.gz STXRLGBXNFUKLU-UHFFFAOYSA-N 2 0 288.395 1.005 10 30 CDEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001734252109 1183704816 /nfs/dbraw/zinc/70/48/16/1183704816.db2.gz FWVLJVFKXQEZJS-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001734398259 1183763128 /nfs/dbraw/zinc/76/31/28/1183763128.db2.gz AAWBHGJGKQFBKB-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001734429358 1183776555 /nfs/dbraw/zinc/77/65/55/1183776555.db2.gz DLWDOFYUGFTMEP-KGLIPLIRSA-N 2 0 265.401 1.237 10 30 CDEERP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001734486215 1183797214 /nfs/dbraw/zinc/79/72/14/1183797214.db2.gz HBWAAZKQPDKCAC-HZPDHXFCSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C(C)(C)C ZINC001734576449 1183831692 /nfs/dbraw/zinc/83/16/92/1183831692.db2.gz OIWFOZGKPWNEPU-OAHLLOKOSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001691708004 1164427118 /nfs/dbraw/zinc/42/71/18/1164427118.db2.gz XYNKIKDYYIXJQW-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C#N)CCCC1 ZINC000849047060 819076545 /nfs/dbraw/zinc/07/65/45/819076545.db2.gz OMXGXOJOLDBQLQ-CYBMUJFWSA-N 2 0 277.416 1.669 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000876800624 819898998 /nfs/dbraw/zinc/89/89/98/819898998.db2.gz OWZNQLCGQYQNOO-GFCCVEGCSA-N 2 0 297.790 1.216 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000876739882 821763239 /nfs/dbraw/zinc/76/32/39/821763239.db2.gz JUMMRFHACIYKQL-QWHCGFSZSA-N 2 0 287.835 1.693 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000876709401 821859345 /nfs/dbraw/zinc/85/93/45/821859345.db2.gz QTTXXDPKHXIDDE-CYBMUJFWSA-N 2 0 287.835 1.839 10 30 CDEERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000863544332 822215081 /nfs/dbraw/zinc/21/50/81/822215081.db2.gz QUEXMUJTOFDTRD-CYBMUJFWSA-N 2 0 277.368 1.476 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH+](CC)CC ZINC000876708692 822235139 /nfs/dbraw/zinc/23/51/39/822235139.db2.gz XZNFDJFPXDNFHQ-LLVKDONJSA-N 2 0 261.797 1.304 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001568411455 1167531174 /nfs/dbraw/zinc/53/11/74/1167531174.db2.gz DTCKVVMHLBANFW-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001566615567 1168015350 /nfs/dbraw/zinc/01/53/50/1168015350.db2.gz OAMJOLQFDSAOCR-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001566055301 1168222493 /nfs/dbraw/zinc/22/24/93/1168222493.db2.gz RUBKVQYGLDXPNA-CABCVRRESA-N 2 0 279.428 1.293 10 30 CDEERP CC#CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001566552321 1168332739 /nfs/dbraw/zinc/33/27/39/1168332739.db2.gz DJJAXZQGHYZQFC-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001566871741 1168452766 /nfs/dbraw/zinc/45/27/66/1168452766.db2.gz JVUZOBQERKLKQQ-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001266485526 895038536 /nfs/dbraw/zinc/03/85/36/895038536.db2.gz DHUKOMCCHLVJSV-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001266879994 896270364 /nfs/dbraw/zinc/27/03/64/896270364.db2.gz FEPZZMAFYPMQER-OAHLLOKOSA-N 2 0 289.423 1.076 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC(=C)Cl)CC1 ZINC001267118010 896841690 /nfs/dbraw/zinc/84/16/90/896841690.db2.gz ZAIJDCJBDJHGPK-UHFFFAOYSA-N 2 0 297.830 1.132 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001267121587 896854306 /nfs/dbraw/zinc/85/43/06/896854306.db2.gz CENBMYCHYVMLDG-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001272617005 914182460 /nfs/dbraw/zinc/18/24/60/914182460.db2.gz RRZZQJXRMDBADU-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001481000452 898455554 /nfs/dbraw/zinc/45/55/54/898455554.db2.gz ZHOJQEYRWKIHFJ-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001567633594 1168895859 /nfs/dbraw/zinc/89/58/59/1168895859.db2.gz DYSJXXXFMBSSBI-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267683162 899270642 /nfs/dbraw/zinc/27/06/42/899270642.db2.gz OVNOWRVYHPGIDH-UHFFFAOYSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001267691432 899291375 /nfs/dbraw/zinc/29/13/75/899291375.db2.gz YIROLPTVPKEOTQ-MRXNPFEDSA-N 2 0 291.439 1.132 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001267780110 899712013 /nfs/dbraw/zinc/71/20/13/899712013.db2.gz ZDGLPXKPLDUGNG-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567689253 1168918610 /nfs/dbraw/zinc/91/86/10/1168918610.db2.gz SECRMCZGDAMZFE-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268003940 900256632 /nfs/dbraw/zinc/25/66/32/900256632.db2.gz BOKBSFYGWLIPBT-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268110510 901312272 /nfs/dbraw/zinc/31/22/72/901312272.db2.gz GMRDBHOJFMQUTJ-GJZGRUSLSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001482002248 902457767 /nfs/dbraw/zinc/45/77/67/902457767.db2.gz DWZBWBLNBSGGFG-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001268664797 902924524 /nfs/dbraw/zinc/92/45/24/902924524.db2.gz RSDHVRMQDMUJIN-CQSZACIVSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001269332015 903703251 /nfs/dbraw/zinc/70/32/51/903703251.db2.gz MNOBWDDGBCDFQN-GJZGRUSLSA-N 2 0 291.439 1.627 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001269489089 903854476 /nfs/dbraw/zinc/85/44/76/903854476.db2.gz GSSVGAGZLTUPKG-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001284640611 904132623 /nfs/dbraw/zinc/13/26/23/904132623.db2.gz GONUVGREPROWOY-HUUCEWRRSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001270166184 904409954 /nfs/dbraw/zinc/40/99/54/904409954.db2.gz TZGJWPPIDNDSNF-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482458254 905669406 /nfs/dbraw/zinc/66/94/06/905669406.db2.gz CAJXYZBYKARQDA-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001271276973 906221271 /nfs/dbraw/zinc/22/12/71/906221271.db2.gz DCQDRIMSRZAMMW-HNNXBMFYSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001482885899 908458511 /nfs/dbraw/zinc/45/85/11/908458511.db2.gz LZNTZESCMYIANC-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001568072903 1169133115 /nfs/dbraw/zinc/13/31/15/1169133115.db2.gz ILZCYTGKBSZZOI-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001485525848 917062062 /nfs/dbraw/zinc/06/20/62/917062062.db2.gz INEVFZIBHLQMCB-AWEZNQCLSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001485763379 917262154 /nfs/dbraw/zinc/26/21/54/917262154.db2.gz SHIYKVLNAZTIJZ-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCCC[N@@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001485766995 917266851 /nfs/dbraw/zinc/26/68/51/917266851.db2.gz NEKQCHDLTPCZGJ-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001273524497 920110219 /nfs/dbraw/zinc/11/02/19/920110219.db2.gz YKLVGUHIYSGMBD-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491126444 936862318 /nfs/dbraw/zinc/86/23/18/936862318.db2.gz YGZFVBRYLWBRJD-CABCVRRESA-N 2 0 279.428 1.034 10 30 CDEERP C=CCCn1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)nn1 ZINC000923495150 923872266 /nfs/dbraw/zinc/87/22/66/923872266.db2.gz ULLIUMBZPYIIGT-OLZOCXBDSA-N 2 0 263.389 1.271 10 30 CDEERP C#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001491211162 936876695 /nfs/dbraw/zinc/87/66/95/936876695.db2.gz YLNQADCYGBXOOM-OAHLLOKOSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001495669549 936919425 /nfs/dbraw/zinc/91/94/25/936919425.db2.gz RRTXXSZTHXGGOA-RRFJBIMHSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001491508234 936926440 /nfs/dbraw/zinc/92/64/40/936926440.db2.gz QGZNJMLKUVDWTJ-KBPBESRZSA-N 2 0 290.411 1.506 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001568417240 1169279054 /nfs/dbraw/zinc/27/90/54/1169279054.db2.gz UMXNHLYVRHVNLZ-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001490722904 927298750 /nfs/dbraw/zinc/29/87/50/927298750.db2.gz LSRRMFDJPNELSJ-KRWDZBQOSA-N 2 0 299.418 1.479 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001274152711 931205581 /nfs/dbraw/zinc/20/55/81/931205581.db2.gz HIDRCFWKZPFRQN-MWWKQMNYSA-N 2 0 291.439 1.392 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001274278783 931487278 /nfs/dbraw/zinc/48/72/78/931487278.db2.gz BRQJMWJAYDNMPB-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001274841199 931589719 /nfs/dbraw/zinc/58/97/19/931589719.db2.gz PTTWQRGGOJUMLT-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001275330147 931737288 /nfs/dbraw/zinc/73/72/88/931737288.db2.gz ABPUPTRKBCMJFP-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH2+]C1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001275624542 931912271 /nfs/dbraw/zinc/91/22/71/931912271.db2.gz OLNJOQIEHSXBSI-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001273444352 932825751 /nfs/dbraw/zinc/82/57/51/932825751.db2.gz AVUXIVWHMYYKNY-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001122132893 937907794 /nfs/dbraw/zinc/90/77/94/937907794.db2.gz ZTKOQQSRGFAKOY-FRRDWIJNSA-N 2 0 253.390 1.126 10 30 CDEERP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001276453114 939754454 /nfs/dbraw/zinc/75/44/54/939754454.db2.gz IQTLGRFYYUCJSK-DZGCQCFKSA-N 2 0 279.428 1.032 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001568700159 1169437925 /nfs/dbraw/zinc/43/79/25/1169437925.db2.gz LISFHBMXLYMJTJ-ZIAGYGMSSA-N 2 0 267.417 1.080 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001276983648 941774699 /nfs/dbraw/zinc/77/46/99/941774699.db2.gz PDDOBGDEHKUPDR-BPUTZDHNSA-N 2 0 291.439 1.389 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001277189606 942151334 /nfs/dbraw/zinc/15/13/34/942151334.db2.gz QVCSXKCNILPEMI-HNNXBMFYSA-N 2 0 291.439 1.511 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001280174912 942421905 /nfs/dbraw/zinc/42/19/05/942421905.db2.gz ZWNZCJYPQZSGAL-ZDUSSCGKSA-N 2 0 287.835 1.519 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001280544608 942459612 /nfs/dbraw/zinc/45/96/12/942459612.db2.gz COZKGMDKOZYDNM-UHFFFAOYSA-N 2 0 279.428 1.677 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001281458367 942579242 /nfs/dbraw/zinc/57/92/42/942579242.db2.gz OQSMOIRHGZPLIH-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001281956968 942636527 /nfs/dbraw/zinc/63/65/27/942636527.db2.gz NRDZHRDMMREPNQ-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001264157872 944091484 /nfs/dbraw/zinc/09/14/84/944091484.db2.gz VVQBLRFVMYGDLC-KGLIPLIRSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264399823 944126790 /nfs/dbraw/zinc/12/67/90/944126790.db2.gz MWNAUJMLXNZJGA-LVQVYYBASA-N 2 0 293.455 1.920 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001265397358 944372992 /nfs/dbraw/zinc/37/29/92/944372992.db2.gz XGLIPZVHCHEUGU-HNNXBMFYSA-N 2 0 279.428 1.132 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265704840 944476351 /nfs/dbraw/zinc/47/63/51/944476351.db2.gz AQSPZYUZFWZTPR-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001265783600 944508301 /nfs/dbraw/zinc/50/83/01/944508301.db2.gz NSNJZSARDMXJLV-ZBFHGGJFSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001266008790 944625161 /nfs/dbraw/zinc/62/51/61/944625161.db2.gz JQYLUIZJFPDPBS-KKUMJFAQSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001266006031 944625854 /nfs/dbraw/zinc/62/58/54/944625854.db2.gz GZQWQXNOIUZXPB-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266222205 944767432 /nfs/dbraw/zinc/76/74/32/944767432.db2.gz PRTQVTYYXVBXDV-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001279416229 944802754 /nfs/dbraw/zinc/80/27/54/944802754.db2.gz NAMVRWOABNOHDU-GASCZTMLSA-N 2 0 279.428 1.293 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001479375033 971314613 /nfs/dbraw/zinc/31/46/13/971314613.db2.gz LPQGCJKLNDVFBB-RBSFLKMASA-N 2 0 279.428 1.531 10 30 CDEERP CCC1([NH+](C)C)CCN(C(=O)NCC#CC[NH+](C)C)CC1 ZINC001256584367 948356250 /nfs/dbraw/zinc/35/62/50/948356250.db2.gz CIGDNFAQTOUULD-UHFFFAOYSA-N 2 0 294.443 1.067 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001278995295 948539374 /nfs/dbraw/zinc/53/93/74/948539374.db2.gz DZCYGBVAGOIJDC-CYBMUJFWSA-N 2 0 269.433 1.635 10 30 CDEERP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001479988564 971525025 /nfs/dbraw/zinc/52/50/25/971525025.db2.gz RDGLPMXVQCRVRH-CQSZACIVSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001278505410 949037617 /nfs/dbraw/zinc/03/76/17/949037617.db2.gz RGLIAYUOSXNPNA-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480143103 971600578 /nfs/dbraw/zinc/60/05/78/971600578.db2.gz YQSMTOYODBGNBM-HDJSIYSDSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001480174688 971613767 /nfs/dbraw/zinc/61/37/67/971613767.db2.gz YEWKLTVRPHMEJH-KKUMJFAQSA-N 2 0 279.428 1.674 10 30 CDEERP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480187798 971617182 /nfs/dbraw/zinc/61/71/82/971617182.db2.gz DRMYNYZSDSSRNN-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278572713 950213291 /nfs/dbraw/zinc/21/32/91/950213291.db2.gz QKKMQQMLGJRRJL-GOEBONIOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001480617183 971810407 /nfs/dbraw/zinc/81/04/07/971810407.db2.gz ZZCCAIGATNQZAT-HNNXBMFYSA-N 2 0 291.439 1.772 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480664737 971830226 /nfs/dbraw/zinc/83/02/26/971830226.db2.gz DPQDQXCNHRGCLU-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480794212 971882909 /nfs/dbraw/zinc/88/29/09/971882909.db2.gz WQNFDTUOURCWFT-JKSUJKDBSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001327529225 954921133 /nfs/dbraw/zinc/92/11/33/954921133.db2.gz GUKHHPRXUSPCRJ-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001491815956 955447163 /nfs/dbraw/zinc/44/71/63/955447163.db2.gz IYWJFDUWELBRON-AWEZNQCLSA-N 2 0 277.412 1.239 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001328928540 955561389 /nfs/dbraw/zinc/56/13/89/955561389.db2.gz STTIVFHCUWMACE-UHFFFAOYSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001329197914 955751463 /nfs/dbraw/zinc/75/14/63/955751463.db2.gz WRIMZUHNHCBBAN-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001330686516 956568507 /nfs/dbraw/zinc/56/85/07/956568507.db2.gz MAOCASUKHFRFTQ-VGWMRTNUSA-N 2 0 293.455 1.777 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001569246806 1169735253 /nfs/dbraw/zinc/73/52/53/1169735253.db2.gz QDXBWHHPLBEEHB-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001331473456 957087204 /nfs/dbraw/zinc/08/72/04/957087204.db2.gz FRTMNISUPKNCRP-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001316943237 957143534 /nfs/dbraw/zinc/14/35/34/957143534.db2.gz FACUQQHAGZFCRM-GJZGRUSLSA-N 2 0 299.434 1.823 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317194293 957336914 /nfs/dbraw/zinc/33/69/14/957336914.db2.gz WYZXCFPZGGEICF-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001317276630 957400083 /nfs/dbraw/zinc/40/00/83/957400083.db2.gz PNHPVODVEQRIHO-CQSZACIVSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001317535697 957533889 /nfs/dbraw/zinc/53/38/89/957533889.db2.gz KARCXDRHCFFUMG-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C(C)(C)C ZINC001332806589 957851744 /nfs/dbraw/zinc/85/17/44/957851744.db2.gz LQAQIZSHFOJOJP-CABCVRRESA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001318686075 958228946 /nfs/dbraw/zinc/22/89/46/958228946.db2.gz HYZWJHOJPZWRAY-GOEBONIOSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001494906787 972335321 /nfs/dbraw/zinc/33/53/21/972335321.db2.gz VBYPMALZCDNVGN-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001319146371 958394527 /nfs/dbraw/zinc/39/45/27/958394527.db2.gz ZQVKRQWNKDPEAB-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001494981857 972361799 /nfs/dbraw/zinc/36/17/99/972361799.db2.gz URKBGVLPDUMBNL-HOTGVXAUSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCCC1 ZINC001319663401 958678246 /nfs/dbraw/zinc/67/82/46/958678246.db2.gz NALDASCESAWHPV-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320414741 959154833 /nfs/dbraw/zinc/15/48/33/959154833.db2.gz LBQTZVMURUQXNM-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001368888013 959228283 /nfs/dbraw/zinc/22/82/83/959228283.db2.gz AEFUQSSTTBGEFI-RYUDHWBXSA-N 2 0 275.824 1.562 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001321084008 959581510 /nfs/dbraw/zinc/58/15/10/959581510.db2.gz NESJOYLXUCUSHR-LLYBFZRZSA-N 2 0 279.428 1.699 10 30 CDEERP C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001495247814 972458242 /nfs/dbraw/zinc/45/82/42/972458242.db2.gz FYWXPJHVIPGDKW-DOTOQJQBSA-N 2 0 291.439 1.367 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001495396967 972487356 /nfs/dbraw/zinc/48/73/56/972487356.db2.gz OZYBHGCAKUKNHG-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001323089202 960442563 /nfs/dbraw/zinc/44/25/63/960442563.db2.gz LFTPFQWMHGVJKC-HNNXBMFYSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)CC[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001323970192 961080947 /nfs/dbraw/zinc/08/09/47/961080947.db2.gz PTWBAFLENXUDPT-UHFFFAOYSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001324220502 961244792 /nfs/dbraw/zinc/24/47/92/961244792.db2.gz IXMDDCMKNVUDCX-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC001340751001 963108277 /nfs/dbraw/zinc/10/82/77/963108277.db2.gz MEYHKIKIJJPEDF-KBPBESRZSA-N 2 0 265.401 1.223 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H](C)CC[NH+](CC)CC)CCC[NH2+]1 ZINC001341948545 963585481 /nfs/dbraw/zinc/58/54/81/963585481.db2.gz AXMCZVQMXYPCBZ-GOEBONIOSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001342308897 963705507 /nfs/dbraw/zinc/70/55/07/963705507.db2.gz ZXYLFAOYJXBZCJ-BBRMVZONSA-N 2 0 281.444 1.894 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C[NH2+]C(C)(C)C ZINC001556465990 965044435 /nfs/dbraw/zinc/04/44/35/965044435.db2.gz FUDRQLALQIZYAJ-UHFFFAOYSA-N 2 0 255.406 1.341 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001544168279 967342235 /nfs/dbraw/zinc/34/22/35/967342235.db2.gz FFLBNQIRUPEYPM-GJZGRUSLSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC001544237755 967349103 /nfs/dbraw/zinc/34/91/03/967349103.db2.gz MQWYUUZBTGJXSP-CQSZACIVSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001354645851 968823634 /nfs/dbraw/zinc/82/36/34/968823634.db2.gz UQGCQTLABSKJSJ-QWRGUYRKSA-N 2 0 275.343 1.031 10 30 CDEERP C[C@@H](CCC#N)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460943859 969569469 /nfs/dbraw/zinc/56/94/69/969569469.db2.gz MYALDBPVINFURK-HNNXBMFYSA-N 2 0 279.428 1.991 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001496249244 972858367 /nfs/dbraw/zinc/85/83/67/972858367.db2.gz OKDPKWDSYAOHKW-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=C(Cl)CN1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001372539202 973005415 /nfs/dbraw/zinc/00/54/15/973005415.db2.gz AUULZIDAAWCNLN-GFCCVEGCSA-N 2 0 273.808 1.271 10 30 CDEERP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001496734517 973074673 /nfs/dbraw/zinc/07/46/73/973074673.db2.gz GAKNIJNRXSRBCD-HNNXBMFYSA-N 2 0 281.444 1.683 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497877697 973562242 /nfs/dbraw/zinc/56/22/42/973562242.db2.gz OCCKJJRXOWAJIG-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001497949163 973586195 /nfs/dbraw/zinc/58/61/95/973586195.db2.gz UCGWYBOCIKCHEW-CQSZACIVSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001498399891 973888234 /nfs/dbraw/zinc/88/82/34/973888234.db2.gz ROCUYPFGONZHKS-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001499858484 974316544 /nfs/dbraw/zinc/31/65/44/974316544.db2.gz WQTRKCDXPBJSFF-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001501422584 974582520 /nfs/dbraw/zinc/58/25/20/974582520.db2.gz WKACAOXIUVHEML-UONOGXRCSA-N 2 0 265.401 1.047 10 30 CDEERP C=CC[NH2+]C1(CC)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001502506645 974745812 /nfs/dbraw/zinc/74/58/12/974745812.db2.gz UDABJPLVCDPABP-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001502805543 974787054 /nfs/dbraw/zinc/78/70/54/974787054.db2.gz KFTHNEBFUWLLHL-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC[C@H](C)F ZINC001503263320 974817373 /nfs/dbraw/zinc/81/73/73/974817373.db2.gz GZWMRKPTJCURGQ-KKUMJFAQSA-N 2 0 297.418 1.317 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001505408177 974863124 /nfs/dbraw/zinc/86/31/24/974863124.db2.gz HCSOYAXUPKQBSK-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001505506079 974896564 /nfs/dbraw/zinc/89/65/64/974896564.db2.gz IRHKSNYOOUJXNA-UHFFFAOYSA-N 2 0 291.439 1.675 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001506936901 975266651 /nfs/dbraw/zinc/26/66/51/975266651.db2.gz WUSMSEURWYBVQM-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001507011398 975294920 /nfs/dbraw/zinc/29/49/20/975294920.db2.gz MLNUPBIGVMYDEN-CQSZACIVSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001507408660 975457903 /nfs/dbraw/zinc/45/79/03/975457903.db2.gz DYIOGAQJLLZNGM-ZBFHGGJFSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001675480643 1174118353 /nfs/dbraw/zinc/11/83/53/1174118353.db2.gz RGLLWCUVPPKHIR-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1(C)C ZINC001677004818 1174308318 /nfs/dbraw/zinc/30/83/18/1174308318.db2.gz ZEIIBJCLFCBFGZ-UONOGXRCSA-N 2 0 297.418 1.126 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001677441829 1174360880 /nfs/dbraw/zinc/36/08/80/1174360880.db2.gz UAZZPUDRQKINNR-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001671250951 1171093733 /nfs/dbraw/zinc/09/37/33/1171093733.db2.gz GXZCBKGXRJKWGF-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000594427076 342897307 /nfs/dbraw/zinc/89/73/07/342897307.db2.gz SOPLCHTYZDMSFL-CQSZACIVSA-N 2 0 278.400 1.141 10 30 CDEERP N#CC1(C[C@@H](O)C[NH2+]CCC[NH+]2CCCC2)CCOCC1 ZINC000600714775 342242777 /nfs/dbraw/zinc/24/27/77/342242777.db2.gz PDCDFHTVXISCAN-OAHLLOKOSA-N 2 0 295.427 1.133 10 30 CDEERP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C(C)(C)C ZINC000600723324 342245006 /nfs/dbraw/zinc/24/50/06/342245006.db2.gz KRAXLYKNEHSFTF-KBPBESRZSA-N 2 0 281.444 1.997 10 30 CDEERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600725212 342245198 /nfs/dbraw/zinc/24/51/98/342245198.db2.gz DNSOUADSJNYTGC-NRXISQOPSA-N 2 0 279.428 1.751 10 30 CDEERP C=CCCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000091593934 342405815 /nfs/dbraw/zinc/40/58/15/342405815.db2.gz MSJWHFHHKBUZPZ-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[C@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000641766934 365828578 /nfs/dbraw/zinc/82/85/78/365828578.db2.gz FNAPKTLNNYDAPH-OAHLLOKOSA-N 2 0 284.363 1.440 10 30 CDEERP Cc1csc(CNC(NCCC[NH+](C)C)=[NH+]C2CC2)n1 ZINC000075583535 346759441 /nfs/dbraw/zinc/75/94/41/346759441.db2.gz YWRCZDLOOGUWAK-UHFFFAOYSA-N 2 0 295.456 1.601 10 30 CDEERP C#CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001660699352 1172260473 /nfs/dbraw/zinc/26/04/73/1172260473.db2.gz AUQNPLGRPXDXKV-OAHLLOKOSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001661226903 1172355878 /nfs/dbraw/zinc/35/58/78/1172355878.db2.gz LEQDYSNIORWHLW-OAHLLOKOSA-N 2 0 279.428 1.132 10 30 CDEERP CC[NH+](CC#CC[N@@H+](CC)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000361597552 368926963 /nfs/dbraw/zinc/92/69/63/368926963.db2.gz ZDZRYHPWFRSFJD-HOTGVXAUSA-N 2 0 280.412 1.211 10 30 CDEERP C[C@H]1C[N@H+](CCCNCc2nc(C#N)cs2)CCCO1 ZINC000352862405 374362916 /nfs/dbraw/zinc/36/29/16/374362916.db2.gz OEKWYUAMWNHPIN-LBPRGKRZSA-N 2 0 294.424 1.605 10 30 CDEERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000422986835 374366113 /nfs/dbraw/zinc/36/61/13/374366113.db2.gz DKSBAYCVPWXYEL-BBRMVZONSA-N 2 0 273.380 1.915 10 30 CDEERP C=CC[C@]1(C(=O)NCC2([NH3+])CCCCCC2)CCC[NH2+]1 ZINC000662399175 412962861 /nfs/dbraw/zinc/96/28/61/412962861.db2.gz NYYLJRJFFICRTO-MRXNPFEDSA-N 2 0 279.428 1.853 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001662918498 1172614867 /nfs/dbraw/zinc/61/48/67/1172614867.db2.gz DLBRLAZBKBPOIF-HIFRSBDPSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC(C[NH2+]CC)CC2)CCC[NH2+]1 ZINC000662428067 413006217 /nfs/dbraw/zinc/00/62/17/413006217.db2.gz AOMRMQZFZALPBN-MRXNPFEDSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001663276194 1172665343 /nfs/dbraw/zinc/66/53/43/1172665343.db2.gz GBPWHZINSCTYHN-MRXNPFEDSA-N 2 0 299.434 1.823 10 30 CDEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])C(C)C ZINC000417062910 391341830 /nfs/dbraw/zinc/34/18/30/391341830.db2.gz MTYZXCAPZMZITH-QLFBSQMISA-N 2 0 296.459 1.720 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC(C[NH+](C)C)CC2)CCC[NH2+]1 ZINC000662682380 413305842 /nfs/dbraw/zinc/30/58/42/413305842.db2.gz DSWCHSROLYLBKX-MRXNPFEDSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000662700339 413338893 /nfs/dbraw/zinc/33/88/93/413338893.db2.gz HLXZIXQZMJZBPK-HIFRSBDPSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@]2(C)CCC[NH2+]C2)CCC[NH2+]1 ZINC000662766158 413462550 /nfs/dbraw/zinc/46/25/50/413462550.db2.gz ZFCOJUNTLUNFLG-HUUCEWRRSA-N 2 0 265.401 1.191 10 30 CDEERP COCCC[N@H+](CCOC)Cc1sccc1C#CC[NH3+] ZINC000043684092 175092070 /nfs/dbraw/zinc/09/20/70/175092070.db2.gz ZSFFBOSAHZJNIC-UHFFFAOYSA-N 2 0 296.436 1.543 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCC[NH2+]1 ZINC000662683132 424316037 /nfs/dbraw/zinc/31/60/37/424316037.db2.gz WOFRDHAUDWHKCP-LSDHHAIUSA-N 2 0 297.468 1.238 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000662781678 424456792 /nfs/dbraw/zinc/45/67/92/424456792.db2.gz XZKXNPPUAKUHHG-RDJZCZTQSA-N 2 0 291.439 1.533 10 30 CDEERP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001667426489 1173265505 /nfs/dbraw/zinc/26/55/05/1173265505.db2.gz ONCHNKSDJFIXCH-MRXNPFEDSA-N 2 0 293.455 1.520 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC2CCC2)CC1 ZINC001669483215 1173555681 /nfs/dbraw/zinc/55/56/81/1173555681.db2.gz XPPMZLRPEJZSCD-CQSZACIVSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001669832715 1173617559 /nfs/dbraw/zinc/61/75/59/1173617559.db2.gz HNFFMCYSVKPDSH-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001672979382 1173814624 /nfs/dbraw/zinc/81/46/24/1173814624.db2.gz XAFOTKXKRNHKGD-KOMQPUFPSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001673478239 1173860823 /nfs/dbraw/zinc/86/08/23/1173860823.db2.gz FCZBIRJLVQACJF-UHFFFAOYSA-N 2 0 297.443 1.064 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001698849501 1159088568 /nfs/dbraw/zinc/08/85/68/1159088568.db2.gz YAJFWTIHJGUUQT-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001670793912 1159857034 /nfs/dbraw/zinc/85/70/34/1159857034.db2.gz ZHXKJEGUBMRMGF-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001700890818 1160070916 /nfs/dbraw/zinc/07/09/16/1160070916.db2.gz XAVQXSXZHZEPJV-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP CC(C)C[NH+]1CCN(Cc2ccc(C#CC[NH3+])cc2)CC1 ZINC000055080710 519727212 /nfs/dbraw/zinc/72/72/12/519727212.db2.gz PEAKBHCNHGAIAG-UHFFFAOYSA-N 2 0 285.435 1.770 10 30 CDEERP CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C#CC[NH3+])c2)C1 ZINC000049232058 521623175 /nfs/dbraw/zinc/62/31/75/521623175.db2.gz SGPGTGVPJRUXHK-MRXNPFEDSA-N 2 0 285.391 1.211 10 30 CDEERP C[N@H+](CCOc1ccc(C#CC[NH3+])cc1)C1CCOCC1 ZINC000049609335 522903078 /nfs/dbraw/zinc/90/30/78/522903078.db2.gz HOCBKENZFAUBDN-UHFFFAOYSA-N 2 0 288.391 1.486 10 30 CDEERP CC#CC[N@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001677624878 1174380264 /nfs/dbraw/zinc/38/02/64/1174380264.db2.gz WTXUQFAYHZHLOO-HNNXBMFYSA-N 2 0 277.412 1.098 10 30 CDEERP [NH3+]CC#Cc1ccccc1C[N@@H+]1CCCSCC1 ZINC000049609937 527152857 /nfs/dbraw/zinc/15/28/57/527152857.db2.gz KCFCROQZGXJYHA-UHFFFAOYSA-N 2 0 260.406 1.936 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001690040031 1175355671 /nfs/dbraw/zinc/35/56/71/1175355671.db2.gz COTZCTYIRWRAIG-LSDHHAIUSA-N 2 0 297.418 1.270 10 30 CDEERP C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900607348 623286705 /nfs/dbraw/zinc/28/67/05/623286705.db2.gz BHVDCYSKMNALHZ-KBPBESRZSA-N 2 0 290.411 1.107 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000907262222 627584538 /nfs/dbraw/zinc/58/45/38/627584538.db2.gz WIFOXZLXEGBJPD-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000907432713 627665494 /nfs/dbraw/zinc/66/54/94/627665494.db2.gz PYEHMYBXFXAZAQ-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000911290580 629228049 /nfs/dbraw/zinc/22/80/49/629228049.db2.gz BNUVHYMLODYAHN-UHFFFAOYSA-N 2 0 297.443 1.064 10 30 CDEERP CCOCCC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000912499618 630042489 /nfs/dbraw/zinc/04/24/89/630042489.db2.gz VRPSLKUSNCCAAD-AWEZNQCLSA-N 2 0 298.475 1.841 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000913005908 630330330 /nfs/dbraw/zinc/33/03/30/630330330.db2.gz JQBYFTNVRXNFDX-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CCN1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266362155 1158510510 /nfs/dbraw/zinc/51/05/10/1158510510.db2.gz YSGGHSZQIHBRQL-CVEARBPZSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001671359426 1158716567 /nfs/dbraw/zinc/71/65/67/1158716567.db2.gz GFFXXBCBQZNAFA-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001699963231 1158868637 /nfs/dbraw/zinc/86/86/37/1158868637.db2.gz LMWJXZVDIDFROB-GJZGRUSLSA-N 2 0 291.439 1.036 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001691095514 1158906669 /nfs/dbraw/zinc/90/66/69/1158906669.db2.gz APLHWSAOVXABCN-OWCLPIDISA-N 2 0 291.439 1.367 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001691158480 1158938163 /nfs/dbraw/zinc/93/81/63/1158938163.db2.gz FYEGDGSNOFLTIF-HDJSIYSDSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1cncn1C ZINC001691414140 1159060149 /nfs/dbraw/zinc/06/01/49/1159060149.db2.gz ZQQKFTIAYYLCSD-CQSZACIVSA-N 2 0 276.384 1.071 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CC ZINC001670587642 1158655171 /nfs/dbraw/zinc/65/51/71/1158655171.db2.gz JFPWVOMAJYMXSR-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691098386 1158907602 /nfs/dbraw/zinc/90/76/02/1158907602.db2.gz JYANFZYJKAJCJC-GASCZTMLSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001480903289 1158994631 /nfs/dbraw/zinc/99/46/31/1158994631.db2.gz PXGAJYPMRPARHS-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001698849496 1159087943 /nfs/dbraw/zinc/08/79/43/1159087943.db2.gz YAJFWTIHJGUUQT-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001733046098 1160469643 /nfs/dbraw/zinc/46/96/43/1160469643.db2.gz VNUWIEWLZBXVFW-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000876720121 1165900483 /nfs/dbraw/zinc/90/04/83/1165900483.db2.gz CDJBAVCKVKXHPX-AWEZNQCLSA-N 2 0 299.846 1.980 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC001625759153 1165924950 /nfs/dbraw/zinc/92/49/50/1165924950.db2.gz GMYJRNWCWKMSOP-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691738264 1166848567 /nfs/dbraw/zinc/84/85/67/1166848567.db2.gz YTWAYHJHYDOMRU-GASCZTMLSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001565504024 1168153330 /nfs/dbraw/zinc/15/33/30/1168153330.db2.gz DDXSYGMVOFRJAF-CABCVRRESA-N 2 0 289.423 1.334 10 30 CDEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001567198820 1168616672 /nfs/dbraw/zinc/61/66/72/1168616672.db2.gz PCWGVSWOSASETJ-MRXNPFEDSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001567232215 1168631758 /nfs/dbraw/zinc/63/17/58/1168631758.db2.gz ULPIHEUMXXMGJD-HZPDHXFCSA-N 2 0 293.455 1.757 10 30 CDEERP C#CCC[NH+]1CC[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001567711672 1168931061 /nfs/dbraw/zinc/93/10/61/1168931061.db2.gz DVMRICJWIYFTDN-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001569005950 1169589844 /nfs/dbraw/zinc/58/98/44/1169589844.db2.gz BZCRYHQUMOLKII-GFCCVEGCSA-N 2 0 285.351 1.161 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001569305953 1169757855 /nfs/dbraw/zinc/75/78/55/1169757855.db2.gz DPPBBVNTTVKLML-CVEARBPZSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001569980835 1170053263 /nfs/dbraw/zinc/05/32/63/1170053263.db2.gz NHLIGAXBOWHPJR-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C ZINC001656567217 1171844434 /nfs/dbraw/zinc/84/44/34/1171844434.db2.gz PMCCTHKBUDNNEZ-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001660695208 1172259502 /nfs/dbraw/zinc/25/95/02/1172259502.db2.gz FMEWKKGJEGCWRN-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH+]1CCC(NC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001586803118 1172958932 /nfs/dbraw/zinc/95/89/32/1172958932.db2.gz XQEWKBCQBOKDMH-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001669583792 1173572866 /nfs/dbraw/zinc/57/28/66/1173572866.db2.gz APNYCMVZUOKMJM-KBPBESRZSA-N 2 0 269.433 1.633 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001672329339 1173766088 /nfs/dbraw/zinc/76/60/88/1173766088.db2.gz XAWQUBRMPZWGQB-LSDHHAIUSA-N 2 0 291.439 1.342 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001673982220 1173903857 /nfs/dbraw/zinc/90/38/57/1173903857.db2.gz QBJOZUBYQLRQLW-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001690405382 1175463808 /nfs/dbraw/zinc/46/38/08/1175463808.db2.gz JAPMXTYGUSOJQK-OWCLPIDISA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001692260756 1175719875 /nfs/dbraw/zinc/71/98/75/1175719875.db2.gz QDPOXTWPPUPCSI-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001698654802 1175887952 /nfs/dbraw/zinc/88/79/52/1175887952.db2.gz XHZZEVHVHGLCLT-CJNGLKHVSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001698685223 1175895644 /nfs/dbraw/zinc/89/56/44/1175895644.db2.gz OTYFSFLTSVSSDI-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001698927532 1175986639 /nfs/dbraw/zinc/98/66/39/1175986639.db2.gz FRYGBZOODVJVHQ-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001698938718 1175989440 /nfs/dbraw/zinc/98/94/40/1175989440.db2.gz NRWXXXRCNFVWIG-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698951276 1175994182 /nfs/dbraw/zinc/99/41/82/1175994182.db2.gz YIMUHHFXYNPMHB-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699363770 1176320950 /nfs/dbraw/zinc/32/09/50/1176320950.db2.gz UZQYMTWCIWYONK-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001699472626 1176433084 /nfs/dbraw/zinc/43/30/84/1176433084.db2.gz VWXGUUHFWFXYSR-KGLIPLIRSA-N 2 0 269.433 1.585 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001699670110 1176562569 /nfs/dbraw/zinc/56/25/69/1176562569.db2.gz FJUFDEYZVQSEJN-UHFFFAOYSA-N 2 0 277.412 1.124 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001699669189 1176562993 /nfs/dbraw/zinc/56/29/93/1176562993.db2.gz AIUYRLHGXNXJCM-UHFFFAOYSA-N 2 0 253.390 1.143 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001699971736 1176701669 /nfs/dbraw/zinc/70/16/69/1176701669.db2.gz YVKXGGPKLSNDEC-HOCLYGCPSA-N 2 0 293.455 1.588 10 30 CDEERP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001700016767 1176718548 /nfs/dbraw/zinc/71/85/48/1176718548.db2.gz KWEPRPPGOHPTAI-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001700442095 1176930693 /nfs/dbraw/zinc/93/06/93/1176930693.db2.gz MFIMRFFECKXORF-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001700488116 1176977383 /nfs/dbraw/zinc/97/73/83/1176977383.db2.gz RCZQFTIOIMSSIW-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001700574211 1177020502 /nfs/dbraw/zinc/02/05/02/1177020502.db2.gz NADFLOQNGWUHRS-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001700769051 1177123664 /nfs/dbraw/zinc/12/36/64/1177123664.db2.gz VNLNHYKIXQLSGR-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[N@H+](C)CCN(C(=O)CCC[NH+](C)C)C(C)C ZINC001700972436 1177217672 /nfs/dbraw/zinc/21/76/72/1177217672.db2.gz INSNJPNRYQWAQU-UHFFFAOYSA-N 2 0 281.444 1.520 10 30 CDEERP C#CCN1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001707064634 1177936996 /nfs/dbraw/zinc/93/69/96/1177936996.db2.gz YOJDLUVXWHGLNM-HOTGVXAUSA-N 2 0 291.439 1.273 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001713241617 1178448747 /nfs/dbraw/zinc/44/87/47/1178448747.db2.gz IJBIILQFRWTXAW-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001713324084 1178497834 /nfs/dbraw/zinc/49/78/34/1178497834.db2.gz CDDMOQAGMPQVKA-LBPRGKRZSA-N 2 0 285.351 1.161 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713378739 1178529642 /nfs/dbraw/zinc/52/96/42/1178529642.db2.gz IZFVMMMCAQARTG-KBPBESRZSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)CC[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001713471200 1178588485 /nfs/dbraw/zinc/58/84/85/1178588485.db2.gz DAMLVKCYDHPRHJ-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001713719683 1178721694 /nfs/dbraw/zinc/72/16/94/1178721694.db2.gz FWRZTYWMEXRNRA-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(Cl)CN(CCCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001713768468 1178745450 /nfs/dbraw/zinc/74/54/50/1178745450.db2.gz VZTWIJLLFYFYQM-CQSZACIVSA-N 2 0 299.846 1.804 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001713838555 1178787594 /nfs/dbraw/zinc/78/75/94/1178787594.db2.gz QTJWNKRDKAUAMH-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001714033130 1178937642 /nfs/dbraw/zinc/93/76/42/1178937642.db2.gz SPZHGZBIEBJJBL-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001714309814 1179078772 /nfs/dbraw/zinc/07/87/72/1179078772.db2.gz RTBJWVQXSXJWFV-NSHDSACASA-N 2 0 261.797 1.173 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001715467207 1179674606 /nfs/dbraw/zinc/67/46/06/1179674606.db2.gz ZPTSIMGDLBFONT-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715644152 1179751332 /nfs/dbraw/zinc/75/13/32/1179751332.db2.gz DHEHRDQDDXHCGH-BFHYXJOUSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001715914242 1179910569 /nfs/dbraw/zinc/91/05/69/1179910569.db2.gz PKDBGNVUIXWFPU-OGZRUICASA-N 2 0 293.455 1.945 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001716002693 1179976509 /nfs/dbraw/zinc/97/65/09/1179976509.db2.gz GVUXOZVQXYTIOU-HOCLYGCPSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001716244209 1180116859 /nfs/dbraw/zinc/11/68/59/1180116859.db2.gz QPYDCDKUNAHEPY-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001716451435 1180217551 /nfs/dbraw/zinc/21/75/51/1180217551.db2.gz OXYFUOSIIPBYFS-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001716984526 1180491590 /nfs/dbraw/zinc/49/15/90/1180491590.db2.gz KHIJYRJWKLLDQG-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001717111150 1180533249 /nfs/dbraw/zinc/53/32/49/1180533249.db2.gz MKHNMUCIZKGWMX-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001717337803 1180622703 /nfs/dbraw/zinc/62/27/03/1180622703.db2.gz ZWLREJUFXARJKZ-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCOCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001717437355 1180672895 /nfs/dbraw/zinc/67/28/95/1180672895.db2.gz FJOCVLIZOIELIF-KBPBESRZSA-N 2 0 297.443 1.014 10 30 CDEERP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001717661545 1180781785 /nfs/dbraw/zinc/78/17/85/1180781785.db2.gz QVYGRCSHQIAVJG-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCC)C2CC2)CC1 ZINC001723356822 1181543118 /nfs/dbraw/zinc/54/31/18/1181543118.db2.gz UFEWEHAAONHJQB-INIZCTEOSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001723797242 1181604924 /nfs/dbraw/zinc/60/49/24/1181604924.db2.gz WSBQFEWUXZQFJP-ZDUSSCGKSA-N 2 0 267.417 1.435 10 30 CDEERP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001725148158 1181882073 /nfs/dbraw/zinc/88/20/73/1181882073.db2.gz QCKAYSRIHQDFHC-HNNXBMFYSA-N 2 0 295.471 1.979 10 30 CDEERP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001725248276 1181936437 /nfs/dbraw/zinc/93/64/37/1181936437.db2.gz LVCPBPRAKILXCN-HIFRSBDPSA-N 2 0 297.418 1.126 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001725269016 1181946612 /nfs/dbraw/zinc/94/66/12/1181946612.db2.gz KTRYZKLDSZFWBW-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001725618168 1182074010 /nfs/dbraw/zinc/07/40/10/1182074010.db2.gz IAIWSSVGEFESQX-ARFHVFGLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001731515680 1182430684 /nfs/dbraw/zinc/43/06/84/1182430684.db2.gz GQDONOOJGMIXNV-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001731527293 1182436159 /nfs/dbraw/zinc/43/61/59/1182436159.db2.gz QZDZQUUKLIWMAT-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001731542431 1182444048 /nfs/dbraw/zinc/44/40/48/1182444048.db2.gz VLLDICPCSCOKSF-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001731665532 1182509447 /nfs/dbraw/zinc/50/94/47/1182509447.db2.gz ZQVRSQSCDHGHQG-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001731835261 1182616857 /nfs/dbraw/zinc/61/68/57/1182616857.db2.gz TZGPTQODAVJSEJ-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001732519168 1182995098 /nfs/dbraw/zinc/99/50/98/1182995098.db2.gz SOWOOWZFMYGZAB-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001732719582 1183098818 /nfs/dbraw/zinc/09/88/18/1183098818.db2.gz MMKFXXXDPINFOV-ILXRZTDVSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001733576116 1183469457 /nfs/dbraw/zinc/46/94/57/1183469457.db2.gz CLGRVQJFPZQYDR-GASCZTMLSA-N 2 0 279.428 1.295 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001733939172 1183576460 /nfs/dbraw/zinc/57/64/60/1183576460.db2.gz WCNLGYORPBNVJP-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001734126225 1183667817 /nfs/dbraw/zinc/66/78/17/1183667817.db2.gz RITWLXJVFCCOKI-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001734439267 1183779164 /nfs/dbraw/zinc/77/91/64/1183779164.db2.gz KCVHXOPMAXHFGT-GDBMZVCRSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001734458138 1183785403 /nfs/dbraw/zinc/78/54/03/1183785403.db2.gz KSDVNGVLNBAZFK-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[C@@H]1CCN1CC(=O)NC[C@H](C)[N@@H+]1CC[C@H]1CC=C ZINC000934463605 828338266 /nfs/dbraw/zinc/33/82/66/828338266.db2.gz XUWFBGUNBMHFCZ-ARFHVFGLSA-N 2 0 291.439 1.792 10 30 CDEERP C=C(C)C[NH+]1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925608714 828474651 /nfs/dbraw/zinc/47/46/51/828474651.db2.gz INIONYQTBVIZOG-HNNXBMFYSA-N 2 0 263.429 1.901 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877354411 823792582 /nfs/dbraw/zinc/79/25/82/823792582.db2.gz GWLOYMFSSZCZBM-YIZRAAEISA-N 2 0 299.724 1.052 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000855165437 823863942 /nfs/dbraw/zinc/86/39/42/823863942.db2.gz UZWLONWLXMTJQR-LBPRGKRZSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000876526133 824014488 /nfs/dbraw/zinc/01/44/88/824014488.db2.gz SUAILNUHLAAHJB-GHMZBOCLSA-N 2 0 259.781 1.057 10 30 CDEERP C[N@@H+]1CCN(CC[NH2+]Cc2csc(C#N)c2)CC1(C)C ZINC000922098731 824189669 /nfs/dbraw/zinc/18/96/69/824189669.db2.gz LWNPYAOOEGHUKC-UHFFFAOYSA-N 2 0 292.452 1.735 10 30 CDEERP C#C[C@@](C)(CC)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000852100354 824258193 /nfs/dbraw/zinc/25/81/93/824258193.db2.gz WKHJQORDAPTYBM-INIZCTEOSA-N 2 0 277.412 1.121 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000876539467 824353645 /nfs/dbraw/zinc/35/36/45/824353645.db2.gz HJPXWKCMHFCMLA-ZWNOBZJWSA-N 2 0 281.787 1.792 10 30 CDEERP CC(C)NC(=[NH2+])NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000304777807 824433734 /nfs/dbraw/zinc/43/37/34/824433734.db2.gz DRTKMBSYVSMJDD-UHFFFAOYSA-N 2 0 295.475 1.249 10 30 CDEERP C[NH+]=C(NCC1(C)CC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261964952 824585506 /nfs/dbraw/zinc/58/55/06/824585506.db2.gz LDJOUSXMPUXOMZ-CHWSQXEVSA-N 2 0 266.433 1.680 10 30 CDEERP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000923413762 824748611 /nfs/dbraw/zinc/74/86/11/824748611.db2.gz GUPVYRTVWJWCEB-YESZJQIVSA-N 2 0 285.391 1.666 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000876724355 824844484 /nfs/dbraw/zinc/84/44/84/824844484.db2.gz UYFRCBXVKJDHIH-AWEZNQCLSA-N 2 0 299.846 1.791 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000876967905 825323723 /nfs/dbraw/zinc/32/37/23/825323723.db2.gz MZWNLMKNDQZOBO-FGNRJIRKSA-N 2 0 271.792 1.198 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000876524606 828812425 /nfs/dbraw/zinc/81/24/25/828812425.db2.gz QVJZUVQTAAYKAG-LBPRGKRZSA-N 2 0 283.759 1.433 10 30 CDEERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000715569061 825727245 /nfs/dbraw/zinc/72/72/45/825727245.db2.gz GAZPMIKAVRIZKR-BFHYXJOUSA-N 2 0 280.416 1.387 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876842805 826879702 /nfs/dbraw/zinc/87/97/02/826879702.db2.gz LQLYSLUBBVDOJN-AAEUAGOBSA-N 2 0 271.792 1.058 10 30 CDEERP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303909737 827744847 /nfs/dbraw/zinc/74/48/47/827744847.db2.gz YLWJQTHZOWXIFR-QWHCGFSZSA-N 2 0 254.422 1.763 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872277050 828316824 /nfs/dbraw/zinc/31/68/24/828316824.db2.gz OBXVASQKKCGDER-WDEREUQCSA-N 2 0 273.808 1.351 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001502754782 1167774880 /nfs/dbraw/zinc/77/48/80/1167774880.db2.gz XBYVDUMMCIMNQQ-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483695188 912877605 /nfs/dbraw/zinc/87/76/05/912877605.db2.gz PSULQTGIWOUJDE-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001567350033 1168695643 /nfs/dbraw/zinc/69/56/43/1168695643.db2.gz BTSJTFUTQXYVSD-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001480863949 894072598 /nfs/dbraw/zinc/07/25/98/894072598.db2.gz HYLQNHQQDBUBPW-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001266465922 894988463 /nfs/dbraw/zinc/98/84/63/894988463.db2.gz FRIXGPZSOYHTFR-OAHLLOKOSA-N 2 0 279.428 1.132 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001267148181 896919882 /nfs/dbraw/zinc/91/98/82/896919882.db2.gz HZOHJEHRYJJAOG-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001267257458 897357699 /nfs/dbraw/zinc/35/76/99/897357699.db2.gz WUHKFXSKSVZNSB-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001267257457 897358525 /nfs/dbraw/zinc/35/85/25/897358525.db2.gz WUHKFXSKSVZNSB-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[N@@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267567401 898390448 /nfs/dbraw/zinc/39/04/48/898390448.db2.gz BXEIOABJKYOYJQ-HNNXBMFYSA-N 2 0 291.439 1.487 10 30 CDEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001567633686 1168896252 /nfs/dbraw/zinc/89/62/52/1168896252.db2.gz MWTSGPDETOEABG-GDBMZVCRSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267639088 899123627 /nfs/dbraw/zinc/12/36/27/899123627.db2.gz XYUBWWHUVMYGFX-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001481246015 899624909 /nfs/dbraw/zinc/62/49/09/899624909.db2.gz OAGIHZIJCIAHBZ-KGLIPLIRSA-N 2 0 299.846 1.804 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567684307 1168916085 /nfs/dbraw/zinc/91/60/85/1168916085.db2.gz DAIVYINDIVCMJZ-LSDHHAIUSA-N 2 0 281.444 1.826 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268000783 900237944 /nfs/dbraw/zinc/23/79/44/900237944.db2.gz PFKSTEHQCJDFNH-KKUMJFAQSA-N 2 0 281.444 1.635 10 30 CDEERP C#CCC[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001567741998 1168944970 /nfs/dbraw/zinc/94/49/70/1168944970.db2.gz KAMNPCHDJSRMKW-MRXNPFEDSA-N 2 0 293.455 1.522 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001268252814 901671644 /nfs/dbraw/zinc/67/16/44/901671644.db2.gz GQEVBJDLMGOHIF-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001482065331 902583146 /nfs/dbraw/zinc/58/31/46/902583146.db2.gz ZFIYUHUTVRMGGO-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001284195349 902667813 /nfs/dbraw/zinc/66/78/13/902667813.db2.gz JZPDJIFACPIFQD-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001268775023 903112943 /nfs/dbraw/zinc/11/29/43/903112943.db2.gz ZYXLGUZEIBDRDE-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001270121205 904377545 /nfs/dbraw/zinc/37/75/45/904377545.db2.gz KYLTYWDFLLEXIM-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001270566848 904740163 /nfs/dbraw/zinc/74/01/63/904740163.db2.gz DLYYLCZRSGUMLX-KBPBESRZSA-N 2 0 267.417 1.246 10 30 CDEERP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001482645857 908109509 /nfs/dbraw/zinc/10/95/09/908109509.db2.gz JEVKXZVBNVPSTJ-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482831291 908410917 /nfs/dbraw/zinc/41/09/17/908410917.db2.gz JSMQYEYJKJKNKK-GJZGRUSLSA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001568120052 1169140539 /nfs/dbraw/zinc/14/05/39/1169140539.db2.gz MPHWWXGBAVXQMO-UHFFFAOYSA-N 2 0 289.423 1.920 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001484617982 915953535 /nfs/dbraw/zinc/95/35/35/915953535.db2.gz VWRJFQABAITFNW-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001484634908 915963720 /nfs/dbraw/zinc/96/37/20/915963720.db2.gz YFDJEKMDRSUVPU-OAHLLOKOSA-N 2 0 291.439 1.533 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485076937 916476645 /nfs/dbraw/zinc/47/66/45/916476645.db2.gz LNJBSWSUCGGEHG-JKSUJKDBSA-N 2 0 293.455 1.519 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485192938 916654203 /nfs/dbraw/zinc/65/42/03/916654203.db2.gz YPFAVPSCFLFVOI-NEPJUHHUSA-N 2 0 287.835 1.564 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001485507570 917050736 /nfs/dbraw/zinc/05/07/36/917050736.db2.gz XMXMBHFWYWYURG-HIFRSBDPSA-N 2 0 299.434 1.679 10 30 CDEERP C#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001279169613 917220356 /nfs/dbraw/zinc/22/03/56/917220356.db2.gz HLGDYGCWCPDZAY-JKSUJKDBSA-N 2 0 291.439 1.036 10 30 CDEERP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001486133328 920736083 /nfs/dbraw/zinc/73/60/83/920736083.db2.gz AVVXANWOYVYNMA-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001486247084 920839441 /nfs/dbraw/zinc/83/94/41/920839441.db2.gz XXDLBIIJVNNPCL-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C(C)(C)C ZINC001486399732 920964870 /nfs/dbraw/zinc/96/48/70/920964870.db2.gz WZENMEPBFHGVJF-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001273075717 921916855 /nfs/dbraw/zinc/91/68/55/921916855.db2.gz ISRCXBJYCSICBQ-CQSZACIVSA-N 2 0 287.407 1.479 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001649441743 1169254727 /nfs/dbraw/zinc/25/47/27/1169254727.db2.gz NYSKAVWBHMHXAN-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001491537882 936930330 /nfs/dbraw/zinc/93/03/30/936930330.db2.gz GKWKBZFUZTYMDL-AWEZNQCLSA-N 2 0 287.407 1.132 10 30 CDEERP C=CCO[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001119544006 925375758 /nfs/dbraw/zinc/37/57/58/925375758.db2.gz AAGSVSCINVLQRT-JALIKCBVSA-N 2 0 250.386 1.794 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001488880234 926748978 /nfs/dbraw/zinc/74/89/78/926748978.db2.gz PWIUQKUZUUEWAP-HDJSIYSDSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001489288373 926852971 /nfs/dbraw/zinc/85/29/71/926852971.db2.gz AKCQIWRBFKNCPW-HZSPNIEDSA-N 2 0 267.417 1.338 10 30 CDEERP C=CCCC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001495298768 926963213 /nfs/dbraw/zinc/96/32/13/926963213.db2.gz KGVYHIDCHVRKHY-YOEHRIQHSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001274825190 931586580 /nfs/dbraw/zinc/58/65/80/931586580.db2.gz NFDOMWJFQXLGNY-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001275305705 931730547 /nfs/dbraw/zinc/73/05/47/931730547.db2.gz XIAJRAQXGDRABE-UHFFFAOYSA-N 2 0 293.455 1.777 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001276013427 932236242 /nfs/dbraw/zinc/23/62/42/932236242.db2.gz XUPLBRDHCGXHBO-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[C@@H]1C[NH3+])C(C)C ZINC001121909236 937889224 /nfs/dbraw/zinc/88/92/24/937889224.db2.gz KFLIHDHXAPFAGI-KFWWJZLASA-N 2 0 279.428 1.396 10 30 CDEERP CC#CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001276414825 939698513 /nfs/dbraw/zinc/69/85/13/939698513.db2.gz XZVGNXIQYGNMNC-AWEZNQCLSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CN1CC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001276923497 941700934 /nfs/dbraw/zinc/70/09/34/941700934.db2.gz JGKBHEDZVUQZOJ-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001277282491 942284501 /nfs/dbraw/zinc/28/45/01/942284501.db2.gz BZIMUHGHXXEZAK-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001282716240 942743728 /nfs/dbraw/zinc/74/37/28/942743728.db2.gz IAWXIJBZKPMSNS-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283179887 942847439 /nfs/dbraw/zinc/84/74/39/942847439.db2.gz ZOHPATNODVHMQB-RBSFLKMASA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001283618544 942950106 /nfs/dbraw/zinc/95/01/06/942950106.db2.gz VMTVRGPZWYERKX-KBPBESRZSA-N 2 0 267.417 1.032 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001277756609 943480815 /nfs/dbraw/zinc/48/08/15/943480815.db2.gz PQIUCWFWIPBZMV-ZIAGYGMSSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001264742725 944172586 /nfs/dbraw/zinc/17/25/86/944172586.db2.gz DQQHLAHSJPSVQR-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001264745668 944172706 /nfs/dbraw/zinc/17/27/06/944172706.db2.gz PBGDVNYCNSPQDW-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001265655990 944458363 /nfs/dbraw/zinc/45/83/63/944458363.db2.gz UDKJUMMIKFIKTQ-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001265813415 944518114 /nfs/dbraw/zinc/51/81/14/944518114.db2.gz QLUIMXMXEFQOEB-ILXRZTDVSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001265946584 944589313 /nfs/dbraw/zinc/58/93/13/944589313.db2.gz HGXVNWHKOYKVHT-UHFFFAOYSA-N 2 0 297.443 1.111 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001266075479 944665764 /nfs/dbraw/zinc/66/57/64/944665764.db2.gz NWPGKAXINIYBDE-CVEARBPZSA-N 2 0 293.455 1.759 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001266182529 944738414 /nfs/dbraw/zinc/73/84/14/944738414.db2.gz JUSBKQWOXBKXMB-CQSZACIVSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH+]1CCC(C2(NC(=O)CCC[NH+](C)C)CC2)CC1 ZINC001279360417 944797775 /nfs/dbraw/zinc/79/77/75/944797775.db2.gz NMUWGYUOUBCTSN-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001278324093 946152492 /nfs/dbraw/zinc/15/24/92/946152492.db2.gz CICQKHNLSJXSCC-OLZOCXBDSA-N 2 0 253.390 1.092 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001479833345 971441485 /nfs/dbraw/zinc/44/14/85/971441485.db2.gz XVYCBQWSCFUOKI-HOTGVXAUSA-N 2 0 293.455 1.709 10 30 CDEERP C#CCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001278459720 948382011 /nfs/dbraw/zinc/38/20/11/948382011.db2.gz NNCLCOHYUIVYHY-ZBFHGGJFSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001569013448 1169594892 /nfs/dbraw/zinc/59/48/92/1169594892.db2.gz OFVCXLHMPPJICW-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001479969027 971517567 /nfs/dbraw/zinc/51/75/67/971517567.db2.gz RGEZTOFDPKKRKI-LSDHHAIUSA-N 2 0 291.439 1.627 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001278497615 948926813 /nfs/dbraw/zinc/92/68/13/948926813.db2.gz CTHWWPKPQAUFKT-BFYDXBDKSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001480020315 971541526 /nfs/dbraw/zinc/54/15/26/971541526.db2.gz RICKBTZTLCKAMM-GJZGRUSLSA-N 2 0 279.428 1.530 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001480170962 971612400 /nfs/dbraw/zinc/61/24/00/971612400.db2.gz IBVVTPHHIQVKDX-KKUMJFAQSA-N 2 0 279.428 1.674 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001480173222 971612620 /nfs/dbraw/zinc/61/26/20/971612620.db2.gz BQPDHZPYGXKFJG-SHTZXODSSA-N 2 0 277.412 1.123 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001480211238 971630532 /nfs/dbraw/zinc/63/05/32/971630532.db2.gz LBWSVULVYPZGCA-OKILXGFUSA-N 2 0 277.412 1.428 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001480254595 971649821 /nfs/dbraw/zinc/64/98/21/971649821.db2.gz FTUWDQQVLLGUBQ-LSDHHAIUSA-N 2 0 299.434 1.681 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480287661 971659014 /nfs/dbraw/zinc/65/90/14/971659014.db2.gz GADHUEOELYDIMD-HOTGVXAUSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001569118681 1169664464 /nfs/dbraw/zinc/66/44/64/1169664464.db2.gz UUEALXCXCRBRSM-QLFBSQMISA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480657726 971827467 /nfs/dbraw/zinc/82/74/67/971827467.db2.gz AJZALVGPQMXLHX-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001480763221 971870209 /nfs/dbraw/zinc/87/02/09/971870209.db2.gz ATZZWLULXSHLIL-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001480792423 971880214 /nfs/dbraw/zinc/88/02/14/971880214.db2.gz NDJUCJLUMSTDQN-CYBMUJFWSA-N 2 0 269.433 1.635 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001325456094 953910659 /nfs/dbraw/zinc/91/06/59/953910659.db2.gz NRIIHHKHMBECIX-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001325454314 953911020 /nfs/dbraw/zinc/91/10/20/953911020.db2.gz FCFJWFBBVDYXMO-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001328281415 955250849 /nfs/dbraw/zinc/25/08/49/955250849.db2.gz CPKMQWFPSPPFDF-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001493599684 972085062 /nfs/dbraw/zinc/08/50/62/972085062.db2.gz GQCTXRXDKSAJBQ-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001491965100 955548753 /nfs/dbraw/zinc/54/87/53/955548753.db2.gz GZDFAIQSNKDLBM-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001492316340 955797981 /nfs/dbraw/zinc/79/79/81/955797981.db2.gz NGQYKHGWDGMFPF-UHFFFAOYSA-N 2 0 286.379 1.880 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001493869918 972130630 /nfs/dbraw/zinc/13/06/30/972130630.db2.gz BVONDSYOTILMTL-MRXNPFEDSA-N 2 0 295.471 1.813 10 30 CDEERP C#CCN(C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001492383516 955848008 /nfs/dbraw/zinc/84/80/08/955848008.db2.gz DBZCSHKYPZYVFT-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001422293146 955920425 /nfs/dbraw/zinc/92/04/25/955920425.db2.gz JLXYBBSTBLASDR-WXRRBKDZSA-N 2 0 287.835 1.564 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001317322765 956115381 /nfs/dbraw/zinc/11/53/81/956115381.db2.gz NGNLUCQVAVAEQH-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001569231813 1169730286 /nfs/dbraw/zinc/73/02/86/1169730286.db2.gz ARWYNEQPVBLIFA-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C#CCN1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001330087434 956269855 /nfs/dbraw/zinc/26/98/55/956269855.db2.gz YZOVUAUFADWFIO-HOCLYGCPSA-N 2 0 291.439 1.177 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001330839979 956660057 /nfs/dbraw/zinc/66/00/57/956660057.db2.gz BPOHXYDLPUNIGU-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001331559978 957137660 /nfs/dbraw/zinc/13/76/60/957137660.db2.gz IBMGFYNSMVNPLZ-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317140585 957301209 /nfs/dbraw/zinc/30/12/09/957301209.db2.gz QZGITJGVEXETDF-HNNXBMFYSA-N 2 0 295.471 1.979 10 30 CDEERP CC#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001317216898 957348122 /nfs/dbraw/zinc/34/81/22/957348122.db2.gz JIFLEWUVYPUXKG-GPANFISMSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317456873 957488523 /nfs/dbraw/zinc/48/85/23/957488523.db2.gz PKXQZMLEWJRGFZ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001317511890 957519960 /nfs/dbraw/zinc/51/99/60/957519960.db2.gz VPNISCANZDILND-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001317877332 957705909 /nfs/dbraw/zinc/70/59/09/957705909.db2.gz WWYIDRHQYXFWFN-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001333319182 958246638 /nfs/dbraw/zinc/24/66/38/958246638.db2.gz BODVIXYNDSVBSM-LBPRGKRZSA-N 2 0 267.760 1.231 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001319372771 958523716 /nfs/dbraw/zinc/52/37/16/958523716.db2.gz PXSMCGITAJWPRR-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001569304898 1169754701 /nfs/dbraw/zinc/75/47/01/1169754701.db2.gz UYSTVVKDUAUPPM-HRCADAONSA-N 2 0 293.455 1.777 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001319593733 958642907 /nfs/dbraw/zinc/64/29/07/958642907.db2.gz QMKHXYMQPYFHDK-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320524490 959222575 /nfs/dbraw/zinc/22/25/75/959222575.db2.gz ZUUSJAUDAMEMIQ-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001320756921 959374043 /nfs/dbraw/zinc/37/40/43/959374043.db2.gz UNCVSKWTYGRCIG-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320841511 959421041 /nfs/dbraw/zinc/42/10/41/959421041.db2.gz ZHOYCXCAAUHKRK-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001320861563 959428302 /nfs/dbraw/zinc/42/83/02/959428302.db2.gz APZNQBFEFBZUIT-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001321097537 959589112 /nfs/dbraw/zinc/58/91/12/959589112.db2.gz OZKGLXJPSMPZBU-NFAHFFEMSA-N 2 0 277.412 1.146 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001321113610 959601867 /nfs/dbraw/zinc/60/18/67/959601867.db2.gz ZMLUURRAKRLJPM-DKLOGILVSA-N 2 0 289.423 1.289 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1CC ZINC001323166576 960490696 /nfs/dbraw/zinc/49/06/96/960490696.db2.gz DEYDESXTTUUBGR-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CC1 ZINC001323459249 960749295 /nfs/dbraw/zinc/74/92/95/960749295.db2.gz GILKGMUGUNHOLV-HNNXBMFYSA-N 2 0 289.423 1.123 10 30 CDEERP C=CCC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001323831901 960988070 /nfs/dbraw/zinc/98/80/70/960988070.db2.gz IYZYMXACVGHHGV-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323858421 961007607 /nfs/dbraw/zinc/00/76/07/961007607.db2.gz CJGFUKNPFRRJQK-MRXNPFEDSA-N 2 0 279.428 1.439 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001324175392 961214936 /nfs/dbraw/zinc/21/49/36/961214936.db2.gz MXYHZSNEAIAOLB-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001440755699 964161870 /nfs/dbraw/zinc/16/18/70/964161870.db2.gz HSQMFLIDGIEBHO-WXRRBKDZSA-N 2 0 285.819 1.318 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001479888508 965649723 /nfs/dbraw/zinc/64/97/23/965649723.db2.gz HSPFFZCGUVVQHQ-UHFFFAOYSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001480474116 967948100 /nfs/dbraw/zinc/94/81/00/967948100.db2.gz HNCGNEYBLCBPBY-GFCCVEGCSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001569642162 1169949553 /nfs/dbraw/zinc/94/95/53/1169949553.db2.gz YGSAPXJWMUWYJX-GOEBONIOSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001373243090 973323066 /nfs/dbraw/zinc/32/30/66/973323066.db2.gz FJMRINUEJIPMEA-AWEZNQCLSA-N 2 0 299.846 1.663 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001497500514 973369135 /nfs/dbraw/zinc/36/91/35/973369135.db2.gz HPQHBCXDFPWTTJ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001497988117 973601110 /nfs/dbraw/zinc/60/11/10/973601110.db2.gz UVJZVPKAZFHMLD-LSDHHAIUSA-N 2 0 297.443 1.015 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001498059742 973654351 /nfs/dbraw/zinc/65/43/51/973654351.db2.gz FJDSSHGRWKZYLH-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001499909537 974333188 /nfs/dbraw/zinc/33/31/88/974333188.db2.gz WSWRYDZGVZFRLZ-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001500357966 974427726 /nfs/dbraw/zinc/42/77/26/974427726.db2.gz JIKFZJHQYXLRQV-NVXWUHKLSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500549421 974448961 /nfs/dbraw/zinc/44/89/61/974448961.db2.gz ANQFGKNCVCPKFB-RDJZCZTQSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001506754184 975216068 /nfs/dbraw/zinc/21/60/68/975216068.db2.gz VNCUUMLPMNXLRK-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001507443945 975473039 /nfs/dbraw/zinc/47/30/39/975473039.db2.gz SIAVPZDFWSMLDA-CQSZACIVSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001507443904 975473091 /nfs/dbraw/zinc/47/30/91/975473091.db2.gz RNMLNMAVBDTDFG-HUUCEWRRSA-N 2 0 293.455 1.423 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001401866355 975959076 /nfs/dbraw/zinc/95/90/76/975959076.db2.gz JJJSIOMYJXZNNL-RISCZKNCSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001403466195 976967968 /nfs/dbraw/zinc/96/79/68/976967968.db2.gz XLKXNQUSJREVIZ-JOCQHMNTSA-N 2 0 287.835 1.564 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001674681173 1173987421 /nfs/dbraw/zinc/98/74/21/1173987421.db2.gz PLNIAJLDDNPXOH-QWHCGFSZSA-N 2 0 267.417 1.530 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001674734397 1174001079 /nfs/dbraw/zinc/00/10/79/1174001079.db2.gz IUWHDBXGAPZNBN-UONOGXRCSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001674831790 1174012875 /nfs/dbraw/zinc/01/28/75/1174012875.db2.gz BUPYWYMRWUPULC-HUUCEWRRSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001570115001 1170084159 /nfs/dbraw/zinc/08/41/59/1170084159.db2.gz CGXRJOXXLSXKOZ-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001570185537 1170105109 /nfs/dbraw/zinc/10/51/09/1170105109.db2.gz NGBGCAGQBIMSBY-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001570747239 1170266631 /nfs/dbraw/zinc/26/66/31/1170266631.db2.gz DLVHMTDUAMOYQD-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001570902751 1170316515 /nfs/dbraw/zinc/31/65/15/1170316515.db2.gz YEDCXVVDJSDPKO-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001571182170 1170344905 /nfs/dbraw/zinc/34/49/05/1170344905.db2.gz YJALQTBMNGTUDP-KLHDSHLOSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001571465570 1170441168 /nfs/dbraw/zinc/44/11/68/1170441168.db2.gz HFYSZIHGUGDCOM-HUUCEWRRSA-N 2 0 291.439 1.627 10 30 CDEERP C=CC[N@@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001571610043 1170495193 /nfs/dbraw/zinc/49/51/93/1170495193.db2.gz CRCUFGBXNSBFBC-CQSZACIVSA-N 2 0 267.417 1.435 10 30 CDEERP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)CC1(C#N)CC1 ZINC000599300073 343999083 /nfs/dbraw/zinc/99/90/83/343999083.db2.gz MGOSJEXGNRECJE-HUUCEWRRSA-N 2 0 279.428 1.847 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000592504165 342706314 /nfs/dbraw/zinc/70/63/14/342706314.db2.gz NSDOUKCFDNSTRZ-AWEZNQCLSA-N 2 0 280.416 1.030 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000594435510 342898828 /nfs/dbraw/zinc/89/88/28/342898828.db2.gz GNZCMQSCVPPUIC-STQMWFEESA-N 2 0 266.389 1.046 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000594449405 342909608 /nfs/dbraw/zinc/90/96/08/342909608.db2.gz IOOZNJAQRISZEG-STQMWFEESA-N 2 0 278.400 1.189 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000594450354 342909788 /nfs/dbraw/zinc/90/97/88/342909788.db2.gz ZEKUHZWDWFSUHV-CHWSQXEVSA-N 2 0 278.400 1.189 10 30 CDEERP N#CC1(C[C@H](O)C[NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000600734201 342246020 /nfs/dbraw/zinc/24/60/20/342246020.db2.gz FVOUSKPUTBVRJC-NRXISQOPSA-N 2 0 277.412 1.648 10 30 CDEERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000596577334 343353793 /nfs/dbraw/zinc/35/37/93/343353793.db2.gz CZPSFDLKELTMNX-ZDUSSCGKSA-N 2 0 282.432 1.634 10 30 CDEERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCCC#N)CC1 ZINC000071892879 355993977 /nfs/dbraw/zinc/99/39/77/355993977.db2.gz SWIBAIYFXLUOPS-INIZCTEOSA-N 2 0 278.444 1.782 10 30 CDEERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)c(OC)c2)C1 ZINC000233501364 356350915 /nfs/dbraw/zinc/35/09/15/356350915.db2.gz OPUVRVXHMBPPEE-AWEZNQCLSA-N 2 0 273.380 1.998 10 30 CDEERP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000594436314 358623987 /nfs/dbraw/zinc/62/39/87/358623987.db2.gz DBAWWIWMPYCKQS-KBPBESRZSA-N 2 0 278.400 1.093 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001661202319 1172352519 /nfs/dbraw/zinc/35/25/19/1172352519.db2.gz OUAFHLMCZSHOGX-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001662630727 1172571695 /nfs/dbraw/zinc/57/16/95/1172571695.db2.gz MZBSETGAFGVICN-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001663067644 1172634543 /nfs/dbraw/zinc/63/45/43/1172634543.db2.gz WXWDNYUBZNHZQI-OWCLPIDISA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000664019392 413024274 /nfs/dbraw/zinc/02/42/74/413024274.db2.gz JNNBAJCDGRFVHP-OAHLLOKOSA-N 2 0 294.443 1.372 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001663461939 1172698687 /nfs/dbraw/zinc/69/86/87/1172698687.db2.gz TZMLDDOFSURCIF-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP CCC[NH+]1CCC([N@H+](C)CCOCCC#N)CC1 ZINC000339012392 391241949 /nfs/dbraw/zinc/24/19/49/391241949.db2.gz ZBRQQJPTYWFXFG-UHFFFAOYSA-N 2 0 253.390 1.723 10 30 CDEERP C=CCC[C@H](O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104681 392012022 /nfs/dbraw/zinc/01/20/22/392012022.db2.gz LVLYZIUAVOISQD-AWEZNQCLSA-N 2 0 268.401 1.110 10 30 CDEERP C=CC[C@]1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662720210 413378988 /nfs/dbraw/zinc/37/89/88/413378988.db2.gz WBZVCGJHEPEVBI-GDBMZVCRSA-N 2 0 277.412 1.380 10 30 CDEERP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295144 414620504 /nfs/dbraw/zinc/62/05/04/414620504.db2.gz FNZCCYVERMHKRT-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C[N@@H+]1CCCN(Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683573 175091749 /nfs/dbraw/zinc/09/17/49/175091749.db2.gz VIDLQNFORJPIHX-UHFFFAOYSA-N 2 0 263.410 1.196 10 30 CDEERP C[NH+](C)C1CCN(Cc2sccc2C#CC[NH3+])CC1 ZINC000043683698 175091938 /nfs/dbraw/zinc/09/19/38/175091938.db2.gz XIGJKMVTFDVWPV-UHFFFAOYSA-N 2 0 277.437 1.584 10 30 CDEERP COC[C@@H](C)[N@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683832 175092471 /nfs/dbraw/zinc/09/24/71/175092471.db2.gz TZVREHYKAUWOQS-LLVKDONJSA-N 2 0 252.383 1.525 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000662402484 424041645 /nfs/dbraw/zinc/04/16/45/424041645.db2.gz ABPTYNUVUUHMGB-GZBFAFLISA-N 2 0 265.401 1.189 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001667199376 1173244491 /nfs/dbraw/zinc/24/44/91/1173244491.db2.gz ZECGTDXZDAUDOG-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001667488227 1173275212 /nfs/dbraw/zinc/27/52/12/1173275212.db2.gz BMCYVZDMHHSDAT-CQSZACIVSA-N 2 0 279.428 1.082 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001667751636 1173320364 /nfs/dbraw/zinc/32/03/64/1173320364.db2.gz LXCWUWRUKIGRQL-LSDHHAIUSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001668279745 1173391938 /nfs/dbraw/zinc/39/19/38/1173391938.db2.gz XDRLZRLLPRCVPP-CHWSQXEVSA-N 2 0 255.406 1.387 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001669564398 1173569909 /nfs/dbraw/zinc/56/99/09/1173569909.db2.gz MSOQQHGCDMDATP-SOUVJXGZSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001671804352 1173713863 /nfs/dbraw/zinc/71/38/63/1173713863.db2.gz AHQGUUPMVIJSID-RDJZCZTQSA-N 2 0 293.455 1.424 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001673918604 1173898628 /nfs/dbraw/zinc/89/86/28/1173898628.db2.gz ZRTVNSKMPCVAQO-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C[N@@H+]1CCC[C@H]2C[NH+](CCOCCC#N)CC[C@H]21 ZINC000339020154 327008092 /nfs/dbraw/zinc/00/80/92/327008092.db2.gz DEXQYVKTUBALAK-UONOGXRCSA-N 2 0 251.374 1.333 10 30 CDEERP CCC[NH+]1CCC(C[NH+]=C(N(C)C)N(C)C)CC1 ZINC000261967489 329991956 /nfs/dbraw/zinc/99/19/56/329991956.db2.gz BREOJAWRNBHKOA-UHFFFAOYSA-N 2 0 254.422 1.588 10 30 CDEERP CC(C)C[N@@H+]1CCCC[C@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262474157 330015798 /nfs/dbraw/zinc/01/57/98/330015798.db2.gz BQFYQZINWIGTDY-STQMWFEESA-N 2 0 252.406 1.434 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1C[C@H]1C ZINC000262688708 330027475 /nfs/dbraw/zinc/02/74/75/330027475.db2.gz BQRWSLLJGYKALJ-MBNYWOFBSA-N 2 0 264.417 1.434 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C)CCC1 ZINC000262722083 330028733 /nfs/dbraw/zinc/02/87/33/330028733.db2.gz WHNZZVVBUULKOF-LBPRGKRZSA-N 2 0 252.406 1.565 10 30 CDEERP CC[NH+]=C(NC1CCC1)N1CC[C@H]([NH+](CC)CC)C1 ZINC000262798873 330032198 /nfs/dbraw/zinc/03/21/98/330032198.db2.gz QMCRJXCEZMYOCX-AWEZNQCLSA-N 2 0 266.433 1.921 10 30 CDEERP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000491636530 332257336 /nfs/dbraw/zinc/25/73/36/332257336.db2.gz SXFCBGOCZVGFEV-HNNXBMFYSA-N 2 0 296.459 1.217 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268069699 1159774495 /nfs/dbraw/zinc/77/44/95/1159774495.db2.gz ZQNPIMPLDBXRAD-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001483016376 1160665884 /nfs/dbraw/zinc/66/58/84/1160665884.db2.gz COOXAOKSHLWNRV-OGZRUICASA-N 2 0 289.423 1.289 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001713635948 1178690802 /nfs/dbraw/zinc/69/08/02/1178690802.db2.gz SCGUDZRDINMOTI-OAHLLOKOSA-N 2 0 285.407 1.433 10 30 CDEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001714812132 1179407276 /nfs/dbraw/zinc/40/72/76/1179407276.db2.gz KVGCVWFPPDJONR-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001717738597 1180819016 /nfs/dbraw/zinc/81/90/16/1180819016.db2.gz PWWURHNXKXNVFH-ILXRZTDVSA-N 2 0 281.444 1.729 10 30 CDEERP COc1ccc(C#CC[NH3+])cc1CN1CCC[N@H+](C)CC1 ZINC000049608758 523513559 /nfs/dbraw/zinc/51/35/59/523513559.db2.gz UWYLRMCNULRVRI-UHFFFAOYSA-N 2 0 287.407 1.143 10 30 CDEERP C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccccc1C#CC[NH3+] ZINC000049189216 524592217 /nfs/dbraw/zinc/59/22/17/524592217.db2.gz AMWIINPGZZEJKP-AWEZNQCLSA-N 2 0 285.391 1.211 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000900399244 622999384 /nfs/dbraw/zinc/99/93/84/622999384.db2.gz CLWXAFUKKBRPFP-UHFFFAOYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000901104592 623887482 /nfs/dbraw/zinc/88/74/82/623887482.db2.gz NCLBMEFKAWIARU-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[C@@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903934051 626153429 /nfs/dbraw/zinc/15/34/29/626153429.db2.gz ZMTXWNFEMMEYKY-HUUCEWRRSA-N 2 0 289.427 1.991 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[N@@H+](CC)CCC ZINC000908302073 628132487 /nfs/dbraw/zinc/13/24/87/628132487.db2.gz JJSSXOHXKZJWNA-CQSZACIVSA-N 2 0 269.433 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000911919422 629628205 /nfs/dbraw/zinc/62/82/05/629628205.db2.gz BVBOADBAVNWKIC-UHFFFAOYSA-N 2 0 267.417 1.439 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC[C@]1(C)CCCO1 ZINC000154523583 632281900 /nfs/dbraw/zinc/28/19/00/632281900.db2.gz PCJZFSVRBPRJQJ-ZFWWWQNUSA-N 2 0 282.432 1.205 10 30 CDEERP C[C@H](C[NH2+]Cc1csc(C#N)c1)N1CC[NH+](C)CC1 ZINC000921689075 633180505 /nfs/dbraw/zinc/18/05/05/633180505.db2.gz CARBYTKXOIVLPB-GFCCVEGCSA-N 2 0 278.425 1.345 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691180453 1158947592 /nfs/dbraw/zinc/94/75/92/1158947592.db2.gz CONPBCINYCRWSC-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001691370551 1159041648 /nfs/dbraw/zinc/04/16/48/1159041648.db2.gz WAKAUZWIRODGDZ-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001266626588 1158704670 /nfs/dbraw/zinc/70/46/70/1158704670.db2.gz PHDYPFMVRUUQJM-QAQDUYKDSA-N 2 0 299.418 1.622 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001691178860 1158947668 /nfs/dbraw/zinc/94/76/68/1158947668.db2.gz YNRJFKXALYYBFH-SHTZXODSSA-N 2 0 291.439 1.533 10 30 CDEERP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001496487027 1159925890 /nfs/dbraw/zinc/92/58/90/1159925890.db2.gz KHNHCMZHVPKJEH-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001272085186 1160596121 /nfs/dbraw/zinc/59/61/21/1160596121.db2.gz IXJLJRSVCBVSNE-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001645360510 1167396300 /nfs/dbraw/zinc/39/63/00/1167396300.db2.gz YBHAZNYJFWIFLI-UONOGXRCSA-N 2 0 265.401 1.189 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001565914445 1168201677 /nfs/dbraw/zinc/20/16/77/1168201677.db2.gz HZVXLLOFPSXJDP-RRFJBIMHSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001566909904 1168462448 /nfs/dbraw/zinc/46/24/48/1168462448.db2.gz HWTRLTJPYRNRKV-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567192510 1168614484 /nfs/dbraw/zinc/61/44/84/1168614484.db2.gz BGHPVCGJVKDQDK-OAHLLOKOSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001567744234 1168944753 /nfs/dbraw/zinc/94/47/53/1168944753.db2.gz FMNBMPKNMFWRSY-OAHLLOKOSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001568940283 1169554758 /nfs/dbraw/zinc/55/47/58/1169554758.db2.gz UCEKVKYAQIFATC-WAYWQWQTSA-N 2 0 279.428 1.556 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH]cn1 ZINC001570675245 1170228029 /nfs/dbraw/zinc/22/80/29/1170228029.db2.gz DLORXGYFQUXXOC-UHFFFAOYSA-N 2 0 276.384 1.050 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571388594 1170405700 /nfs/dbraw/zinc/40/57/00/1170405700.db2.gz SYPYGQBFCZZRLL-MGPQQGTHSA-N 2 0 267.417 1.339 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001571486359 1170451025 /nfs/dbraw/zinc/45/10/25/1170451025.db2.gz CWJQBNFILUAHDI-KGLIPLIRSA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001656106061 1171770679 /nfs/dbraw/zinc/77/06/79/1171770679.db2.gz RFGRQPFSHMKHED-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001661496010 1172398649 /nfs/dbraw/zinc/39/86/49/1172398649.db2.gz LDUVLLOOUHODKU-MGPQQGTHSA-N 2 0 267.417 1.530 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001661618917 1172417695 /nfs/dbraw/zinc/41/76/95/1172417695.db2.gz ZVWJHIDQDHQVJO-GASCZTMLSA-N 2 0 291.439 1.818 10 30 CDEERP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001663119531 1172637793 /nfs/dbraw/zinc/63/77/93/1172637793.db2.gz KECFVGNNPHJUQV-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001583315562 1172752920 /nfs/dbraw/zinc/75/29/20/1172752920.db2.gz KNLPOQAQZWKESG-GXTWGEPZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001663968016 1172795838 /nfs/dbraw/zinc/79/58/38/1172795838.db2.gz NBJJISCMPOLBTN-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001673491243 1173864049 /nfs/dbraw/zinc/86/40/49/1173864049.db2.gz HDBJZRAFWWAQBG-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001674687639 1173988652 /nfs/dbraw/zinc/98/86/52/1173988652.db2.gz SZIXYROLUPYLTG-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001677253712 1174342185 /nfs/dbraw/zinc/34/21/85/1174342185.db2.gz ZSBZGNFLYCIZRD-GJZGRUSLSA-N 2 0 291.439 1.082 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001690433400 1175470526 /nfs/dbraw/zinc/47/05/26/1175470526.db2.gz FBNNAZVKANMCGC-OAHLLOKOSA-N 2 0 279.428 1.487 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001690708298 1175553443 /nfs/dbraw/zinc/55/34/43/1175553443.db2.gz NSQKBLDRDJDWBX-BZUAXINKSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001690737887 1175559401 /nfs/dbraw/zinc/55/94/01/1175559401.db2.gz AFQHHUULNFGNSC-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001690824795 1175580866 /nfs/dbraw/zinc/58/08/66/1175580866.db2.gz LOBVBJQAKVMAPF-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691861136 1175638183 /nfs/dbraw/zinc/63/81/83/1175638183.db2.gz QYVDEKYENKVQSS-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001698855574 1175965082 /nfs/dbraw/zinc/96/50/82/1175965082.db2.gz HDDIAHSYZHJNRB-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001698883006 1175976059 /nfs/dbraw/zinc/97/60/59/1175976059.db2.gz NZAREBOBDVYPPM-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001698879735 1175976302 /nfs/dbraw/zinc/97/63/02/1175976302.db2.gz QKAZOOFOHWAMDR-LSDHHAIUSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001698983775 1176007811 /nfs/dbraw/zinc/00/78/11/1176007811.db2.gz NTCTZGNUIUSLCU-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001699018559 1176044046 /nfs/dbraw/zinc/04/40/46/1176044046.db2.gz KLBPKADUXULZKX-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699141194 1176110512 /nfs/dbraw/zinc/11/05/12/1176110512.db2.gz SFDYBLNTFXXAOZ-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699263476 1176186097 /nfs/dbraw/zinc/18/60/97/1176186097.db2.gz WWYFMLRULIFNKH-HSWBROFVSA-N 2 0 297.830 1.343 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCC=C)CC2)CC1 ZINC001699676863 1176566685 /nfs/dbraw/zinc/56/66/85/1176566685.db2.gz XDRNXTYPGCRKOF-UHFFFAOYSA-N 2 0 289.423 1.146 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001699734445 1176596409 /nfs/dbraw/zinc/59/64/09/1176596409.db2.gz NKYXZUYPNZSIOS-HUUCEWRRSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001699859850 1176658937 /nfs/dbraw/zinc/65/89/37/1176658937.db2.gz UVEZNHOYPPZETG-INIZCTEOSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCC1 ZINC001700137422 1176766707 /nfs/dbraw/zinc/76/67/07/1176766707.db2.gz ZAAUBTKZRYOCOL-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001700317822 1176845730 /nfs/dbraw/zinc/84/57/30/1176845730.db2.gz MLJIJHXFZUWIIM-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001700366088 1176874714 /nfs/dbraw/zinc/87/47/14/1176874714.db2.gz ZURQPUHPVXUTAH-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001700463310 1176951599 /nfs/dbraw/zinc/95/15/99/1176951599.db2.gz FVRWGDPFLGQSJA-KBPBESRZSA-N 2 0 267.417 1.032 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001700488462 1176977501 /nfs/dbraw/zinc/97/75/01/1176977501.db2.gz ZBFLQVUFIHEIEC-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]2C1 ZINC001700618363 1177038847 /nfs/dbraw/zinc/03/88/47/1177038847.db2.gz YEMQPSVWLVHWRR-XHSDSOJGSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[N@@H+](C)CCN(C(=O)C[NH+](C)C(C)C)C(C)C ZINC001700980387 1177222830 /nfs/dbraw/zinc/22/28/30/1177222830.db2.gz LCWUJDKIRCQIFP-UHFFFAOYSA-N 2 0 269.433 1.681 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001701025614 1177246215 /nfs/dbraw/zinc/24/62/15/1177246215.db2.gz XMILNGUJEXRMAK-UHFFFAOYSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001707055347 1177929497 /nfs/dbraw/zinc/92/94/97/1177929497.db2.gz ZNQFQLQHONMERM-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001713208496 1178432551 /nfs/dbraw/zinc/43/25/51/1178432551.db2.gz NWKIFECECKEYLQ-GASCZTMLSA-N 2 0 279.428 1.675 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713215888 1178438743 /nfs/dbraw/zinc/43/87/43/1178438743.db2.gz ULXZMYGVIMHXNI-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001713279755 1178463252 /nfs/dbraw/zinc/46/32/52/1178463252.db2.gz TYYQPFYELKPQJG-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001713278135 1178464094 /nfs/dbraw/zinc/46/40/94/1178464094.db2.gz REWWEEUSDYRXQD-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001713541858 1178634935 /nfs/dbraw/zinc/63/49/35/1178634935.db2.gz OCMRPLOHSCPGDS-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001714050941 1178947316 /nfs/dbraw/zinc/94/73/16/1178947316.db2.gz XFHAZMYPWCQRMQ-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001714155944 1178993946 /nfs/dbraw/zinc/99/39/46/1178993946.db2.gz LLVKPSCCZIRDNM-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C[C@@](C)(NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001714172415 1179002449 /nfs/dbraw/zinc/00/24/49/1179002449.db2.gz VNJHLWAXXXHKAE-QGZVFWFLSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001714817407 1179410022 /nfs/dbraw/zinc/41/00/22/1179410022.db2.gz VJWOBUDYCGUZBK-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001715311206 1179618185 /nfs/dbraw/zinc/61/81/85/1179618185.db2.gz SFXVHTSZFYYBOG-UHFFFAOYSA-N 2 0 265.401 1.287 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001715314159 1179619353 /nfs/dbraw/zinc/61/93/53/1179619353.db2.gz KQYSEFLBFMHIBX-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001715386134 1179652772 /nfs/dbraw/zinc/65/27/72/1179652772.db2.gz MEDKJEZYOVRJPC-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001715416158 1179662726 /nfs/dbraw/zinc/66/27/26/1179662726.db2.gz HCBYVFVMIULYNX-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001715469618 1179675530 /nfs/dbraw/zinc/67/55/30/1179675530.db2.gz FXEMKSYPOLAXQT-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001715729142 1179782586 /nfs/dbraw/zinc/78/25/86/1179782586.db2.gz MTLSBZZPYJWNOQ-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716354494 1180165412 /nfs/dbraw/zinc/16/54/12/1180165412.db2.gz FNKXGEHJHJZOQC-SREVYHEPSA-N 2 0 299.418 1.647 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001716632001 1180315983 /nfs/dbraw/zinc/31/59/83/1180315983.db2.gz SIYRBTSGSGYMOE-CABCVRRESA-N 2 0 279.428 1.531 10 30 CDEERP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001716765930 1180406034 /nfs/dbraw/zinc/40/60/34/1180406034.db2.gz ZOEJZAHABVDUHN-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001716769713 1180406806 /nfs/dbraw/zinc/40/68/06/1180406806.db2.gz FEHCHHSNZASNIH-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001717443129 1180674916 /nfs/dbraw/zinc/67/49/16/1180674916.db2.gz TXKGKIDHDWHCER-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001717673169 1180787390 /nfs/dbraw/zinc/78/73/90/1180787390.db2.gz RTROVAZPMPBWKU-UONOGXRCSA-N 2 0 267.417 1.224 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001717732719 1180816097 /nfs/dbraw/zinc/81/60/97/1180816097.db2.gz RMYXHTVDQDQOMA-INIZCTEOSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001718033209 1180976378 /nfs/dbraw/zinc/97/63/78/1180976378.db2.gz BZMVTZLMKBVNLD-GJZGRUSLSA-N 2 0 289.423 1.241 10 30 CDEERP C=CCC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001723482483 1181574173 /nfs/dbraw/zinc/57/41/73/1181574173.db2.gz CAEQBOZYQIUFCL-ZDUSSCGKSA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001723722364 1181596289 /nfs/dbraw/zinc/59/62/89/1181596289.db2.gz VFSZDUBEXMTQRI-QGZVFWFLSA-N 2 0 291.439 1.276 10 30 CDEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCC)CC1 ZINC001724064751 1181632490 /nfs/dbraw/zinc/63/24/90/1181632490.db2.gz IPJVEYWSBITAHG-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001724855828 1181779323 /nfs/dbraw/zinc/77/93/23/1181779323.db2.gz NXYDUDOTPRUPQS-UHFFFAOYSA-N 2 0 267.417 1.295 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001724962302 1181809174 /nfs/dbraw/zinc/80/91/74/1181809174.db2.gz VEVDBWMTMKJOFZ-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001725039578 1181831226 /nfs/dbraw/zinc/83/12/26/1181831226.db2.gz DFTBXTWEEVTCJP-HRCADAONSA-N 2 0 293.455 1.826 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001725782641 1182130472 /nfs/dbraw/zinc/13/04/72/1182130472.db2.gz LBPFYYVZTIIZQM-UHFFFAOYSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001731321465 1182317561 /nfs/dbraw/zinc/31/75/61/1182317561.db2.gz FQYBBYSCMFJFQS-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001731561094 1182448025 /nfs/dbraw/zinc/44/80/25/1182448025.db2.gz YRXWGYLYKBKHHU-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001731574424 1182454623 /nfs/dbraw/zinc/45/46/23/1182454623.db2.gz VQTWJQVAKBBDOU-UHFFFAOYSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001731693846 1182521024 /nfs/dbraw/zinc/52/10/24/1182521024.db2.gz GGAPJHSORGCFQO-CVEARBPZSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001732134588 1182793991 /nfs/dbraw/zinc/79/39/91/1182793991.db2.gz PCQYWACDFHQTOV-CQSZACIVSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001732169680 1182829361 /nfs/dbraw/zinc/82/93/61/1182829361.db2.gz IDQHHNVSIGNITL-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001732630291 1183057131 /nfs/dbraw/zinc/05/71/31/1183057131.db2.gz ZJXSZYXBSHMUGT-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001733130501 1183301849 /nfs/dbraw/zinc/30/18/49/1183301849.db2.gz FEKYNDSOEDPYRC-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]CCCC)CC1 ZINC001733147058 1183306611 /nfs/dbraw/zinc/30/66/11/1183306611.db2.gz YHXTWCHKSZKNGA-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001733244935 1183367486 /nfs/dbraw/zinc/36/74/86/1183367486.db2.gz CXUSEOIIZGJNEF-RBSFLKMASA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001733324225 1183397448 /nfs/dbraw/zinc/39/74/48/1183397448.db2.gz CRHUPPFLUSVPRB-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001733524814 1183456572 /nfs/dbraw/zinc/45/65/72/1183456572.db2.gz AATGGTSGRGTGIQ-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001733549377 1183463441 /nfs/dbraw/zinc/46/34/41/1183463441.db2.gz JNROYHCARHEORX-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001733934466 1183573195 /nfs/dbraw/zinc/57/31/95/1183573195.db2.gz YNGJPEVLRPIAPV-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001734022573 1183616937 /nfs/dbraw/zinc/61/69/37/1183616937.db2.gz QXLSHXYVAYNCMQ-UHFFFAOYSA-N 2 0 281.444 1.588 10 30 CDEERP C=CCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001734462827 1183787546 /nfs/dbraw/zinc/78/75/46/1183787546.db2.gz UYEUEJPTWSOXGO-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001734597497 1183840039 /nfs/dbraw/zinc/84/00/39/1183840039.db2.gz RBPVUWNBPXLLLD-UHFFFAOYSA-N 2 0 293.455 1.567 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)OC(C)(C)C ZINC000178569693 833083548 /nfs/dbraw/zinc/08/35/48/833083548.db2.gz YCGVBGZGBWYFLL-LBPRGKRZSA-N 2 0 298.431 1.107 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000876763458 829061856 /nfs/dbraw/zinc/06/18/56/829061856.db2.gz OGRWMEQTYRUNHA-QWHCGFSZSA-N 2 0 287.835 1.550 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCC[NH2+]1 ZINC000852893383 829814520 /nfs/dbraw/zinc/81/45/20/829814520.db2.gz UXDRISHVTOTRDG-GJZGRUSLSA-N 2 0 263.385 1.039 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000876768110 830777055 /nfs/dbraw/zinc/77/70/55/830777055.db2.gz DMJQRLUJBKLDET-KGLIPLIRSA-N 2 0 299.846 1.933 10 30 CDEERP C=C(C)CN1CCC([NH2+][C@@H]2CCOC23CCOCC3)CC1 ZINC000924989990 833874538 /nfs/dbraw/zinc/87/45/38/833874538.db2.gz WRDJCGAWFHOPTB-MRXNPFEDSA-N 2 0 294.439 1.955 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000876781062 833883331 /nfs/dbraw/zinc/88/33/31/833883331.db2.gz ITDUYFBMHPEBOP-SCVCMEIPSA-N 2 0 271.792 1.198 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000877121599 834203874 /nfs/dbraw/zinc/20/38/74/834203874.db2.gz WVOWTVKEEOEOHH-LLVKDONJSA-N 2 0 295.770 1.341 10 30 CDEERP C#CC[N@@H+](C)CCCNc1cc(CC(=O)OC)ccn1 ZINC000853647307 834630139 /nfs/dbraw/zinc/63/01/39/834630139.db2.gz XHQLMHDRGKZSHX-UHFFFAOYSA-N 2 0 275.352 1.164 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000876779577 834658287 /nfs/dbraw/zinc/65/82/87/834658287.db2.gz JOIXMAODSROXBW-ZDUSSCGKSA-N 2 0 294.786 1.200 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000876869095 834741461 /nfs/dbraw/zinc/74/14/61/834741461.db2.gz PYMOTIJOOYYHID-XQQFMLRXSA-N 2 0 285.819 1.304 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001567433144 1168758077 /nfs/dbraw/zinc/75/80/77/1168758077.db2.gz UKHSQLFNCKQKFY-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001266324933 894390104 /nfs/dbraw/zinc/39/01/04/894390104.db2.gz GNDCNRMONIPONH-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266399121 894699686 /nfs/dbraw/zinc/69/96/86/894699686.db2.gz LMMVUCYBCSVEFY-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001266399254 894701794 /nfs/dbraw/zinc/70/17/94/894701794.db2.gz PSHKRKCSOYWPFH-CQSZACIVSA-N 2 0 290.411 1.460 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266473215 895015124 /nfs/dbraw/zinc/01/51/24/895015124.db2.gz XMPWTJYBRDAPHZ-INIZCTEOSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001266949943 896416704 /nfs/dbraw/zinc/41/67/04/896416704.db2.gz SSMFQYHKWBJTCM-GFCCVEGCSA-N 2 0 286.379 1.927 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267058387 896652629 /nfs/dbraw/zinc/65/26/29/896652629.db2.gz KSCNVXCOFPKYKK-OAHLLOKOSA-N 2 0 293.455 1.426 10 30 CDEERP C=CC[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001267268957 897419298 /nfs/dbraw/zinc/41/92/98/897419298.db2.gz IUFURPQFPMODEP-ZDUSSCGKSA-N 2 0 265.401 1.237 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001272625138 914210057 /nfs/dbraw/zinc/21/00/57/914210057.db2.gz SDMRSMJFWSVUBF-JKSUJKDBSA-N 2 0 293.455 1.424 10 30 CDEERP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267568297 898392174 /nfs/dbraw/zinc/39/21/74/898392174.db2.gz IJCOOBCAOILQRI-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[C@@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001267714132 899352799 /nfs/dbraw/zinc/35/27/99/899352799.db2.gz XESJFKCGIUWTBW-PMPSAXMXSA-N 2 0 293.455 1.968 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001267986622 900199912 /nfs/dbraw/zinc/19/99/12/900199912.db2.gz NPLPKJPLFTXIQN-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267989055 900204819 /nfs/dbraw/zinc/20/48/19/900204819.db2.gz FAZVQUUSPPSUSV-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001481319940 900379473 /nfs/dbraw/zinc/37/94/73/900379473.db2.gz QXKFOMFQKHOGPR-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCC1 ZINC001268039858 900716889 /nfs/dbraw/zinc/71/68/89/900716889.db2.gz ZIEJDNMMKMFDFN-UHFFFAOYSA-N 2 0 291.439 1.513 10 30 CDEERP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268109610 901310610 /nfs/dbraw/zinc/31/06/10/901310610.db2.gz LJMMAGZSSXYKHP-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481632313 901529039 /nfs/dbraw/zinc/52/90/39/901529039.db2.gz BKOGTNSMNCQATO-AWEZNQCLSA-N 2 0 267.417 1.197 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001268226542 901602097 /nfs/dbraw/zinc/60/20/97/901602097.db2.gz BGHCGNMEVXIPOJ-CQSZACIVSA-N 2 0 267.417 1.080 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001481644209 901604091 /nfs/dbraw/zinc/60/40/91/901604091.db2.gz BNGGWBDVVLTOEI-MRXNPFEDSA-N 2 0 297.418 1.433 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001268254894 901679563 /nfs/dbraw/zinc/67/95/63/901679563.db2.gz GMEHUDHSRUGGGD-LSDHHAIUSA-N 2 0 281.444 1.683 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001481738882 901983657 /nfs/dbraw/zinc/98/36/57/901983657.db2.gz QMLAXELIEXTXHP-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268411240 902020419 /nfs/dbraw/zinc/02/04/19/902020419.db2.gz LHZGYLJQUXPGFL-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001482062168 902575489 /nfs/dbraw/zinc/57/54/89/902575489.db2.gz FRSWZHPYAHSEQX-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001482108787 902654994 /nfs/dbraw/zinc/65/49/94/902654994.db2.gz WXQCOFVMUFGSCB-GOEBONIOSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001269572464 903941444 /nfs/dbraw/zinc/94/14/44/903941444.db2.gz UUSXSPSLSGXTTN-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001270829847 905111727 /nfs/dbraw/zinc/11/17/27/905111727.db2.gz NKRPSMKEVMHSAT-NVXWUHKLSA-N 2 0 295.471 1.977 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001273566536 921133561 /nfs/dbraw/zinc/13/35/61/921133561.db2.gz VZSSWGLKISHIRH-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C1CCCCC1 ZINC001271346659 906260901 /nfs/dbraw/zinc/26/09/01/906260901.db2.gz GEZRVBOCNAXNQK-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001271600930 906537417 /nfs/dbraw/zinc/53/74/17/906537417.db2.gz VHZSURILQIILIZ-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)C ZINC001271846422 906890886 /nfs/dbraw/zinc/89/08/86/906890886.db2.gz PXTCJRVFJDKAHJ-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCCC[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482602848 907855474 /nfs/dbraw/zinc/85/54/74/907855474.db2.gz JAPCRSNCRZNHIS-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001483952489 915233742 /nfs/dbraw/zinc/23/37/42/915233742.db2.gz XHGOXSJOAGVMMH-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484123406 915446515 /nfs/dbraw/zinc/44/65/15/915446515.db2.gz ARPROEPAIORMTH-MRXNPFEDSA-N 2 0 279.428 1.487 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001484910207 916263495 /nfs/dbraw/zinc/26/34/95/916263495.db2.gz STILGHJSGSAFNE-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001484978231 916357467 /nfs/dbraw/zinc/35/74/67/916357467.db2.gz AJBICSDPGACISM-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001485075200 916470763 /nfs/dbraw/zinc/47/07/63/916470763.db2.gz BEGMZXQQIPMKBT-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001486234454 920851811 /nfs/dbraw/zinc/85/18/11/920851811.db2.gz VCKKHZKEYNJZJC-KFWWJZLASA-N 2 0 291.439 1.177 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001649446514 1169258116 /nfs/dbraw/zinc/25/81/16/1169258116.db2.gz ZGVLBJYGDRWTMU-UHFFFAOYSA-N 2 0 265.401 1.287 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001273183460 923891360 /nfs/dbraw/zinc/89/13/60/923891360.db2.gz LCHAGVHHBGXEDG-ZDUSSCGKSA-N 2 0 253.390 1.143 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001495669545 936919247 /nfs/dbraw/zinc/91/92/47/936919247.db2.gz RRTXXSZTHXGGOA-RBSFLKMASA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCO1 ZINC001273316790 925849363 /nfs/dbraw/zinc/84/93/63/925849363.db2.gz WWLAHAYRFOTEQL-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CCc2nccn2C)[C@H]1CC ZINC001489126391 926801387 /nfs/dbraw/zinc/80/13/87/926801387.db2.gz GWAGNWRWBPUKDQ-UONOGXRCSA-N 2 0 290.411 1.508 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001568459523 1169298652 /nfs/dbraw/zinc/29/86/52/1169298652.db2.gz RHKBXMCGHWLCNU-AWEZNQCLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001274104253 931171263 /nfs/dbraw/zinc/17/12/63/931171263.db2.gz AVZXKTJKSGEOCM-NFAHFFEMSA-N 2 0 277.412 1.146 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001274798871 931578785 /nfs/dbraw/zinc/57/87/85/931578785.db2.gz XUHHKNCVONGSKU-JKSUJKDBSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001494856231 932140744 /nfs/dbraw/zinc/14/07/44/932140744.db2.gz RTCASAOPSRDABI-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276625386 940451732 /nfs/dbraw/zinc/45/17/32/940451732.db2.gz WXDJEMIORWYWAU-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001329622710 940701766 /nfs/dbraw/zinc/70/17/66/940701766.db2.gz FJTAGYGTAXOIPZ-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001277058921 941888612 /nfs/dbraw/zinc/88/86/12/941888612.db2.gz QHYBEIBBLNMGQQ-KLHDSHLOSA-N 2 0 291.439 1.674 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001280094108 942416868 /nfs/dbraw/zinc/41/68/68/942416868.db2.gz HQSZXAUFMMETER-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001282648430 942735722 /nfs/dbraw/zinc/73/57/22/942735722.db2.gz WCDWXFNOULDHNX-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001277474766 942744082 /nfs/dbraw/zinc/74/40/82/942744082.db2.gz TYQADTLNVMMNMU-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001283552139 942930730 /nfs/dbraw/zinc/93/07/30/942930730.db2.gz BPHFDTPWZGHGBD-KBPBESRZSA-N 2 0 267.417 1.339 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001284097431 943077259 /nfs/dbraw/zinc/07/72/59/943077259.db2.gz RBPWSOGENXBZLE-HRCADAONSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001277852178 943820905 /nfs/dbraw/zinc/82/09/05/943820905.db2.gz UJFXXUJCBKJTJB-CABCVRRESA-N 2 0 277.412 1.095 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001277865090 943892234 /nfs/dbraw/zinc/89/22/34/943892234.db2.gz CWCNAYPFYQNSLS-AWEZNQCLSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001264186370 944095226 /nfs/dbraw/zinc/09/52/26/944095226.db2.gz ZHVVWJMPDOWPGX-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001265092795 944227621 /nfs/dbraw/zinc/22/76/21/944227621.db2.gz VCLIPHZPTAHJHO-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001265155979 944253305 /nfs/dbraw/zinc/25/33/05/944253305.db2.gz JRCRYMMURBYEFM-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001265359168 944358804 /nfs/dbraw/zinc/35/88/04/944358804.db2.gz YSFBZQDVFFYVCH-CABCVRRESA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265442968 944389524 /nfs/dbraw/zinc/38/95/24/944389524.db2.gz LHOMLRDEEMGAIV-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001266011437 944627998 /nfs/dbraw/zinc/62/79/98/944627998.db2.gz WDVBHJLUHIURJL-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266051205 944655176 /nfs/dbraw/zinc/65/51/76/944655176.db2.gz NFBTYXCVHJKHHT-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001266067287 944661128 /nfs/dbraw/zinc/66/11/28/944661128.db2.gz KPMJCYDKTCDSHX-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001479707975 971378247 /nfs/dbraw/zinc/37/82/47/971378247.db2.gz SDWYBBCFKRXUSQ-MCIONIFRSA-N 2 0 285.407 1.431 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001278398615 947559472 /nfs/dbraw/zinc/55/94/72/947559472.db2.gz OCQWJPLNUXHBAV-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001479803995 971429541 /nfs/dbraw/zinc/42/95/41/971429541.db2.gz MWAVBDKGRGMAAJ-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001480088484 971568819 /nfs/dbraw/zinc/56/88/19/971568819.db2.gz IXDQZGHWUFMQDZ-LSDHHAIUSA-N 2 0 281.444 1.683 10 30 CDEERP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001480085342 971570332 /nfs/dbraw/zinc/57/03/32/971570332.db2.gz NUTKNFIJNBBOEN-MRXNPFEDSA-N 2 0 293.455 1.522 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001480227135 971637857 /nfs/dbraw/zinc/63/78/57/971637857.db2.gz ACRYELJGPKIXGM-UPJWGTAASA-N 2 0 276.384 1.401 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480386666 971696677 /nfs/dbraw/zinc/69/66/77/971696677.db2.gz LEFMRIGUWDWRGP-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001278671975 951452960 /nfs/dbraw/zinc/45/29/60/951452960.db2.gz DYTIKXTYDRXFNK-KRWDZBQOSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]C(C)C)CC1 ZINC001480814110 971891146 /nfs/dbraw/zinc/89/11/46/971891146.db2.gz TZBRTAKTGWQAMP-CQSZACIVSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480817134 971891841 /nfs/dbraw/zinc/89/18/41/971891841.db2.gz AWPASOJWIANODR-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001324832853 953598562 /nfs/dbraw/zinc/59/85/62/953598562.db2.gz JZGQGHVSKFFENN-INIZCTEOSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001327494073 954904455 /nfs/dbraw/zinc/90/44/55/954904455.db2.gz WHHBLMIWFHUJIR-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001327942612 955124006 /nfs/dbraw/zinc/12/40/06/955124006.db2.gz VYMXPGIZZYMNPJ-GJZGRUSLSA-N 2 0 291.439 1.485 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)CCn2ccnc2)CC1 ZINC001328007212 955157556 /nfs/dbraw/zinc/15/75/56/955157556.db2.gz PXYWLMGOWFZGLM-UHFFFAOYSA-N 2 0 276.384 1.430 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001328101847 955191302 /nfs/dbraw/zinc/19/13/02/955191302.db2.gz IETXIMSAVPMVQQ-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001491685037 955356600 /nfs/dbraw/zinc/35/66/00/955356600.db2.gz XAZHFYBBPRPWCJ-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001491814308 955480272 /nfs/dbraw/zinc/48/02/72/955480272.db2.gz KHFSDIBBDMISBJ-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)CC[C@@H]1CCC[NH+]1C)C(C)C ZINC001493860942 972128990 /nfs/dbraw/zinc/12/89/90/972128990.db2.gz XSJVHIVHIFGBOB-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001330643580 956537920 /nfs/dbraw/zinc/53/79/20/956537920.db2.gz ILAHMOLJCZAYTG-AJNGGQMLSA-N 2 0 279.428 1.387 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001423052955 956546196 /nfs/dbraw/zinc/54/61/96/956546196.db2.gz DIOKTHZDJLENMJ-CYBMUJFWSA-N 2 0 287.835 1.564 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001316851541 957071311 /nfs/dbraw/zinc/07/13/11/957071311.db2.gz YZTHOAKIDPSCKS-UHFFFAOYSA-N 2 0 281.444 1.426 10 30 CDEERP C#CC[NH+]1CCC(N(C)C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001316934469 957134085 /nfs/dbraw/zinc/13/40/85/957134085.db2.gz PPQZLWAXOAAYIQ-HNNXBMFYSA-N 2 0 297.418 1.222 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001317014155 957202947 /nfs/dbraw/zinc/20/29/47/957202947.db2.gz BPBSPPPSQDYJLN-CABCVRRESA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001317142783 957302599 /nfs/dbraw/zinc/30/25/99/957302599.db2.gz GRFTYMMYDTXVIW-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001317256105 957383124 /nfs/dbraw/zinc/38/31/24/957383124.db2.gz RIOQFMYFOFXRRE-CYBMUJFWSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001332064729 957420594 /nfs/dbraw/zinc/42/05/94/957420594.db2.gz OUARPGXQRLKTTM-ZIAGYGMSSA-N 2 0 267.417 1.482 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001317536518 957534493 /nfs/dbraw/zinc/53/44/93/957534493.db2.gz KPMZSYFCSADEPP-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)Cc1cncn1C)c1ccccc1 ZINC001317727440 957649233 /nfs/dbraw/zinc/64/92/33/957649233.db2.gz RRBIZLOMUMDXRY-MRXNPFEDSA-N 2 0 296.374 1.043 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001318482647 958125518 /nfs/dbraw/zinc/12/55/18/958125518.db2.gz LADDPZAFGSGICF-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001318525144 958154887 /nfs/dbraw/zinc/15/48/87/958154887.db2.gz URCAOLCUMRNDCC-CABCVRRESA-N 2 0 279.428 1.367 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001318664758 958219441 /nfs/dbraw/zinc/21/94/41/958219441.db2.gz QARYPAUDSLMCRU-UHFFFAOYSA-N 2 0 291.439 1.677 10 30 CDEERP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001318956808 958320618 /nfs/dbraw/zinc/32/06/18/958320618.db2.gz SCVVJKZOALXWMR-HDJSIYSDSA-N 2 0 277.412 1.121 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001494924531 972337730 /nfs/dbraw/zinc/33/77/30/972337730.db2.gz LXGQUOVRFUSIBO-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001320016699 958869060 /nfs/dbraw/zinc/86/90/60/958869060.db2.gz UWWHBCXGSVXJEI-UHFFFAOYSA-N 2 0 265.401 1.191 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001320152306 958975191 /nfs/dbraw/zinc/97/51/91/958975191.db2.gz KICOYGVMGQGVDE-LSDHHAIUSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001368670456 959028567 /nfs/dbraw/zinc/02/85/67/959028567.db2.gz SXCHOOWWCPFTKL-YPMHNXCESA-N 2 0 287.835 1.516 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001320890805 959443221 /nfs/dbraw/zinc/44/32/21/959443221.db2.gz ACRSHCOFUPVUNG-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)CCC[NH+]1CCCCC1 ZINC001320922322 959456917 /nfs/dbraw/zinc/45/69/17/959456917.db2.gz ZHJOTDFJIFFYPO-UHFFFAOYSA-N 2 0 293.455 1.714 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001321532440 959838221 /nfs/dbraw/zinc/83/82/21/959838221.db2.gz GXIPHHKIPIDNPV-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001495278747 972464194 /nfs/dbraw/zinc/46/41/94/972464194.db2.gz XCZJGXZDWNNOJV-CQSZACIVSA-N 2 0 287.835 1.565 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001322041474 960063203 /nfs/dbraw/zinc/06/32/03/960063203.db2.gz GPDSPOMOGQTZJS-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001324066118 961149287 /nfs/dbraw/zinc/14/92/87/961149287.db2.gz BXVVUAJLPOIJLL-CABCVRRESA-N 2 0 291.439 1.463 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001419522480 961789859 /nfs/dbraw/zinc/78/98/59/961789859.db2.gz VKIKVCRYLVDCHU-TXEJJXNPSA-N 2 0 273.808 1.318 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001436952329 962522272 /nfs/dbraw/zinc/52/22/72/962522272.db2.gz INIZVBJLXRKLFB-MJBXVCDLSA-N 2 0 299.846 1.850 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001420336453 962761771 /nfs/dbraw/zinc/76/17/71/962761771.db2.gz AHRQMVYIHDYPQH-CMPLNLGQSA-N 2 0 273.808 1.175 10 30 CDEERP C=CC[C@]1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC001340943940 963203933 /nfs/dbraw/zinc/20/39/33/963203933.db2.gz WDWJKBAHPCTQNN-CKYFFXLPSA-N 2 0 291.317 1.033 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC001342297586 963702997 /nfs/dbraw/zinc/70/29/97/963702997.db2.gz AADGZEVLCZJKTF-LBPRGKRZSA-N 2 0 253.390 1.271 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[C@@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC001343763397 964134183 /nfs/dbraw/zinc/13/41/83/964134183.db2.gz DUXXWSSDHOQAAW-ZBFHGGJFSA-N 2 0 279.428 1.581 10 30 CDEERP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001569479333 1169891301 /nfs/dbraw/zinc/89/13/01/1169891301.db2.gz UNHYJCXFEOVJFE-KRWDZBQOSA-N 2 0 291.439 1.276 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001448611214 967171855 /nfs/dbraw/zinc/17/18/55/967171855.db2.gz BVUSNNZHPMXPEL-KBPBESRZSA-N 2 0 299.846 1.517 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCC1 ZINC001569612472 1169937174 /nfs/dbraw/zinc/93/71/74/1169937174.db2.gz FAZYOZMCKGCXGR-HZPDHXFCSA-N 2 0 293.455 1.470 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001357993666 969676984 /nfs/dbraw/zinc/67/69/84/969676984.db2.gz PZTFHAAVOHFKFP-HZSPNIEDSA-N 2 0 265.401 1.223 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001522169935 970407024 /nfs/dbraw/zinc/40/70/24/970407024.db2.gz CGQAGTWLEXNUOR-RYUDHWBXSA-N 2 0 251.374 1.071 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001496097969 972794233 /nfs/dbraw/zinc/79/42/33/972794233.db2.gz JSSRKLNKNDZXRJ-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001496277798 972871236 /nfs/dbraw/zinc/87/12/36/972871236.db2.gz CNTTVRWHVYAYIN-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001497414046 973336769 /nfs/dbraw/zinc/33/67/69/973336769.db2.gz FCPZFBGIRDZXHX-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001499462038 974258149 /nfs/dbraw/zinc/25/81/49/974258149.db2.gz WXSIKAVJNFVQER-KBPBESRZSA-N 2 0 277.412 1.121 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001499855872 974317028 /nfs/dbraw/zinc/31/70/28/974317028.db2.gz YQILOFKJIHTDIP-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001499997395 974349798 /nfs/dbraw/zinc/34/97/98/974349798.db2.gz DRZGOUSKNZQUTQ-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001499994924 974350174 /nfs/dbraw/zinc/35/01/74/974350174.db2.gz WVQQNLQIHVJXIA-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500549822 974449272 /nfs/dbraw/zinc/44/92/72/974449272.db2.gz GIMDFPGUOPOCOA-MRXNPFEDSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001501404198 974578473 /nfs/dbraw/zinc/57/84/73/974578473.db2.gz OOJWAKPYZORSBL-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001501404561 974578793 /nfs/dbraw/zinc/57/87/93/974578793.db2.gz SJQWBSWIKIAQFL-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001502143422 974704592 /nfs/dbraw/zinc/70/45/92/974704592.db2.gz RGHKSHPXRQIJLR-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001502135045 974705021 /nfs/dbraw/zinc/70/50/21/974705021.db2.gz GBOZHWNTOYZKQC-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001502513680 974746016 /nfs/dbraw/zinc/74/60/16/974746016.db2.gz VMQCBWNENOIKPP-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001508119869 975615149 /nfs/dbraw/zinc/61/51/49/975615149.db2.gz GADNITQPZUWKIM-UHFFFAOYSA-N 2 0 289.423 1.217 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001405343775 975718926 /nfs/dbraw/zinc/71/89/26/975718926.db2.gz MGCLGEQEFTUZJR-RYUDHWBXSA-N 2 0 273.808 1.175 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001402678530 976439833 /nfs/dbraw/zinc/43/98/33/976439833.db2.gz DHNPBLFMQYNZCR-CYBMUJFWSA-N 2 0 287.835 1.519 10 30 CDEERP C#CCC[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001675318400 1174100885 /nfs/dbraw/zinc/10/08/85/1174100885.db2.gz ZWMCZOPVFBKXNB-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001677280844 1174344882 /nfs/dbraw/zinc/34/48/82/1174344882.db2.gz AEYWEXIWRYNHCH-HNNXBMFYSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001677338005 1174350158 /nfs/dbraw/zinc/35/01/58/1174350158.db2.gz NURLWAPPPNIXHD-GDBMZVCRSA-N 2 0 295.471 1.975 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001570398215 1170151232 /nfs/dbraw/zinc/15/12/32/1170151232.db2.gz YANOJUGCTFRBBL-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571256922 1170355392 /nfs/dbraw/zinc/35/53/92/1170355392.db2.gz FOEACAUODLMRMS-RRFJBIMHSA-N 2 0 281.444 1.777 10 30 CDEERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)[C@H]2CCC[C@H]21 ZINC000586789962 342469072 /nfs/dbraw/zinc/46/90/72/342469072.db2.gz VBQGLNXOPZSLQC-OWCLPIDISA-N 2 0 276.428 1.437 10 30 CDEERP COC1CC[NH+](CC#CC[NH+]2CCC(OC)CC2)CC1 ZINC000351617965 361806621 /nfs/dbraw/zinc/80/66/21/361806621.db2.gz FZCLQBOOFIJMOX-UHFFFAOYSA-N 2 0 280.412 1.211 10 30 CDEERP N#Cc1ccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000592470981 342698350 /nfs/dbraw/zinc/69/83/50/342698350.db2.gz RFVGUIMVEUMVIK-ARFHVFGLSA-N 2 0 285.391 1.915 10 30 CDEERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437668 342905797 /nfs/dbraw/zinc/90/57/97/342905797.db2.gz KKQYZAZONYWSMF-QWHCGFSZSA-N 2 0 268.405 1.244 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594439593 342906707 /nfs/dbraw/zinc/90/67/07/342906707.db2.gz XPCRMCKMVNNCES-CABCVRRESA-N 2 0 292.427 1.484 10 30 CDEERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594441301 342907433 /nfs/dbraw/zinc/90/74/33/342907433.db2.gz QPNGPHKHUIYCNY-KGLIPLIRSA-N 2 0 280.416 1.244 10 30 CDEERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594441738 342907804 /nfs/dbraw/zinc/90/78/04/342907804.db2.gz VXNUPQCCGJQRLR-ZIAGYGMSSA-N 2 0 280.416 1.340 10 30 CDEERP C[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)C[NH+]1CCCCC1 ZINC000600722218 342244862 /nfs/dbraw/zinc/24/48/62/342244862.db2.gz ZNFYRMLLODPDHJ-CABCVRRESA-N 2 0 279.428 1.753 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000594425037 342903877 /nfs/dbraw/zinc/90/38/77/342903877.db2.gz JHDYOBYMRXXNDG-ZIAGYGMSSA-N 2 0 280.416 1.421 10 30 CDEERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CC2)CCO1 ZINC000599477882 344069001 /nfs/dbraw/zinc/06/90/01/344069001.db2.gz KOCCNLHHQPBOHC-CABCVRRESA-N 2 0 295.427 1.084 10 30 CDEERP C=CCCC(C)(C)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000634725574 357704158 /nfs/dbraw/zinc/70/41/58/357704158.db2.gz XKISKGUVSWDFMJ-HNNXBMFYSA-N 2 0 283.460 1.177 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001661235908 1172358903 /nfs/dbraw/zinc/35/89/03/1172358903.db2.gz RHJDZMPJDVDVHF-OAHLLOKOSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194738291 375958447 /nfs/dbraw/zinc/95/84/47/375958447.db2.gz LAIMDWOWRZWAJD-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](C#N)CCC#N)CC1 ZINC000069849174 376740607 /nfs/dbraw/zinc/74/06/07/376740607.db2.gz FCBFJOLTXGGQBA-ZBFHGGJFSA-N 2 0 292.427 1.455 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000417545176 377932208 /nfs/dbraw/zinc/93/22/08/377932208.db2.gz XNVXGTNXYQULSE-ZFWWWQNUSA-N 2 0 294.443 1.324 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001662719000 1172585671 /nfs/dbraw/zinc/58/56/71/1172585671.db2.gz ZFIKFYGJMUISRG-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001662779435 1172592566 /nfs/dbraw/zinc/59/25/66/1172592566.db2.gz NICIPDHIPJPLDW-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCCn1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nn1 ZINC000655941416 412953750 /nfs/dbraw/zinc/95/37/50/412953750.db2.gz TUDGKKAWFJIBRI-GJZGRUSLSA-N 2 0 289.427 1.676 10 30 CDEERP N#CCCOCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000338941414 391234458 /nfs/dbraw/zinc/23/44/58/391234458.db2.gz HCQQZHPMXMCFAO-UHFFFAOYSA-N 2 0 295.427 1.351 10 30 CDEERP COC[C@H](CCC[NH3+])[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000423028808 392957275 /nfs/dbraw/zinc/95/72/75/392957275.db2.gz RFSAQRPDACGWKA-HNNXBMFYSA-N 2 0 273.380 1.891 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001664394947 1172848765 /nfs/dbraw/zinc/84/87/65/1172848765.db2.gz JVUXCZVXJGSYQD-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCC[NH2+]1 ZINC000662778055 413480304 /nfs/dbraw/zinc/48/03/04/413480304.db2.gz CIXARAVSQRVUHG-IIAWOOMASA-N 2 0 279.428 1.566 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC000662777533 413481794 /nfs/dbraw/zinc/48/17/94/413481794.db2.gz GTIUUPWRIWMUMX-HZPDHXFCSA-N 2 0 277.412 1.287 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCC[NH2+]1 ZINC000662783899 413493129 /nfs/dbraw/zinc/49/31/29/413493129.db2.gz PGBROXXJXWXDHU-GXSJLCMTSA-N 2 0 279.306 1.081 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC[C@H]([NH+](C)C)CC2)CCC[NH2+]1 ZINC000662794465 413512249 /nfs/dbraw/zinc/51/22/49/413512249.db2.gz PZCKLCOSDOIJDN-HOCLYGCPSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CCC[NH2+]1 ZINC000662835636 413571776 /nfs/dbraw/zinc/57/17/76/413571776.db2.gz QPDQCJPXFXHTHP-ZMSDIMECSA-N 2 0 291.439 1.818 10 30 CDEERP C[N@H+](Cc1ccc(C#CC[NH3+])s1)C1CCOCC1 ZINC000043683755 175092208 /nfs/dbraw/zinc/09/22/08/175092208.db2.gz IAGQXUPZKHKJEY-UHFFFAOYSA-N 2 0 264.394 1.669 10 30 CDEERP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1sccc1C#CC[NH3+] ZINC000043684125 175092641 /nfs/dbraw/zinc/09/26/41/175092641.db2.gz XYCDUAUTKOWBNX-WCQYABFASA-N 2 0 291.420 1.144 10 30 CDEERP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000071145426 176041734 /nfs/dbraw/zinc/04/17/34/176041734.db2.gz NKOWMSCXRAIYPY-CQSZACIVSA-N 2 0 286.379 1.428 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCC1 ZINC001666804313 1173186411 /nfs/dbraw/zinc/18/64/11/1173186411.db2.gz BPVICCJAXDCCIJ-INIZCTEOSA-N 2 0 289.423 1.124 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001667058912 1173227474 /nfs/dbraw/zinc/22/74/74/1173227474.db2.gz LGYASJKTZCDDKF-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001667668575 1173309867 /nfs/dbraw/zinc/30/98/67/1173309867.db2.gz AMVODLCJPYAFCM-UHFFFAOYSA-N 2 0 281.444 1.829 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]21 ZINC001667695216 1173311759 /nfs/dbraw/zinc/31/17/59/1173311759.db2.gz VLICFXAGIUVJPF-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672531406 1173782505 /nfs/dbraw/zinc/78/25/05/1173782505.db2.gz UQWSKVOLXQADNL-HUUCEWRRSA-N 2 0 277.412 1.027 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001481059938 1159507496 /nfs/dbraw/zinc/50/74/96/1159507496.db2.gz WLPPZRUJDKJYTA-ZIAGYGMSSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001482664183 1160585725 /nfs/dbraw/zinc/58/57/25/1160585725.db2.gz SRKBTJJFLGRCDL-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001482969156 1160652801 /nfs/dbraw/zinc/65/28/01/1160652801.db2.gz BDFCPAKOADVPHE-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001485173822 1161272392 /nfs/dbraw/zinc/27/23/92/1161272392.db2.gz HSDOBHLTTNESLC-CABCVRRESA-N 2 0 293.455 1.757 10 30 CDEERP CC(C)[NH+]1CCN(Cc2cccc(C#CC[NH3+])c2)CC1 ZINC000049609280 519682644 /nfs/dbraw/zinc/68/26/44/519682644.db2.gz QZFGGNBQQDMMPY-UHFFFAOYSA-N 2 0 271.408 1.523 10 30 CDEERP CC[N@@H+](Cc1cccc(C#CC[NH3+])c1)C[C@H]1CCCO1 ZINC000049609563 521338751 /nfs/dbraw/zinc/33/87/51/521338751.db2.gz ANFVNNDQKRIHTM-QGZVFWFLSA-N 2 0 272.392 1.998 10 30 CDEERP C[C@H](CC[NH+](C)C)NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000049561930 524160330 /nfs/dbraw/zinc/16/03/30/524160330.db2.gz UPMXNSOOBWYJSK-GFCCVEGCSA-N 2 0 291.370 1.206 10 30 CDEERP C[C@@H]1CC[N@H+](CCOc2cccc(C#CC[NH3+])c2)C1 ZINC000049609471 524508256 /nfs/dbraw/zinc/50/82/56/524508256.db2.gz WGSXUYSGOHVARZ-CQSZACIVSA-N 2 0 258.365 1.717 10 30 CDEERP C#CCC1([NH2+]CC(=O)NC2CC[NH+](CC)CC2)CCC1 ZINC000933301681 617389679 /nfs/dbraw/zinc/38/96/79/617389679.db2.gz JFJHBFVRULBABO-UHFFFAOYSA-N 2 0 277.412 1.123 10 30 CDEERP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1C#N ZINC000925836741 617866283 /nfs/dbraw/zinc/86/62/83/617866283.db2.gz CLEJIFDKIUAVNJ-UHOFOFEASA-N 2 0 273.380 1.709 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000877266317 618419405 /nfs/dbraw/zinc/41/94/05/618419405.db2.gz QKGVQUGBWSUDEZ-WOPDTQHZSA-N 2 0 271.792 1.057 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000901105177 623887604 /nfs/dbraw/zinc/88/76/04/623887604.db2.gz CMJHRJPQYVNRAP-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000907764723 627822817 /nfs/dbraw/zinc/82/28/17/627822817.db2.gz ZZMBJAAVLGMLRI-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000908142570 628044550 /nfs/dbraw/zinc/04/45/50/628044550.db2.gz ZUBMMKSJVXNPPH-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000908442290 628202615 /nfs/dbraw/zinc/20/26/15/628202615.db2.gz DHAOLPINYDQEFK-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C[N@@H+]1CCC[C@H]1CNC(NC[C@@H]1CCCO1)=[NH+]C(C)(C)C ZINC000912509237 630048796 /nfs/dbraw/zinc/04/87/96/630048796.db2.gz YFUPLFKUQVANAF-KBPBESRZSA-N 2 0 296.459 1.593 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CC ZINC001670587640 1158653815 /nfs/dbraw/zinc/65/38/15/1158653815.db2.gz JFPWVOMAJYMXSR-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001266942167 1159002411 /nfs/dbraw/zinc/00/24/11/1159002411.db2.gz LCSFCVDGTDTEPT-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691321939 1159017119 /nfs/dbraw/zinc/01/71/19/1159017119.db2.gz PSJGOICYJQSWQA-HNNXBMFYSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001691348383 1159030136 /nfs/dbraw/zinc/03/01/36/1159030136.db2.gz ZBXHQZBKXFONLE-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271206505 1160312841 /nfs/dbraw/zinc/31/28/41/1160312841.db2.gz GKJBDIHDAIJSSV-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001565986605 1168208978 /nfs/dbraw/zinc/20/89/78/1168208978.db2.gz GSIXESCGNSNPTD-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001567192867 1168614338 /nfs/dbraw/zinc/61/43/38/1168614338.db2.gz IYMJZWLLTJLPPW-INIZCTEOSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001567971215 1169101003 /nfs/dbraw/zinc/10/10/03/1169101003.db2.gz ATMJSSRVDXLNCU-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001568128976 1169141928 /nfs/dbraw/zinc/14/19/28/1169141928.db2.gz QBYHWXZBRDMPSC-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001569309215 1169757082 /nfs/dbraw/zinc/75/70/82/1169757082.db2.gz CDUWPLHPLAASJB-INIZCTEOSA-N 2 0 298.390 1.927 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001570013749 1170059880 /nfs/dbraw/zinc/05/98/80/1170059880.db2.gz QSMCTBYRPSUZOP-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[NH2+]CCC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001666263572 1173121821 /nfs/dbraw/zinc/12/18/21/1173121821.db2.gz YRHFHHBXNWBTQS-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001674496283 1173953920 /nfs/dbraw/zinc/95/39/20/1173953920.db2.gz VCBORPQVEWRVQH-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001674578707 1173964631 /nfs/dbraw/zinc/96/46/31/1173964631.db2.gz LHMOSHOUGZNICU-UHFFFAOYSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001675919756 1174164912 /nfs/dbraw/zinc/16/49/12/1174164912.db2.gz LARVENCDELMQBX-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001698831835 1175954377 /nfs/dbraw/zinc/95/43/77/1175954377.db2.gz IKLAXPAXUYTPDK-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001698873107 1175973439 /nfs/dbraw/zinc/97/34/39/1175973439.db2.gz JNUVDUXHPSGKKI-OAHLLOKOSA-N 2 0 281.444 1.635 10 30 CDEERP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001698878603 1175976205 /nfs/dbraw/zinc/97/62/05/1175976205.db2.gz LIIYTAQOZLCDRJ-HOTGVXAUSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001698991726 1176022698 /nfs/dbraw/zinc/02/26/98/1176022698.db2.gz UANYCXUNXJHMCO-HUUCEWRRSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001699032423 1176050615 /nfs/dbraw/zinc/05/06/15/1176050615.db2.gz LVDARJOSFBKKOF-HZPDHXFCSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001699108217 1176097169 /nfs/dbraw/zinc/09/71/69/1176097169.db2.gz ZCRMSRMZNZDYNS-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699263478 1176185636 /nfs/dbraw/zinc/18/56/36/1176185636.db2.gz WWYFMLRULIFNKH-PYLYLYNFSA-N 2 0 297.830 1.343 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699344201 1176275292 /nfs/dbraw/zinc/27/52/92/1176275292.db2.gz GZPZAUQRRRHTDW-MWWKQMNYSA-N 2 0 291.439 1.392 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001699431922 1176394085 /nfs/dbraw/zinc/39/40/85/1176394085.db2.gz UVJZVPKAZFHMLD-CABCVRRESA-N 2 0 297.443 1.015 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001699738358 1176596520 /nfs/dbraw/zinc/59/65/20/1176596520.db2.gz KYSAMSFVNGONTP-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001700079296 1176741396 /nfs/dbraw/zinc/74/13/96/1176741396.db2.gz KLBAZTVDGSEMPY-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]2C1 ZINC001700618360 1177038118 /nfs/dbraw/zinc/03/81/18/1177038118.db2.gz YEMQPSVWLVHWRR-ARFHVFGLSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@H]2C1 ZINC001700618361 1177039001 /nfs/dbraw/zinc/03/90/01/1177039001.db2.gz YEMQPSVWLVHWRR-HRCADAONSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001712977211 1178280002 /nfs/dbraw/zinc/28/00/02/1178280002.db2.gz QMXAXZOXOCXUNR-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001712977212 1178281514 /nfs/dbraw/zinc/28/15/14/1178281514.db2.gz QMXAXZOXOCXUNR-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001712977213 1178281582 /nfs/dbraw/zinc/28/15/82/1178281582.db2.gz QMXAXZOXOCXUNR-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001713039373 1178325042 /nfs/dbraw/zinc/32/50/42/1178325042.db2.gz SUZAJCYBYKXFTH-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001713205224 1178431380 /nfs/dbraw/zinc/43/13/80/1178431380.db2.gz FMTZXMWVMATQQX-OKILXGFUSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001713252919 1178455451 /nfs/dbraw/zinc/45/54/51/1178455451.db2.gz JFPXSRNYPZAROZ-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001713542049 1178635520 /nfs/dbraw/zinc/63/55/20/1178635520.db2.gz PTIWQTCGJLEOGT-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001713837047 1178785558 /nfs/dbraw/zinc/78/55/58/1178785558.db2.gz AYBAYFRCPJBOPU-ILXRZTDVSA-N 2 0 293.455 1.872 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001714106429 1178975982 /nfs/dbraw/zinc/97/59/82/1178975982.db2.gz LZAGKPUEWOEEOZ-XJKSGUPXSA-N 2 0 299.434 1.869 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001714238286 1179039406 /nfs/dbraw/zinc/03/94/06/1179039406.db2.gz DGIQBBXEQICBCC-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001714384785 1179116567 /nfs/dbraw/zinc/11/65/67/1179116567.db2.gz IRSMQTWFCDSHEH-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001714563368 1179219107 /nfs/dbraw/zinc/21/91/07/1179219107.db2.gz GDFMFFQIOPXMBC-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001714667113 1179311857 /nfs/dbraw/zinc/31/18/57/1179311857.db2.gz WFVPSCXCYCUPCQ-UHFFFAOYSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001715101396 1179550885 /nfs/dbraw/zinc/55/08/85/1179550885.db2.gz WMCFYHUBLACYOR-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001715335888 1179631430 /nfs/dbraw/zinc/63/14/30/1179631430.db2.gz CROMWUDTRRCNRQ-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH+](C)CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001716013602 1179986622 /nfs/dbraw/zinc/98/66/22/1179986622.db2.gz NGXFSBOPLOLJFC-GASCZTMLSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001716039289 1180011838 /nfs/dbraw/zinc/01/18/38/1180011838.db2.gz QIKMTRRWQFIBKC-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001716195370 1180091627 /nfs/dbraw/zinc/09/16/27/1180091627.db2.gz FAQZPFWSFLDJNS-CABCVRRESA-N 2 0 297.443 1.015 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001716366452 1180170569 /nfs/dbraw/zinc/17/05/69/1180170569.db2.gz BRHCMFJNGBKCEN-DHCBQETCSA-N 2 0 285.819 1.343 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717096536 1180530394 /nfs/dbraw/zinc/53/03/94/1180530394.db2.gz HLQYBRJTZKSART-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001717337481 1180622440 /nfs/dbraw/zinc/62/24/40/1180622440.db2.gz KWRMGQLNYOWQCN-UONOGXRCSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001717458621 1180680493 /nfs/dbraw/zinc/68/04/93/1180680493.db2.gz AOPNUUARNFQNOF-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001717499790 1180711020 /nfs/dbraw/zinc/71/10/20/1180711020.db2.gz LQFNJNUIDWSEBK-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001717560571 1180739617 /nfs/dbraw/zinc/73/96/17/1180739617.db2.gz UHUINOPVPDYKOC-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001717854903 1180893267 /nfs/dbraw/zinc/89/32/67/1180893267.db2.gz ZWUAWYDIHDGPKX-KBPBESRZSA-N 2 0 279.428 1.626 10 30 CDEERP C=C(C)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001722906446 1181490596 /nfs/dbraw/zinc/49/05/96/1181490596.db2.gz OOVWNUHXTSZAKU-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C=C(C)CC[NH+]1CC(N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001723815228 1181607629 /nfs/dbraw/zinc/60/76/29/1181607629.db2.gz XRUWPKLIGXUOPK-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001723919575 1181622655 /nfs/dbraw/zinc/62/26/55/1181622655.db2.gz OLHSJTNCXRXTMS-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001725068737 1181844320 /nfs/dbraw/zinc/84/43/20/1181844320.db2.gz ILAHMOLJCZAYTG-LQULJDIASA-N 2 0 279.428 1.387 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCC)CC1 ZINC001725129914 1181876448 /nfs/dbraw/zinc/87/64/48/1181876448.db2.gz PNVDHYSUGHCXFU-CABCVRRESA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001725167179 1181901361 /nfs/dbraw/zinc/90/13/61/1181901361.db2.gz UZFYSAYSISSBLZ-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001725194466 1181918329 /nfs/dbraw/zinc/91/83/29/1181918329.db2.gz JUKJSPMWFDZKFA-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[N@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001725423675 1181996107 /nfs/dbraw/zinc/99/61/07/1181996107.db2.gz FDUCQXYELOTPET-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001725630474 1182078259 /nfs/dbraw/zinc/07/82/59/1182078259.db2.gz FXHKQMBXRABCDN-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]1C ZINC001725686884 1182097331 /nfs/dbraw/zinc/09/73/31/1182097331.db2.gz WKKGLOCORDLZPD-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001731421597 1182376882 /nfs/dbraw/zinc/37/68/82/1182376882.db2.gz MFTUFBIJMGGNTA-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001731677528 1182514552 /nfs/dbraw/zinc/51/45/52/1182514552.db2.gz DQBPVBIOCYMQHU-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001732187961 1182841203 /nfs/dbraw/zinc/84/12/03/1182841203.db2.gz WPVDWSMLLYBLOP-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001732188124 1182842004 /nfs/dbraw/zinc/84/20/04/1182842004.db2.gz XJJZKIVRWIWZIV-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001732562891 1183010976 /nfs/dbraw/zinc/01/09/76/1183010976.db2.gz HFQVFDKGEZXDIG-HRCADAONSA-N 2 0 293.455 1.470 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001732999175 1183230045 /nfs/dbraw/zinc/23/00/45/1183230045.db2.gz RNJIIGSJHPUGGR-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCC1 ZINC001733384437 1183415309 /nfs/dbraw/zinc/41/53/09/1183415309.db2.gz VWQDPAMMFYODHT-OAHLLOKOSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)Cn2ccnc2C)CCC1 ZINC001733727201 1183509883 /nfs/dbraw/zinc/50/98/83/1183509883.db2.gz IPHISFSDNITDHO-UHFFFAOYSA-N 2 0 276.384 1.396 10 30 CDEERP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001734039295 1183630171 /nfs/dbraw/zinc/63/01/71/1183630171.db2.gz KAYXXOBCKQDSSV-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001734309322 1183722573 /nfs/dbraw/zinc/72/25/73/1183722573.db2.gz RQUDHARQVOVHAP-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001734439880 1183779051 /nfs/dbraw/zinc/77/90/51/1183779051.db2.gz MDDGZJNBYDTOCX-ZOBUZTSGSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001734576082 1183830980 /nfs/dbraw/zinc/83/09/80/1183830980.db2.gz LHPSNVROVMRHSB-CHWSQXEVSA-N 2 0 267.417 1.245 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000876533239 837574348 /nfs/dbraw/zinc/57/43/48/837574348.db2.gz GMQZGRORWOEKGE-MIMYLULJSA-N 2 0 259.781 1.042 10 30 CDEERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(C#N)cc1 ZINC000925815428 837809128 /nfs/dbraw/zinc/80/91/28/837809128.db2.gz QOZLBFWDFHUOHH-CYBMUJFWSA-N 2 0 272.396 1.632 10 30 CDEERP C#CCCN1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000806594691 835800220 /nfs/dbraw/zinc/80/02/20/835800220.db2.gz OZPBMALYDVXBQS-MRXNPFEDSA-N 2 0 291.439 1.418 10 30 CDEERP [NH2+]=C(NCCCCC[NH+]1CCCCC1)NC[C@@H]1CCCO1 ZINC000304055566 835823460 /nfs/dbraw/zinc/82/34/60/835823460.db2.gz MBKODPUIJVHEHQ-HNNXBMFYSA-N 2 0 296.459 1.726 10 30 CDEERP C=C(C)C(C)(C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017000 836802354 /nfs/dbraw/zinc/80/23/54/836802354.db2.gz FGOSKVKFGHMQJC-HUUCEWRRSA-N 2 0 295.471 1.787 10 30 CDEERP CC[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261778194 837341752 /nfs/dbraw/zinc/34/17/52/837341752.db2.gz OWRKICXILIHTCC-OIMNJJJWSA-N 2 0 264.417 1.433 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000876538780 838725404 /nfs/dbraw/zinc/72/54/04/838725404.db2.gz WSBHGJVQVXMGIV-ZDUSSCGKSA-N 2 0 285.819 1.447 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000876764169 839410996 /nfs/dbraw/zinc/41/09/96/839410996.db2.gz KOPYLUSETVTCLZ-AXFHLTTASA-N 2 0 259.781 1.055 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000852891778 839632429 /nfs/dbraw/zinc/63/24/29/839632429.db2.gz XZEACPMAVMURTJ-KRWDZBQOSA-N 2 0 297.402 1.163 10 30 CDEERP CC[NH+]=C(NCC1CC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000262012737 839936969 /nfs/dbraw/zinc/93/69/69/839936969.db2.gz XCBLSNDLTYNKPZ-TZMCWYRMSA-N 2 0 266.433 1.680 10 30 CDEERP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCCC#N)[C@@H](C)C1 ZINC000815071042 840554589 /nfs/dbraw/zinc/55/45/89/840554589.db2.gz DAFBHADAPMDKAZ-UONOGXRCSA-N 2 0 253.390 1.579 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000876938710 840613316 /nfs/dbraw/zinc/61/33/16/840613316.db2.gz OJYUILQKDIMYJS-GFCCVEGCSA-N 2 0 267.760 1.231 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC(C)(C)C[N@@H+](C)CCC)CC1 ZINC000856283229 840858676 /nfs/dbraw/zinc/85/86/76/840858676.db2.gz RMRDDOKIUHSFJV-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877138989 841024491 /nfs/dbraw/zinc/02/44/91/841024491.db2.gz UZMSBIQWVZYBQN-XQQFMLRXSA-N 2 0 279.771 1.910 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000876883158 841033230 /nfs/dbraw/zinc/03/32/30/841033230.db2.gz ARCHPQNMPVZLAH-NEPJUHHUSA-N 2 0 273.808 1.399 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000876781063 841438929 /nfs/dbraw/zinc/43/89/29/841438929.db2.gz ITDUYFBMHPEBOP-UMNHJUIQSA-N 2 0 271.792 1.198 10 30 CDEERP C[N@H+](CCNC(=[NH2+])N1CCSCC1)C1CCCCC1 ZINC000261976107 841767313 /nfs/dbraw/zinc/76/73/13/841767313.db2.gz FZESAXJOZHXEOT-UHFFFAOYSA-N 2 0 284.473 1.614 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCCCC1 ZINC000876952139 842073079 /nfs/dbraw/zinc/07/30/79/842073079.db2.gz XMPFEVCDIJXEFC-LBPRGKRZSA-N 2 0 273.808 1.401 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973485 842714659 /nfs/dbraw/zinc/71/46/59/842714659.db2.gz XUQIZPRZSTZTHI-CRWXNKLISA-N 2 0 278.400 1.044 10 30 CDEERP C#CCN(C)CCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000820846972 842962537 /nfs/dbraw/zinc/96/25/37/842962537.db2.gz OUZOOXPEYUTEPA-UHFFFAOYSA-N 2 0 256.353 1.608 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001565900252 1168198542 /nfs/dbraw/zinc/19/85/42/1168198542.db2.gz FFCYBJRNROYZQD-RRFJBIMHSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+][C@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001566076244 1168227629 /nfs/dbraw/zinc/22/76/29/1168227629.db2.gz UQVLYBRYQZNABF-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001566528035 1168321247 /nfs/dbraw/zinc/32/12/47/1168321247.db2.gz HAVCZYPKJXOUCW-ZBFHGGJFSA-N 2 0 291.439 1.463 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001566632514 1168363667 /nfs/dbraw/zinc/36/36/67/1168363667.db2.gz CVIPLDGNPQBPAT-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566895776 1168458981 /nfs/dbraw/zinc/45/89/81/1168458981.db2.gz OYWVTJUBQKCXCM-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001567281577 1168657914 /nfs/dbraw/zinc/65/79/14/1168657914.db2.gz QAJHZHMZSLFYRV-ZDUSSCGKSA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266252655 893927975 /nfs/dbraw/zinc/92/79/75/893927975.db2.gz XYJXSWCSKAWCMN-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266288915 894167915 /nfs/dbraw/zinc/16/79/15/894167915.db2.gz ULRHVKIMOYIUMH-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001266489219 895040782 /nfs/dbraw/zinc/04/07/82/895040782.db2.gz YVDCGWJDRRPUKK-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001266880811 896265370 /nfs/dbraw/zinc/26/53/70/896265370.db2.gz OTNJNGUHFKCCHF-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001267012146 896550570 /nfs/dbraw/zinc/55/05/70/896550570.db2.gz YJVBSZDNNKXMTJ-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[N@H+](CCC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001493318029 897830882 /nfs/dbraw/zinc/83/08/82/897830882.db2.gz KDLIJGMQCHNHCJ-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001267468751 898069431 /nfs/dbraw/zinc/06/94/31/898069431.db2.gz BXMPFGVYLVIESH-UHFFFAOYSA-N 2 0 253.390 1.096 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001267491887 898147444 /nfs/dbraw/zinc/14/74/44/898147444.db2.gz PMSFZXZVBVYDHR-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001267847593 899864525 /nfs/dbraw/zinc/86/45/25/899864525.db2.gz ZRIDNCSLOCNAHX-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001567693856 1168920408 /nfs/dbraw/zinc/92/04/08/1168920408.db2.gz ZSDNOJYAAFNBOL-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001267973885 900148269 /nfs/dbraw/zinc/14/82/69/900148269.db2.gz DLAIWFJFJOEQNB-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267989561 900208687 /nfs/dbraw/zinc/20/86/87/900208687.db2.gz MOPWKSIHORQJIL-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001268001952 900247190 /nfs/dbraw/zinc/24/71/90/900247190.db2.gz MKSZDIFFGRTOLF-AWEZNQCLSA-N 2 0 281.444 1.636 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001282067068 901381318 /nfs/dbraw/zinc/38/13/18/901381318.db2.gz SYQAOORLGUHAGH-UHFFFAOYSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001268285926 901750338 /nfs/dbraw/zinc/75/03/38/901750338.db2.gz BNABUGXGUQFZQG-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001268426008 902040900 /nfs/dbraw/zinc/04/09/00/902040900.db2.gz IHOASYQGTOUSKU-HNNXBMFYSA-N 2 0 279.428 1.370 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CCCF)CC1 ZINC001481880087 902258589 /nfs/dbraw/zinc/25/85/89/902258589.db2.gz BSOAUYQXBRSQIV-HNNXBMFYSA-N 2 0 297.418 1.176 10 30 CDEERP C#CC[NH2+]CCC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001481999379 902455318 /nfs/dbraw/zinc/45/53/18/902455318.db2.gz MARSDUXRTGTRRW-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001269331440 903700225 /nfs/dbraw/zinc/70/02/25/903700225.db2.gz KHHYUCHXENCRFT-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001269449059 903818059 /nfs/dbraw/zinc/81/80/59/903818059.db2.gz SOPIIMLMUJNCBO-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001269601042 903966328 /nfs/dbraw/zinc/96/63/28/903966328.db2.gz BWOWUGNFOUAZKV-CVEARBPZSA-N 2 0 291.439 1.415 10 30 CDEERP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001270600376 904776515 /nfs/dbraw/zinc/77/65/15/904776515.db2.gz ZDQSYFKUQPJFSG-DOTOQJQBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH+]1CC[C@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001270624350 904832616 /nfs/dbraw/zinc/83/26/16/904832616.db2.gz OZMHEDRFRKNTNR-ZBFHGGJFSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCC1 ZINC001270757263 905025206 /nfs/dbraw/zinc/02/52/06/905025206.db2.gz MXZWEJBALRWZGI-HNNXBMFYSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001270907282 905416587 /nfs/dbraw/zinc/41/65/87/905416587.db2.gz YZBGAGAPIWNPFY-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271609499 906547920 /nfs/dbraw/zinc/54/79/20/906547920.db2.gz PKYBZXHQGYLKII-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001483061187 909207291 /nfs/dbraw/zinc/20/72/91/909207291.db2.gz SRRIVCYCJDSJCS-FPLPWBNLSA-N 2 0 267.417 1.412 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001483142777 909804697 /nfs/dbraw/zinc/80/46/97/909804697.db2.gz KCGIQHISYSSTEX-LLVKDONJSA-N 2 0 272.352 1.537 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001483231682 910332028 /nfs/dbraw/zinc/33/20/28/910332028.db2.gz WHCXWXZAYRHJEW-LBPRGKRZSA-N 2 0 293.436 1.541 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001483584281 911293799 /nfs/dbraw/zinc/29/37/99/911293799.db2.gz WLNDLXMQWQFLTC-HOTGVXAUSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001568153478 1169149693 /nfs/dbraw/zinc/14/96/93/1169149693.db2.gz VWECCMMJPLPYDS-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001483806023 915090379 /nfs/dbraw/zinc/09/03/79/915090379.db2.gz KIPUHDVXAQTYSI-MQVJKMGUSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484126473 915448470 /nfs/dbraw/zinc/44/84/70/915448470.db2.gz WPPCWKOFUUIMCD-HIFRSBDPSA-N 2 0 299.846 1.519 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001484747260 916133494 /nfs/dbraw/zinc/13/34/94/916133494.db2.gz OFOMVWKXUTVMSG-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001484993895 916378191 /nfs/dbraw/zinc/37/81/91/916378191.db2.gz QMTQBZOSXTYFDZ-QJPTWQEYSA-N 2 0 262.357 1.184 10 30 CDEERP C[C@H](CNC(=[NH2+])NCCc1cccs1)C[NH+]1CCCC1 ZINC000303885800 935047445 /nfs/dbraw/zinc/04/74/45/935047445.db2.gz NJKHLHYVXGYXBR-CYBMUJFWSA-N 2 0 294.468 1.927 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001485229470 916682947 /nfs/dbraw/zinc/68/29/47/916682947.db2.gz JNDVAKIXHNZXPM-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001485386482 916939062 /nfs/dbraw/zinc/93/90/62/916939062.db2.gz AEAUXEMRGZUGCZ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001485457913 916991268 /nfs/dbraw/zinc/99/12/68/916991268.db2.gz DGFABUGVBRYLJM-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001485507664 917051708 /nfs/dbraw/zinc/05/17/08/917051708.db2.gz XMXMBHFWYWYURG-UKRRQHHQSA-N 2 0 299.434 1.679 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001485791844 917292854 /nfs/dbraw/zinc/29/28/54/917292854.db2.gz PLUKDWNYSWCPBV-OAHLLOKOSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC001138259809 936503722 /nfs/dbraw/zinc/50/37/22/936503722.db2.gz PMOSFWPFLYNJJQ-UHFFFAOYSA-N 2 0 289.423 1.525 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001486127933 920759866 /nfs/dbraw/zinc/75/98/66/920759866.db2.gz HZOXOYOOYGBMGE-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@H+]1CCC[C@H](NC(=O)CCCn2ccnc2)[C@@H]1C ZINC001486185881 920789268 /nfs/dbraw/zinc/78/92/68/920789268.db2.gz DVHUQMBHRVPQBX-GJZGRUSLSA-N 2 0 288.395 1.266 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001649445255 1169255899 /nfs/dbraw/zinc/25/58/99/1169255899.db2.gz JPHMCEAJHWNWIJ-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001568367174 1169261572 /nfs/dbraw/zinc/26/15/72/1169261572.db2.gz FNWQSLASNJTZAQ-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001491251732 936884056 /nfs/dbraw/zinc/88/40/56/936884056.db2.gz ASEMKLPJQRZZMY-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C1CCC(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001491370315 936898581 /nfs/dbraw/zinc/89/85/81/936898581.db2.gz OEPCSYMCQNJTIX-UHFFFAOYSA-N 2 0 291.439 1.513 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001568398531 1169271386 /nfs/dbraw/zinc/27/13/86/1169271386.db2.gz XZNKWHSUNRJUHL-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001490776826 927342011 /nfs/dbraw/zinc/34/20/11/927342011.db2.gz KZVBFKAXGKIQHH-CVEARBPZSA-N 2 0 291.439 1.132 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001568468613 1169301787 /nfs/dbraw/zinc/30/17/87/1169301787.db2.gz LANJZQIDSBOXSM-GJZGRUSLSA-N 2 0 283.460 1.879 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001274785890 931576700 /nfs/dbraw/zinc/57/67/00/931576700.db2.gz FMIRKEUGPZTGSA-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001274824600 931584509 /nfs/dbraw/zinc/58/45/09/931584509.db2.gz CNMDBFXYDNDFPN-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001275114313 931668731 /nfs/dbraw/zinc/66/87/31/931668731.db2.gz IBBMAAMOPYRPAJ-HNNXBMFYSA-N 2 0 279.428 1.580 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001275279896 931722717 /nfs/dbraw/zinc/72/27/17/931722717.db2.gz APEUVWXRAKNTOL-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001275730776 931984341 /nfs/dbraw/zinc/98/43/41/931984341.db2.gz XJGCRPNTXQWSSF-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001121922823 937890824 /nfs/dbraw/zinc/89/08/24/937890824.db2.gz PUJJCBPTCMYJSF-KKUMJFAQSA-N 2 0 281.444 1.859 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]C(C)C)CC1 ZINC001568714552 1169442981 /nfs/dbraw/zinc/44/29/81/1169442981.db2.gz VOEVMPOWJPNGPG-CQSZACIVSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001276649352 940599212 /nfs/dbraw/zinc/59/92/12/940599212.db2.gz ZYHWXGKMZHICLO-MRXNPFEDSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)CN1CC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001276923490 941700733 /nfs/dbraw/zinc/70/07/33/941700733.db2.gz JEKUYBXTDMAKSO-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CCO1 ZINC001330424366 941900929 /nfs/dbraw/zinc/90/09/29/941900929.db2.gz IYFSHZYPMQIOQH-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001281931949 942633791 /nfs/dbraw/zinc/63/37/91/942633791.db2.gz GQMABLDCWBTFLM-HZPDHXFCSA-N 2 0 291.439 1.415 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001282397329 942704335 /nfs/dbraw/zinc/70/43/35/942704335.db2.gz DCLJZTTUGCEWSI-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001282478464 942720137 /nfs/dbraw/zinc/72/01/37/942720137.db2.gz RBIJTYIZXQNHRV-QWHCGFSZSA-N 2 0 255.406 1.339 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001282738161 942746530 /nfs/dbraw/zinc/74/65/30/942746530.db2.gz PGXDEUDJRMJHJQ-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001282834514 942756525 /nfs/dbraw/zinc/75/65/25/942756525.db2.gz WVQWWFFOFKKIPD-UONOGXRCSA-N 2 0 281.444 1.585 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001316629136 942976938 /nfs/dbraw/zinc/97/69/38/942976938.db2.gz ZZOADCJODBDDLV-KKUMJFAQSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001284001539 943044058 /nfs/dbraw/zinc/04/40/58/943044058.db2.gz BPLAGCZNEMNDQZ-LSDHHAIUSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001284132857 943085004 /nfs/dbraw/zinc/08/50/04/943085004.db2.gz SGBFGHBPPRFGAV-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC001263112441 943752720 /nfs/dbraw/zinc/75/27/20/943752720.db2.gz HUBHBCVVQUNONV-OLZOCXBDSA-N 2 0 253.390 1.223 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001277954173 944207467 /nfs/dbraw/zinc/20/74/67/944207467.db2.gz NHQHPIMJJDRPEK-HOTGVXAUSA-N 2 0 293.455 1.709 10 30 CDEERP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001266069402 944664381 /nfs/dbraw/zinc/66/43/81/944664381.db2.gz VYSLCGHMTUOAHY-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568865382 1169524665 /nfs/dbraw/zinc/52/46/65/1169524665.db2.gz BYHDAQJGORCMMS-RGDDUWESSA-N 2 0 279.428 1.699 10 30 CDEERP C=CCC[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001479782123 971416860 /nfs/dbraw/zinc/41/68/60/971416860.db2.gz JPJQNHNXAIQUGD-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278437987 948053522 /nfs/dbraw/zinc/05/35/22/948053522.db2.gz MHFKTXNEZIUSAQ-ZBFHGGJFSA-N 2 0 297.443 1.110 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001331646431 948584788 /nfs/dbraw/zinc/58/47/88/948584788.db2.gz IEFZWYCJPITFGO-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001480024618 971543076 /nfs/dbraw/zinc/54/30/76/971543076.db2.gz LWRUOYZMZZNGHZ-HZPDHXFCSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001480263752 971652590 /nfs/dbraw/zinc/65/25/90/971652590.db2.gz VUHFKSVMYMTNAQ-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001480462856 971741501 /nfs/dbraw/zinc/74/15/01/971741501.db2.gz YXJNEQKYGORRED-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001480675903 971834981 /nfs/dbraw/zinc/83/49/81/971834981.db2.gz KAUFECQUCXZOFO-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001480799310 971883804 /nfs/dbraw/zinc/88/38/04/971883804.db2.gz SQZDJSSTXPVLPA-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001325458216 953912218 /nfs/dbraw/zinc/91/22/18/953912218.db2.gz VHRZOBBASWCVET-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001326420131 954371288 /nfs/dbraw/zinc/37/12/88/954371288.db2.gz YZUYNUNRQKVDGL-HZPDHXFCSA-N 2 0 295.471 1.977 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001493290233 972010173 /nfs/dbraw/zinc/01/01/73/972010173.db2.gz FAJOUMVODAEGIC-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCC1 ZINC001326845120 954586753 /nfs/dbraw/zinc/58/67/53/954586753.db2.gz GYSAQBGYWAJYNP-HNNXBMFYSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001327455280 954885666 /nfs/dbraw/zinc/88/56/66/954885666.db2.gz LLJKGEYDQYHTGU-OAHLLOKOSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[N@H+]1Cc2ccc(CNC(=O)CC[NH+](C)C)cc2C1 ZINC001327695946 955002319 /nfs/dbraw/zinc/00/23/19/955002319.db2.gz MBXKIBIMZZLMSU-UHFFFAOYSA-N 2 0 299.418 1.593 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001491765703 955408967 /nfs/dbraw/zinc/40/89/67/955408967.db2.gz VJGKLRDVHJYEBD-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491856129 955469247 /nfs/dbraw/zinc/46/92/47/955469247.db2.gz JXBXBSFMHMARQF-OAHLLOKOSA-N 2 0 279.428 1.487 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001491855724 955470273 /nfs/dbraw/zinc/47/02/73/955470273.db2.gz KLVCGUPNZYCIEL-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001491813106 955477092 /nfs/dbraw/zinc/47/70/92/955477092.db2.gz ZCZVAYNDZRCRKG-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001328861800 955520274 /nfs/dbraw/zinc/52/02/74/955520274.db2.gz WNZDNMWGYXSRLT-UYSNPLJNSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492024595 955612688 /nfs/dbraw/zinc/61/26/88/955612688.db2.gz SQDGSMDSTOVHIU-ZBFHGGJFSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001492101978 955626524 /nfs/dbraw/zinc/62/65/24/955626524.db2.gz PPWZCYLNWAZSBB-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001329044486 955646169 /nfs/dbraw/zinc/64/61/69/955646169.db2.gz FNTSRLDMVFAXEC-RYUDHWBXSA-N 2 0 293.436 1.539 10 30 CDEERP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001329954733 956201396 /nfs/dbraw/zinc/20/13/96/956201396.db2.gz VBFNWUGYLSZXGF-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001317358588 956219401 /nfs/dbraw/zinc/21/94/01/956219401.db2.gz SKFANBSAEFIXKF-CQSZACIVSA-N 2 0 276.384 1.287 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001330052809 956254743 /nfs/dbraw/zinc/25/47/43/956254743.db2.gz CZGPEKBCBOKTEG-ZFWWWQNUSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001330665968 956554097 /nfs/dbraw/zinc/55/40/97/956554097.db2.gz BWNQOGILCZBBET-KLHDSHLOSA-N 2 0 289.423 1.121 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)Cn1ccnc1 ZINC001423192921 956658887 /nfs/dbraw/zinc/65/88/87/956658887.db2.gz YSABAGCDQLFIPK-NSHDSACASA-N 2 0 270.764 1.072 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001317480269 956671653 /nfs/dbraw/zinc/67/16/53/956671653.db2.gz UDXCIBDTIWKVDH-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001331320864 956967068 /nfs/dbraw/zinc/96/70/68/956967068.db2.gz WAIIDYPQBFVRSF-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001331323676 956968865 /nfs/dbraw/zinc/96/88/65/956968865.db2.gz GHJFTXLMHKUVFY-HUUCEWRRSA-N 2 0 281.444 1.585 10 30 CDEERP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316771675 957007967 /nfs/dbraw/zinc/00/79/67/957007967.db2.gz LRSJSSOEUFZTQS-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001331405961 957030398 /nfs/dbraw/zinc/03/03/98/957030398.db2.gz LXQFNAVBOTVXAY-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001331490492 957097503 /nfs/dbraw/zinc/09/75/03/957097503.db2.gz GQPUITUNBARDEB-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001316920180 957127039 /nfs/dbraw/zinc/12/70/39/957127039.db2.gz KPOZWXZKHNYAAS-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CC(=C)C)CC1 ZINC001331642876 957182212 /nfs/dbraw/zinc/18/22/12/957182212.db2.gz DGLWFMQIUOVVFE-HNNXBMFYSA-N 2 0 291.439 1.344 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001317069167 957243409 /nfs/dbraw/zinc/24/34/09/957243409.db2.gz GNFDXHZVGXPWIX-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001317192894 957334550 /nfs/dbraw/zinc/33/45/50/957334550.db2.gz HMWDQAULINGTEA-HNNXBMFYSA-N 2 0 289.423 1.076 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001331920044 957336461 /nfs/dbraw/zinc/33/64/61/957336461.db2.gz UQPPIEOJWJNMKX-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317781026 957661790 /nfs/dbraw/zinc/66/17/90/957661790.db2.gz XIFUUUCBZKIIKW-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001333115825 958081085 /nfs/dbraw/zinc/08/10/85/958081085.db2.gz DMVDQWSSWAUFAZ-GPANFISMSA-N 2 0 293.455 1.709 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001318492022 958130003 /nfs/dbraw/zinc/13/00/03/958130003.db2.gz NFZPVCAWDKMXLK-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)CCC[NH+]1CCCC1 ZINC001318607089 958196786 /nfs/dbraw/zinc/19/67/86/958196786.db2.gz NNPIUXZBVQBDIW-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP C=CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001318686076 958230507 /nfs/dbraw/zinc/23/05/07/958230507.db2.gz HYZWJHOJPZWRAY-HOCLYGCPSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001318979240 958327227 /nfs/dbraw/zinc/32/72/27/958327227.db2.gz OMTMQDBLWYUKAY-SHTZXODSSA-N 2 0 291.439 1.675 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001319476007 958585723 /nfs/dbraw/zinc/58/57/23/958585723.db2.gz MREHLGBMDZQNPM-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001495278588 972463216 /nfs/dbraw/zinc/46/32/16/972463216.db2.gz WWOTUUCWDXOCRY-PBHICJAKSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001322243178 960149510 /nfs/dbraw/zinc/14/95/10/960149510.db2.gz CMQVHDATJUCONY-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001322693073 960298168 /nfs/dbraw/zinc/29/81/68/960298168.db2.gz BLIWXWWISVTJAY-MRXNPFEDSA-N 2 0 297.418 1.270 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]CC(=C)C)CC1 ZINC001322844133 960341635 /nfs/dbraw/zinc/34/16/35/960341635.db2.gz NXZHNTLFWKXKGC-UHFFFAOYSA-N 2 0 291.439 1.346 10 30 CDEERP C#CC1(O)CC[NH+](CC2CC[NH+](CC)CC2)CC1 ZINC001560946672 961034812 /nfs/dbraw/zinc/03/48/12/961034812.db2.gz XFIAHXNRKDZIHL-UHFFFAOYSA-N 2 0 250.386 1.178 10 30 CDEERP C#CC[C@@H](CCOC)[NH2+]CC1CC[NH+](CC)CC1 ZINC001560954902 961041346 /nfs/dbraw/zinc/04/13/46/961041346.db2.gz GBXYKZIKTBLBBQ-HNNXBMFYSA-N 2 0 252.402 1.736 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001324225199 961247880 /nfs/dbraw/zinc/24/78/80/961247880.db2.gz IZMBZGCSLXLFKG-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001419207809 961504761 /nfs/dbraw/zinc/50/47/61/961504761.db2.gz GIWYARNTJKAHPB-CHWSQXEVSA-N 2 0 287.835 1.708 10 30 CDEERP C=C(CC(C)C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC001350067533 966569891 /nfs/dbraw/zinc/56/98/91/966569891.db2.gz RNRHUIKJKXFFGU-HNNXBMFYSA-N 2 0 283.460 1.977 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001350585815 966702056 /nfs/dbraw/zinc/70/20/56/966702056.db2.gz PTYKXGOJHLJVIZ-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001480283659 967287885 /nfs/dbraw/zinc/28/78/85/967287885.db2.gz MERJJJIWGYPDIO-LSDHHAIUSA-N 2 0 299.434 1.681 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001496614400 972990547 /nfs/dbraw/zinc/99/05/47/972990547.db2.gz CJNFBJYFDOXOAB-HNNXBMFYSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(Cl)CN1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001372539205 973005635 /nfs/dbraw/zinc/00/56/35/973005635.db2.gz AUULZIDAAWCNLN-LBPRGKRZSA-N 2 0 273.808 1.271 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001497501077 973368886 /nfs/dbraw/zinc/36/88/86/973368886.db2.gz MZUIBQDFEZJOAB-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001373823526 973658270 /nfs/dbraw/zinc/65/82/70/973658270.db2.gz YDVXBMUROXIROC-CHWSQXEVSA-N 2 0 287.835 1.565 10 30 CDEERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001418268363 973714199 /nfs/dbraw/zinc/71/41/99/973714199.db2.gz NYXZIMNWWGNYNH-CYBMUJFWSA-N 2 0 288.395 1.104 10 30 CDEERP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499613491 974275298 /nfs/dbraw/zinc/27/52/98/974275298.db2.gz DUFSVYYTLCKTMI-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001501579184 974602901 /nfs/dbraw/zinc/60/29/01/974602901.db2.gz ZGIYDRQPXBHJQB-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001501999982 974671777 /nfs/dbraw/zinc/67/17/77/974671777.db2.gz PBCLHWOOMANFMT-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001502147762 974706234 /nfs/dbraw/zinc/70/62/34/974706234.db2.gz PMWHTPSMQMPFOI-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001505537737 974902086 /nfs/dbraw/zinc/90/20/86/974902086.db2.gz KILOHRRGNQAOKB-GPANFISMSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)C ZINC001508040446 975585261 /nfs/dbraw/zinc/58/52/61/975585261.db2.gz WDQFQHVDCNDSHT-CQSZACIVSA-N 2 0 281.444 1.472 10 30 CDEERP C=CCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001492879798 976387463 /nfs/dbraw/zinc/38/74/63/976387463.db2.gz WXPMTEUPWFTCFR-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001394367189 978142652 /nfs/dbraw/zinc/14/26/52/978142652.db2.gz TXUAZNHAQOSDTR-JOCQHMNTSA-N 2 0 299.846 1.708 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001674154540 1173920053 /nfs/dbraw/zinc/92/00/53/1173920053.db2.gz LZQYKLIVEUKVBK-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@@H+](CC)CC1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001674348018 1173934292 /nfs/dbraw/zinc/93/42/92/1173934292.db2.gz NEBJKBWOKZDBOA-UHFFFAOYSA-N 2 0 288.395 1.146 10 30 CDEERP C#CCC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001676814943 1174276666 /nfs/dbraw/zinc/27/66/66/1174276666.db2.gz KEDHWYZDJYHWSU-NVXWUHKLSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001571503793 1170456600 /nfs/dbraw/zinc/45/66/00/1170456600.db2.gz WCKVDZJOFDYGBT-LZWOXQAQSA-N 2 0 279.428 1.626 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001571547788 1170472524 /nfs/dbraw/zinc/47/25/24/1170472524.db2.gz GZEPXCCHMKZQLI-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437184 342905739 /nfs/dbraw/zinc/90/57/39/342905739.db2.gz IZOMTOICZFVRQH-HUUCEWRRSA-N 2 0 294.443 1.634 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000594456887 342911660 /nfs/dbraw/zinc/91/16/60/342911660.db2.gz UTKQHQBPNXINPL-OAHLLOKOSA-N 2 0 292.427 1.388 10 30 CDEERP CC1(C)CC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC(C)(C)[NH2+]1 ZINC000600738670 342246658 /nfs/dbraw/zinc/24/66/58/342246658.db2.gz JMRLOVAMUDGWDQ-ZDUSSCGKSA-N 2 0 279.428 1.940 10 30 CDEERP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000600768889 349879214 /nfs/dbraw/zinc/87/92/14/349879214.db2.gz HOSVVIAPLNOAJY-XEZPLFJOSA-N 2 0 289.379 1.870 10 30 CDEERP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759609 364820780 /nfs/dbraw/zinc/82/07/80/364820780.db2.gz DNPWIYZUDXVGMC-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP N#Cc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000069707669 374603342 /nfs/dbraw/zinc/60/33/42/374603342.db2.gz LDIVNIFNHSCAOE-UHFFFAOYSA-N 2 0 273.380 1.760 10 30 CDEERP C=CCC[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000247458429 377120733 /nfs/dbraw/zinc/12/07/33/377120733.db2.gz PLSRNMDAGQDQTG-ZBFHGGJFSA-N 2 0 284.444 1.338 10 30 CDEERP N#CCc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000574692175 335040133 /nfs/dbraw/zinc/04/01/33/335040133.db2.gz STFSXNKOZVNBNV-FGTMMUONSA-N 2 0 299.418 1.999 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001662423995 1172548268 /nfs/dbraw/zinc/54/82/68/1172548268.db2.gz HVVZRTHSWMFINE-CQSZACIVSA-N 2 0 267.417 1.533 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001662857463 1172605429 /nfs/dbraw/zinc/60/54/29/1172605429.db2.gz ZXBFPCMEQBCCJE-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[C@@]1(C(=O)N(C)CC[N@H+](C)C2CC2)CCC[NH2+]1 ZINC000662803078 413521408 /nfs/dbraw/zinc/52/14/08/413521408.db2.gz VDVZMHYBOSDYNH-HNNXBMFYSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCN(Cc1cccs1)C[C@H]1C[NH2+]CCO1 ZINC000662248404 414582787 /nfs/dbraw/zinc/58/27/87/414582787.db2.gz APMAGQIJDLNBSF-GFCCVEGCSA-N 2 0 252.383 1.725 10 30 CDEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001665800120 1173063843 /nfs/dbraw/zinc/06/38/43/1173063843.db2.gz YXFVVJFBIMOKRD-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP [NH3+]CC#Cc1ccc(C[NH+]2CCSCC2)s1 ZINC000043683575 175091987 /nfs/dbraw/zinc/09/19/87/175091987.db2.gz OUUZATPSRKMBQZ-UHFFFAOYSA-N 2 0 252.408 1.607 10 30 CDEERP COC[C@@H](C)[N@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043688962 175095423 /nfs/dbraw/zinc/09/54/23/175095423.db2.gz CMBCKIVXIAYYHR-LLVKDONJSA-N 2 0 252.383 1.525 10 30 CDEERP CN(Cc1ccc(F)c(C#CC[NH3+])c1)C[C@H]1CC[N@H+](C)C1 ZINC000071190483 176066700 /nfs/dbraw/zinc/06/67/00/176066700.db2.gz QRMQYBRRIRPGFV-HNNXBMFYSA-N 2 0 289.398 1.519 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001666162117 1173115194 /nfs/dbraw/zinc/11/51/94/1173115194.db2.gz KKBAXTIUNTZSAY-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662703803 424347756 /nfs/dbraw/zinc/34/77/56/424347756.db2.gz UVDFYIFIOULUHJ-IUODEOHRSA-N 2 0 263.385 1.038 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000662781759 424456660 /nfs/dbraw/zinc/45/66/60/424456660.db2.gz XZKXNPPUAKUHHG-WBVHZDCISA-N 2 0 291.439 1.533 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001667566424 1173290611 /nfs/dbraw/zinc/29/06/11/1173290611.db2.gz QZNCRMZOTVLVOQ-HNNXBMFYSA-N 2 0 279.428 1.295 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668088834 1173367643 /nfs/dbraw/zinc/36/76/43/1173367643.db2.gz ZZNYQXQDICDVII-ZBFHGGJFSA-N 2 0 291.439 1.511 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001669140226 1173508455 /nfs/dbraw/zinc/50/84/55/1173508455.db2.gz XAFGUZQBSOQUFY-RGDDUWESSA-N 2 0 279.428 1.556 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001669411770 1173547871 /nfs/dbraw/zinc/54/78/71/1173547871.db2.gz VNUXRXLKHOINEO-HUUCEWRRSA-N 2 0 279.428 1.367 10 30 CDEERP C[NH+]=C(N[C@@H]1CC1(C)C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262739714 330029114 /nfs/dbraw/zinc/02/91/14/330029114.db2.gz DJAHCOHYINNEOP-TZMCWYRMSA-N 2 0 278.444 1.967 10 30 CDEERP C[NH+]=C(NC1CCC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262756791 330029630 /nfs/dbraw/zinc/02/96/30/330029630.db2.gz BRKGHBOUZSHAFI-OAHLLOKOSA-N 2 0 278.444 1.968 10 30 CDEERP C[NH+]=C(NC1CCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000262807210 330032988 /nfs/dbraw/zinc/03/29/88/330032988.db2.gz TVDRQWMVMOPDII-CQSZACIVSA-N 2 0 278.444 1.922 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001691446954 1159304318 /nfs/dbraw/zinc/30/43/18/1159304318.db2.gz LPQGCJKLNDVFBB-QLFBSQMISA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001714547196 1179200999 /nfs/dbraw/zinc/20/09/99/1179200999.db2.gz HYEUUVFRPNNXAX-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001732055519 1182743725 /nfs/dbraw/zinc/74/37/25/1182743725.db2.gz YJLXUSXYTCRJTC-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP CCOC1CC[NH+](Cc2cccc(C#CC[NH3+])c2)CC1 ZINC000049609446 521657161 /nfs/dbraw/zinc/65/71/61/521657161.db2.gz RYRPNUUUCLICQQ-UHFFFAOYSA-N 2 0 272.392 1.998 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCC[C@H]2CO)c(F)c1 ZINC000049609765 527149218 /nfs/dbraw/zinc/14/92/18/527149218.db2.gz NGKWZRPHFUMGEY-AWEZNQCLSA-N 2 0 262.328 1.093 10 30 CDEERP C[C@H]1C[N@H+](Cc2ccccc2)CCC1N=NC(N)=[NH2+] ZINC000734362090 575338963 /nfs/dbraw/zinc/33/89/63/575338963.db2.gz LFGTVYDOVISSAF-NSHDSACASA-N 2 0 259.357 1.367 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000764568824 575921196 /nfs/dbraw/zinc/92/11/96/575921196.db2.gz CKAZVASLMLPPIJ-JSGCOSHPSA-N 2 0 267.417 1.293 10 30 CDEERP C#CC[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001689267065 1175133487 /nfs/dbraw/zinc/13/34/87/1175133487.db2.gz DEJQVYIWXFELAP-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940624285 613018594 /nfs/dbraw/zinc/01/85/94/613018594.db2.gz CJBJUVMPMZNVHU-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP N#Cc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925714887 617826915 /nfs/dbraw/zinc/82/69/15/617826915.db2.gz YHVWKUNKHOAOTM-LSDHHAIUSA-N 2 0 255.365 1.960 10 30 CDEERP C=C(C)C[C@@H](CO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000895712668 619809835 /nfs/dbraw/zinc/80/98/35/619809835.db2.gz CMTYGAIXYBNSHX-AWEZNQCLSA-N 2 0 270.417 1.138 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000900824982 623533698 /nfs/dbraw/zinc/53/36/98/623533698.db2.gz QHUYIVVYUYRLHS-ZIAGYGMSSA-N 2 0 267.417 1.435 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000901253794 624070704 /nfs/dbraw/zinc/07/07/04/624070704.db2.gz AKGWYTADGHMPGI-CQSZACIVSA-N 2 0 281.444 1.683 10 30 CDEERP C[C@]1(CN2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]C1 ZINC000903987748 626174965 /nfs/dbraw/zinc/17/49/65/626174965.db2.gz IHNZTVIOZZOTRF-RDJZCZTQSA-N 2 0 299.422 1.829 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000912065673 629747767 /nfs/dbraw/zinc/74/77/67/629747767.db2.gz MQEKAIZKKRSJIX-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000912285306 629893777 /nfs/dbraw/zinc/89/37/77/629893777.db2.gz VSZXZNHRDVGYEL-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000913738106 630741348 /nfs/dbraw/zinc/74/13/48/630741348.db2.gz JXRHKXUPNTVRNB-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001283173576 1158835598 /nfs/dbraw/zinc/83/55/98/1158835598.db2.gz MHPRRHYAFPCCCS-ZBFHGGJFSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001699963230 1158868358 /nfs/dbraw/zinc/86/83/58/1158868358.db2.gz LMWJXZVDIDFROB-CABCVRRESA-N 2 0 291.439 1.036 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001700195946 1158934430 /nfs/dbraw/zinc/93/44/30/1158934430.db2.gz OVAKJEDZQDFSGM-OAHLLOKOSA-N 2 0 279.428 1.295 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001266942165 1159003139 /nfs/dbraw/zinc/00/31/39/1159003139.db2.gz LCSFCVDGTDTEPT-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691410651 1159061329 /nfs/dbraw/zinc/06/13/29/1159061329.db2.gz RLFLIRCFWGXQPM-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267032708 1159094370 /nfs/dbraw/zinc/09/43/70/1159094370.db2.gz LGTICAIGIPUOMZ-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001483355514 1160911633 /nfs/dbraw/zinc/91/16/33/1160911633.db2.gz DHKFSVFZLAJIBR-ZDUSSCGKSA-N 2 0 265.401 1.237 10 30 CDEERP CC#CC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001486380188 1161453994 /nfs/dbraw/zinc/45/39/94/1161453994.db2.gz YVGPZCYZUDOEDE-HNNXBMFYSA-N 2 0 279.428 1.130 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC001633422127 1166420213 /nfs/dbraw/zinc/42/02/13/1166420213.db2.gz WWJGZCDJTLYHGN-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001565835588 1168178740 /nfs/dbraw/zinc/17/87/40/1168178740.db2.gz PQFKAFMOGUESBC-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001567847241 1169014134 /nfs/dbraw/zinc/01/41/34/1169014134.db2.gz ZLWPOKPEOGBCKK-OAHLLOKOSA-N 2 0 281.444 1.587 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567915752 1169067159 /nfs/dbraw/zinc/06/71/59/1169067159.db2.gz XEPCJWHTXZPNSD-CQSZACIVSA-N 2 0 277.412 1.027 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001568185557 1169166401 /nfs/dbraw/zinc/16/64/01/1169166401.db2.gz UUQIKQXAANVWDR-OAHLLOKOSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568749643 1169460585 /nfs/dbraw/zinc/46/05/85/1169460585.db2.gz MNCIYXSAKUSVFQ-AWEZNQCLSA-N 2 0 267.417 1.034 10 30 CDEERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001568911190 1169545000 /nfs/dbraw/zinc/54/50/00/1169545000.db2.gz BUTCPRGLJITYRG-VOTSOKGWSA-N 2 0 299.418 1.252 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001569004824 1169590286 /nfs/dbraw/zinc/59/02/86/1169590286.db2.gz SEOOCWHXRCJPJN-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001569408546 1169863950 /nfs/dbraw/zinc/86/39/50/1169863950.db2.gz RCKYJHATZUPMSO-UHFFFAOYSA-N 2 0 297.362 1.305 10 30 CDEERP C#CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001570185538 1170104461 /nfs/dbraw/zinc/10/44/61/1170104461.db2.gz NGBGCAGQBIMSBY-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001570468414 1170166652 /nfs/dbraw/zinc/16/66/52/1170166652.db2.gz KVNZAIFCGFOAMH-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001571187012 1170344543 /nfs/dbraw/zinc/34/45/43/1170344543.db2.gz JZEMPUNENBQVQF-DZKIICNBSA-N 2 0 277.412 1.143 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001656650477 1171857262 /nfs/dbraw/zinc/85/72/62/1171857262.db2.gz GEMBHVXFASQJAJ-FVQBIDKESA-N 2 0 291.439 1.177 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001662219234 1172509663 /nfs/dbraw/zinc/50/96/63/1172509663.db2.gz DOJKNFMBYHYTNH-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001664818245 1172917029 /nfs/dbraw/zinc/91/70/29/1172917029.db2.gz RBMHKBRORHNMPD-UONOGXRCSA-N 2 0 267.417 1.293 10 30 CDEERP C=C(C)CC[NH+]1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001665235978 1172966369 /nfs/dbraw/zinc/96/63/69/1172966369.db2.gz YSXUEWNEOFWAQQ-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001666379393 1173130737 /nfs/dbraw/zinc/13/07/37/1173130737.db2.gz MEUVFOKQJKJHAU-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001666938328 1173210504 /nfs/dbraw/zinc/21/05/04/1173210504.db2.gz KQNVCUGVMZJOIP-LBPRGKRZSA-N 2 0 286.379 1.879 10 30 CDEERP C#CC[N@@H+](C)CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001667647582 1173303968 /nfs/dbraw/zinc/30/39/68/1173303968.db2.gz BNFXAVNDOSOJAA-UHFFFAOYSA-N 2 0 291.439 1.132 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1CCCC1 ZINC001671570155 1173689851 /nfs/dbraw/zinc/68/98/51/1173689851.db2.gz QXNYCUKTKODYBK-MRXNPFEDSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001690540558 1175490903 /nfs/dbraw/zinc/49/09/03/1175490903.db2.gz SOECFBCJMXYFTP-QQFBHYJXSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001690620838 1175526856 /nfs/dbraw/zinc/52/68/56/1175526856.db2.gz IEBGFVISWWWITR-UONOGXRCSA-N 2 0 267.417 1.224 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001690737876 1175559784 /nfs/dbraw/zinc/55/97/84/1175559784.db2.gz ACHXEQIBBBBOBL-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001691917104 1175652306 /nfs/dbraw/zinc/65/23/06/1175652306.db2.gz FTNZXCYAUYAYIZ-HRCADAONSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001698613771 1175872825 /nfs/dbraw/zinc/87/28/25/1175872825.db2.gz OAZFJIMQOKAWGJ-CQSZACIVSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001698825574 1175952370 /nfs/dbraw/zinc/95/23/70/1175952370.db2.gz SYPFJDMMICJPHE-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001698920957 1175984632 /nfs/dbraw/zinc/98/46/32/1175984632.db2.gz QQJIWHBJPSJFHF-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699207419 1176140752 /nfs/dbraw/zinc/14/07/52/1176140752.db2.gz KONYQDHFCVOSOV-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001699474065 1176433682 /nfs/dbraw/zinc/43/36/82/1176433682.db2.gz IGNUXLQQAVTYKL-ZDUSSCGKSA-N 2 0 255.406 1.339 10 30 CDEERP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001700843051 1177162505 /nfs/dbraw/zinc/16/25/05/1177162505.db2.gz BNYMXEFMNFRWGV-UONOGXRCSA-N 2 0 277.412 1.073 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001700988448 1177227818 /nfs/dbraw/zinc/22/78/18/1177227818.db2.gz QJVKKILGKSKOKQ-CABCVRRESA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001707050609 1177925357 /nfs/dbraw/zinc/92/53/57/1177925357.db2.gz KRVKLOVPUBETNK-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CCC[N@H+](C)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001707421215 1178035575 /nfs/dbraw/zinc/03/55/75/1178035575.db2.gz YGDBJOZRGWYJHK-INIZCTEOSA-N 2 0 279.428 1.487 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CCCC)CC1 ZINC001707424283 1178039139 /nfs/dbraw/zinc/03/91/39/1178039139.db2.gz VETVIKUSDHDIOV-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001707442184 1178047173 /nfs/dbraw/zinc/04/71/73/1178047173.db2.gz YECRJFJGSDGPAA-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C#CCC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713477716 1178594700 /nfs/dbraw/zinc/59/47/00/1178594700.db2.gz AQFRHMQXMMEVNW-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713530342 1178630097 /nfs/dbraw/zinc/63/00/97/1178630097.db2.gz CVCZEWWLEIFZTE-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001713704625 1178716225 /nfs/dbraw/zinc/71/62/25/1178716225.db2.gz ZFCMZJIYDIMKLX-SJORKVTESA-N 2 0 299.418 1.409 10 30 CDEERP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001713761846 1178742041 /nfs/dbraw/zinc/74/20/41/1178742041.db2.gz UFJIQGHUAUMYAD-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713896515 1178829077 /nfs/dbraw/zinc/82/90/77/1178829077.db2.gz CWMBEXUOUMPGOO-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001714016749 1178928543 /nfs/dbraw/zinc/92/85/43/1178928543.db2.gz ZLNVAPKXJFTEOE-BETUJISGSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001714018857 1178930587 /nfs/dbraw/zinc/93/05/87/1178930587.db2.gz WJAYZXXJSINFNK-HRCADAONSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001714055660 1178949756 /nfs/dbraw/zinc/94/97/56/1178949756.db2.gz FYDGPMOHZARRIW-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001714384786 1179116315 /nfs/dbraw/zinc/11/63/15/1179116315.db2.gz IRSMQTWFCDSHEH-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001714656355 1179303759 /nfs/dbraw/zinc/30/37/59/1179303759.db2.gz JXJDIJNETADIKC-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001714727037 1179361411 /nfs/dbraw/zinc/36/14/11/1179361411.db2.gz HPZVSZYNKJCOIR-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)CCC)C1 ZINC001714859111 1179422919 /nfs/dbraw/zinc/42/29/19/1179422919.db2.gz GCNPUVZCGLANJU-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001714970544 1179484285 /nfs/dbraw/zinc/48/42/85/1179484285.db2.gz NKIYPKHKVVGBSL-UHFFFAOYSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001715008027 1179506745 /nfs/dbraw/zinc/50/67/45/1179506745.db2.gz DRPFVAAUBIRVNP-HOCLYGCPSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715040475 1179523320 /nfs/dbraw/zinc/52/33/20/1179523320.db2.gz QCCVYHVCJJRUPW-INIZCTEOSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001715290165 1179612694 /nfs/dbraw/zinc/61/26/94/1179612694.db2.gz FKKOXBDHRKKUHR-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001715432680 1179667068 /nfs/dbraw/zinc/66/70/68/1179667068.db2.gz APYXCDVCQBLYAA-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001715490854 1179680442 /nfs/dbraw/zinc/68/04/42/1179680442.db2.gz CBOQTZLILZOESY-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001715798102 1179825596 /nfs/dbraw/zinc/82/55/96/1179825596.db2.gz JMZXGNXLCRDORL-AFNCTOJWSA-N 2 0 265.401 1.309 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001716042562 1180017762 /nfs/dbraw/zinc/01/77/62/1180017762.db2.gz QMZGFJHSKGRYSV-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001716067081 1180028878 /nfs/dbraw/zinc/02/88/78/1180028878.db2.gz KZSUMXJBPSXTFW-CVEARBPZSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001716145897 1180071498 /nfs/dbraw/zinc/07/14/98/1180071498.db2.gz UWUDLCVAEMZUGE-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001716404263 1180188864 /nfs/dbraw/zinc/18/88/64/1180188864.db2.gz CWTDJSJWFVEPBY-CYBMUJFWSA-N 2 0 299.378 1.551 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001716410930 1180192018 /nfs/dbraw/zinc/19/20/18/1180192018.db2.gz OTMXUYGTOPAUEN-UONOGXRCSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001716653802 1180339569 /nfs/dbraw/zinc/33/95/69/1180339569.db2.gz OUVROGWHSUOGAK-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001716795479 1180418068 /nfs/dbraw/zinc/41/80/68/1180418068.db2.gz SOTWQRUKVSPVEC-CQSZACIVSA-N 2 0 297.418 1.270 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001717374240 1180634798 /nfs/dbraw/zinc/63/47/98/1180634798.db2.gz ONJMWXZFMJVVTH-HNNXBMFYSA-N 2 0 293.455 1.520 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001717887730 1180913640 /nfs/dbraw/zinc/91/36/40/1180913640.db2.gz TWGFAZLYULPQDM-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001723193667 1181526027 /nfs/dbraw/zinc/52/60/27/1181526027.db2.gz ALQJOKOTLKDHKF-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001723610272 1181592168 /nfs/dbraw/zinc/59/21/68/1181592168.db2.gz WBYYGQRBMKLTDQ-MRXNPFEDSA-N 2 0 291.439 1.132 10 30 CDEERP C#CCC[NH+]1CCC(C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001724014639 1181630218 /nfs/dbraw/zinc/63/02/18/1181630218.db2.gz QZVCJDVNHFMWSG-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001724659949 1181717982 /nfs/dbraw/zinc/71/79/82/1181717982.db2.gz VORMIFODPAUCNT-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001724754329 1181739584 /nfs/dbraw/zinc/73/95/84/1181739584.db2.gz FBWSWFYNHFGGIO-WKILWMFISA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725010991 1181824253 /nfs/dbraw/zinc/82/42/53/1181824253.db2.gz CXXUFNUBSGLOIP-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001725146426 1181882127 /nfs/dbraw/zinc/88/21/27/1181882127.db2.gz LHSZXJCHCISBOL-UHFFFAOYSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725173395 1181903269 /nfs/dbraw/zinc/90/32/69/1181903269.db2.gz AVHYFNKYSHLMBM-HNNXBMFYSA-N 2 0 291.439 1.036 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001731663206 1182508898 /nfs/dbraw/zinc/50/88/98/1182508898.db2.gz LCWIZIUXICDMTK-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001731885486 1182651806 /nfs/dbraw/zinc/65/18/06/1182651806.db2.gz ODUJITAOFLDHFQ-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001732041037 1182735866 /nfs/dbraw/zinc/73/58/66/1182735866.db2.gz DAHHANVRJAQLAN-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCCC[NH+]1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001732117892 1182781072 /nfs/dbraw/zinc/78/10/72/1182781072.db2.gz INVCLDSRRNERMA-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001732399094 1182944959 /nfs/dbraw/zinc/94/49/59/1182944959.db2.gz TZSRXLUOWBIKJV-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001732524915 1182996172 /nfs/dbraw/zinc/99/61/72/1182996172.db2.gz OOCKTUIXQQOQER-HOCLYGCPSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[N@@H+](C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001732550718 1183004490 /nfs/dbraw/zinc/00/44/90/1183004490.db2.gz ZYVVZTZGLSDNAN-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001732571265 1183015212 /nfs/dbraw/zinc/01/52/12/1183015212.db2.gz ARANMASVYNTVRV-HUUCEWRRSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001732705964 1183094597 /nfs/dbraw/zinc/09/45/97/1183094597.db2.gz JJGQZTHCLDLNJG-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001732810407 1183133600 /nfs/dbraw/zinc/13/36/00/1183133600.db2.gz BTPHAKJATQMLED-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001733109033 1183293867 /nfs/dbraw/zinc/29/38/67/1183293867.db2.gz RUTPVZGOCZEUBE-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001733551087 1183463414 /nfs/dbraw/zinc/46/34/14/1183463414.db2.gz GODVHLLOWQFSPM-CVEARBPZSA-N 2 0 295.471 1.979 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001733899537 1183563079 /nfs/dbraw/zinc/56/30/79/1183563079.db2.gz JILPIKVBQUTOFX-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001734094330 1183655011 /nfs/dbraw/zinc/65/50/11/1183655011.db2.gz SJVTUXNPVCIOBU-HZPDHXFCSA-N 2 0 293.455 1.759 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001734451089 1183781916 /nfs/dbraw/zinc/78/19/16/1183781916.db2.gz VGPOPWOZTIMWNP-ARFHVFGLSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000876728845 1165902460 /nfs/dbraw/zinc/90/24/60/1165902460.db2.gz XSTAQHRAATVRFE-RYUDHWBXSA-N 2 0 273.808 1.257 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC)CC1 ZINC001037120392 844016490 /nfs/dbraw/zinc/01/64/90/844016490.db2.gz ILXSBXAKOSOOBU-HZPDHXFCSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[C@H](CO)C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000925697505 844549731 /nfs/dbraw/zinc/54/97/31/844549731.db2.gz ORJHFPJPVWKVOB-ZNMIVQPWSA-N 2 0 252.402 1.778 10 30 CDEERP N#CCCC[C@@H]([NH3+])C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000818551915 843075820 /nfs/dbraw/zinc/07/58/20/843075820.db2.gz UDMQULPAZVLFIP-CQSZACIVSA-N 2 0 286.379 1.446 10 30 CDEERP C=CCNC(=O)[C@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714448271 845129956 /nfs/dbraw/zinc/12/99/56/845129956.db2.gz RYJSUUKROYRLCA-LBPRGKRZSA-N 2 0 267.417 1.374 10 30 CDEERP C#CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C(C)(C)C ZINC000932465815 845559928 /nfs/dbraw/zinc/55/99/28/845559928.db2.gz MYPNREGIBDKPMG-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000876849036 845672996 /nfs/dbraw/zinc/67/29/96/845672996.db2.gz VWOMRCCHSAQJHW-ZDUSSCGKSA-N 2 0 287.835 1.824 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000877145322 846554615 /nfs/dbraw/zinc/55/46/15/846554615.db2.gz FIUUPQIMJMKMKL-VXGBXAGGSA-N 2 0 271.792 1.009 10 30 CDEERP C=CC[C@H](C)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000878247417 847951463 /nfs/dbraw/zinc/95/14/63/847951463.db2.gz XXNABJIMLGQYCS-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001502754797 1167774711 /nfs/dbraw/zinc/77/47/11/1167774711.db2.gz XEZHLARIXZPFCL-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001566631517 1168362520 /nfs/dbraw/zinc/36/25/20/1168362520.db2.gz XUTPFPRPYVNPHU-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001566774799 1168416833 /nfs/dbraw/zinc/41/68/33/1168416833.db2.gz XETGBJKKDTXROE-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001566912089 1168464671 /nfs/dbraw/zinc/46/46/71/1168464671.db2.gz BXVFASCMMOQCJJ-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001567266860 1168643783 /nfs/dbraw/zinc/64/37/83/1168643783.db2.gz QGYMPAHLLUDUIW-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)CCn1ccnc1 ZINC001567427856 1168753389 /nfs/dbraw/zinc/75/33/89/1168753389.db2.gz HIKRJDRDFUAZMT-UHFFFAOYSA-N 2 0 276.384 1.125 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266311822 894335248 /nfs/dbraw/zinc/33/52/48/894335248.db2.gz JSVBAJLZFMNZHC-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001266596867 895500323 /nfs/dbraw/zinc/50/03/23/895500323.db2.gz QIXXXBUEOBFLQB-AWEZNQCLSA-N 2 0 267.417 1.339 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001266984266 896497539 /nfs/dbraw/zinc/49/75/39/896497539.db2.gz WMACMNHDVVDWIU-CQSZACIVSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001267012145 896549127 /nfs/dbraw/zinc/54/91/27/896549127.db2.gz YJVBSZDNNKXMTJ-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267064208 896668076 /nfs/dbraw/zinc/66/80/76/896668076.db2.gz DVQCXRKPBRMDPH-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001267172715 897001200 /nfs/dbraw/zinc/00/12/00/897001200.db2.gz AMDJIVYPBOZRSV-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267174393 897007582 /nfs/dbraw/zinc/00/75/82/897007582.db2.gz XTQDJNAZVVAXPB-DZGCQCFKSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001267283130 897463170 /nfs/dbraw/zinc/46/31/70/897463170.db2.gz ILMUBGBIPSCALB-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001267420350 897880444 /nfs/dbraw/zinc/88/04/44/897880444.db2.gz ZEMITQDAQYQIHX-UHFFFAOYSA-N 2 0 273.808 1.129 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001481005172 898462971 /nfs/dbraw/zinc/46/29/71/898462971.db2.gz RBYZBDYDCWPLTE-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001567663049 1168910402 /nfs/dbraw/zinc/91/04/02/1168910402.db2.gz MCTOHYSJDLWBOD-HNNXBMFYSA-N 2 0 273.380 1.018 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267791107 899736621 /nfs/dbraw/zinc/73/66/21/899736621.db2.gz RRQBPBQYIJIENQ-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)Cn2ccnc2)C1 ZINC001267793890 899744188 /nfs/dbraw/zinc/74/41/88/899744188.db2.gz KNDUSRMSPNITSS-AWEZNQCLSA-N 2 0 276.384 1.382 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CCCC)CC1 ZINC001267831363 899832653 /nfs/dbraw/zinc/83/26/53/899832653.db2.gz QBJRBIXQODKTAP-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001481333791 900437131 /nfs/dbraw/zinc/43/71/31/900437131.db2.gz GKIRHRYODHLEEB-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567711614 1168931478 /nfs/dbraw/zinc/93/14/78/1168931478.db2.gz CZBVWSQQCUNBAL-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001268266659 901703780 /nfs/dbraw/zinc/70/37/80/901703780.db2.gz DOYXSRBLWVOYLR-HOTGVXAUSA-N 2 0 291.439 1.273 10 30 CDEERP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@H]21 ZINC001268270820 901717901 /nfs/dbraw/zinc/71/79/01/901717901.db2.gz QHBDZWUDROOPFN-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481654606 901725008 /nfs/dbraw/zinc/72/50/08/901725008.db2.gz HIEVYKJNSADMPU-CQSZACIVSA-N 2 0 291.439 1.485 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001481660266 901750426 /nfs/dbraw/zinc/75/04/26/901750426.db2.gz DWZJSTVSIRRFII-CHWSQXEVSA-N 2 0 265.401 1.093 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001481799827 902145357 /nfs/dbraw/zinc/14/53/57/902145357.db2.gz YUXKWKJMOSIDIW-NEPJUHHUSA-N 2 0 273.808 1.318 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001481826649 902184095 /nfs/dbraw/zinc/18/40/95/902184095.db2.gz SUQIVHVVXMYZJU-CQSZACIVSA-N 2 0 293.455 1.757 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001482150614 902768417 /nfs/dbraw/zinc/76/84/17/902768417.db2.gz YURNTVYNLGULFI-CQSZACIVSA-N 2 0 279.428 1.084 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001268673748 902934010 /nfs/dbraw/zinc/93/40/10/902934010.db2.gz JBNGZIFMXGQXRG-OAHLLOKOSA-N 2 0 281.444 1.923 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001269192048 903529130 /nfs/dbraw/zinc/52/91/30/903529130.db2.gz JYOPEAOTTATZLK-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001269475534 903842766 /nfs/dbraw/zinc/84/27/66/903842766.db2.gz NXHMNUQJXQATEI-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001270192620 904432372 /nfs/dbraw/zinc/43/23/72/904432372.db2.gz BGIOPZMRLJJYTN-OAHLLOKOSA-N 2 0 277.412 1.076 10 30 CDEERP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001270983581 905521773 /nfs/dbraw/zinc/52/17/73/905521773.db2.gz RHHQJEPGEGRIQW-INIZCTEOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001271100790 905648234 /nfs/dbraw/zinc/64/82/34/905648234.db2.gz IQSHHSHREWZGNG-AWEZNQCLSA-N 2 0 283.460 1.977 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001271284916 906225288 /nfs/dbraw/zinc/22/52/88/906225288.db2.gz AUWJVQFLLCKPHY-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001271292635 906230239 /nfs/dbraw/zinc/23/02/39/906230239.db2.gz CXGZBORYCDMWQI-INIZCTEOSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001271701593 906600388 /nfs/dbraw/zinc/60/03/88/906600388.db2.gz YRWOFEXIKSAMQM-CVEARBPZSA-N 2 0 293.455 1.426 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001482848091 908424896 /nfs/dbraw/zinc/42/48/96/908424896.db2.gz LFVPWCGGNGXJBW-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482931095 908500012 /nfs/dbraw/zinc/50/00/12/908500012.db2.gz XRFZNGBCFRHWIL-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483472149 911159077 /nfs/dbraw/zinc/15/90/77/911159077.db2.gz PQEQFRLQQVAYPE-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[N@H+]1CC[C@](C)(NC(=O)Cn2ccnc2C(C)C)C1 ZINC001484060483 915364090 /nfs/dbraw/zinc/36/40/90/915364090.db2.gz JOUVOLCGAAPUFO-INIZCTEOSA-N 2 0 290.411 1.773 10 30 CDEERP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001273591183 921783503 /nfs/dbraw/zinc/78/35/03/921783503.db2.gz HPNKHXHWFBBVGB-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001484378669 915695812 /nfs/dbraw/zinc/69/58/12/915695812.db2.gz ZPSSHCVWNWHIGF-KGLIPLIRSA-N 2 0 267.417 1.198 10 30 CDEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001484401817 915727490 /nfs/dbraw/zinc/72/74/90/915727490.db2.gz SZNLCPCUVUGNHI-KRWDZBQOSA-N 2 0 299.418 1.190 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001484995112 916381866 /nfs/dbraw/zinc/38/18/66/916381866.db2.gz RRDJLUZSSWHVGX-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001485091615 916491448 /nfs/dbraw/zinc/49/14/48/916491448.db2.gz CPIJKEKTXYJNJS-SSHXOBKSSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001485920144 920576947 /nfs/dbraw/zinc/57/69/47/920576947.db2.gz QXFAQNQSGPZXRT-NSHDSACASA-N 2 0 261.797 1.127 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001273097473 921970367 /nfs/dbraw/zinc/97/03/67/921970367.db2.gz CNCHDCFNXMCMQN-CQSZACIVSA-N 2 0 297.443 1.158 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001273185546 923922760 /nfs/dbraw/zinc/92/27/60/923922760.db2.gz YLYMNQLHXXDFJU-INIZCTEOSA-N 2 0 293.455 1.760 10 30 CDEERP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001489056998 926783900 /nfs/dbraw/zinc/78/39/00/926783900.db2.gz GKJOICXBYLEYET-OAGGEKHMSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001274279115 931487270 /nfs/dbraw/zinc/48/72/70/931487270.db2.gz CZNPBJVTSHXOHW-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001274279196 931487429 /nfs/dbraw/zinc/48/74/29/931487429.db2.gz DXIRLDDNCPZELQ-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001275790906 932038725 /nfs/dbraw/zinc/03/87/25/932038725.db2.gz IHRPPWIPLCKWRH-HOTGVXAUSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001275827978 932072720 /nfs/dbraw/zinc/07/27/20/932072720.db2.gz QETCCMBLZHJWQT-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001276188287 932621683 /nfs/dbraw/zinc/62/16/83/932621683.db2.gz GUQOATPZMSFJQB-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCCC1 ZINC001276237040 932672796 /nfs/dbraw/zinc/67/27/96/932672796.db2.gz DVYJVKGRGGNWFY-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCO[C@@H]1CC[N@@H+](CC2CC[NH+](CC)CC2)C1 ZINC001204961981 939809343 /nfs/dbraw/zinc/80/93/43/939809343.db2.gz YUQXKCORSQLVMV-OAHLLOKOSA-N 2 0 252.402 1.995 10 30 CDEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001277149102 942053717 /nfs/dbraw/zinc/05/37/17/942053717.db2.gz ZGCAAKXITDLKKK-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001277258996 942252511 /nfs/dbraw/zinc/25/25/11/942252511.db2.gz GLKUGUBFHGFGPS-STQMWFEESA-N 2 0 265.401 1.284 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317160858 942400326 /nfs/dbraw/zinc/40/03/26/942400326.db2.gz CDXITKRFCFFAOV-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC1 ZINC001280505192 942454572 /nfs/dbraw/zinc/45/45/72/942454572.db2.gz GNBCBMMZMLHWGT-UHFFFAOYSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001281476761 942582392 /nfs/dbraw/zinc/58/23/92/942582392.db2.gz ZJYRRWIQTVNGTA-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001282337108 942691265 /nfs/dbraw/zinc/69/12/65/942691265.db2.gz GZDKKLBLEGSHOQ-ZDUSSCGKSA-N 2 0 267.417 1.034 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001282928933 942780794 /nfs/dbraw/zinc/78/07/94/942780794.db2.gz MVKYRZNIDDODBW-HUUCEWRRSA-N 2 0 297.443 1.108 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001316623485 942806751 /nfs/dbraw/zinc/80/67/51/942806751.db2.gz HIOKBIZJTNBYKR-KFWWJZLASA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[N@H+](C)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001283309940 942873959 /nfs/dbraw/zinc/87/39/59/942873959.db2.gz CDHPDXFCSDESHS-UHFFFAOYSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001283616938 942948217 /nfs/dbraw/zinc/94/82/17/942948217.db2.gz CWVCHDLIXKLIMW-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CCC)CCC[C@@H]12 ZINC001284071021 943068762 /nfs/dbraw/zinc/06/87/62/943068762.db2.gz LBZRWACLHFZVOL-WBVHZDCISA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001284639527 943230806 /nfs/dbraw/zinc/23/08/06/943230806.db2.gz AQFZSCBYWWDHDU-QWHCGFSZSA-N 2 0 267.417 1.080 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001277915163 944004071 /nfs/dbraw/zinc/00/40/71/944004071.db2.gz WIHPOWSCGLDWSL-IHRRRGAJSA-N 2 0 267.417 1.339 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001264437569 944136723 /nfs/dbraw/zinc/13/67/23/944136723.db2.gz CWLQOARNPVOPLT-KKUMJFAQSA-N 2 0 281.444 1.633 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001265147814 944248163 /nfs/dbraw/zinc/24/81/63/944248163.db2.gz LHPFKAXDCKIZOI-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001265782419 944506614 /nfs/dbraw/zinc/50/66/14/944506614.db2.gz XQWCSCHICCHNJN-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001265931133 944579037 /nfs/dbraw/zinc/57/90/37/944579037.db2.gz YOVCHAGAMKDOQF-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001279396014 944798976 /nfs/dbraw/zinc/79/89/76/944798976.db2.gz QBQGCACYKGQAOP-HRCADAONSA-N 2 0 293.455 1.683 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001479789481 971419052 /nfs/dbraw/zinc/41/90/52/971419052.db2.gz PUIURFCIDYFRBV-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001479833346 971441804 /nfs/dbraw/zinc/44/18/04/971441804.db2.gz XVYCBQWSCFUOKI-HZPDHXFCSA-N 2 0 293.455 1.709 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CN(CC)CCO1)C(C)(C)C ZINC001279033866 948626647 /nfs/dbraw/zinc/62/66/47/948626647.db2.gz GTJPSMNQRHHKLT-UONOGXRCSA-N 2 0 297.443 1.014 10 30 CDEERP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001479986231 971526054 /nfs/dbraw/zinc/52/60/54/971526054.db2.gz GOZCMMXPBXETSV-GJZGRUSLSA-N 2 0 293.455 1.729 10 30 CDEERP C=CC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480254454 971649874 /nfs/dbraw/zinc/64/98/74/971649874.db2.gz AYMINJZZJYSFRZ-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001569121469 1169668988 /nfs/dbraw/zinc/66/89/88/1169668988.db2.gz IVRJHINTLQBKNE-GDBMZVCRSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001480711390 971846412 /nfs/dbraw/zinc/84/64/12/971846412.db2.gz ZGNXKNBLZXGXPN-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001569136008 1169681091 /nfs/dbraw/zinc/68/10/91/1169681091.db2.gz JRQQWALIIHEKOS-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001325679420 954022615 /nfs/dbraw/zinc/02/26/15/954022615.db2.gz ILFHASYAFLYKEE-JYJNAYRXSA-N 2 0 293.455 1.636 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001326305428 954311871 /nfs/dbraw/zinc/31/18/71/954311871.db2.gz UKLACDCFZHNNFE-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001326555307 954431827 /nfs/dbraw/zinc/43/18/27/954431827.db2.gz PYZAPTAZZCKEKS-BZUAXINKSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc2nccn21 ZINC001329086080 955678004 /nfs/dbraw/zinc/67/80/04/955678004.db2.gz MVRWGCHJSNQEDO-OLZOCXBDSA-N 2 0 284.363 1.454 10 30 CDEERP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001330244317 956342408 /nfs/dbraw/zinc/34/24/08/956342408.db2.gz KMOPTGIVSMZQGM-KGLIPLIRSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001330978228 956738844 /nfs/dbraw/zinc/73/88/44/956738844.db2.gz YLIDAWFZOHBLEU-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001316943239 957142080 /nfs/dbraw/zinc/14/20/80/957142080.db2.gz FACUQQHAGZFCRM-LSDHHAIUSA-N 2 0 299.434 1.823 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317116165 957282779 /nfs/dbraw/zinc/28/27/79/957282779.db2.gz WXXUSMSVUKPUHT-OKILXGFUSA-N 2 0 296.374 1.516 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001317127592 957290103 /nfs/dbraw/zinc/29/01/03/957290103.db2.gz KDLJIUVBNDBRCB-KFWWJZLASA-N 2 0 281.444 1.918 10 30 CDEERP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001317181640 957326687 /nfs/dbraw/zinc/32/66/87/957326687.db2.gz USLBYIJABUOPKL-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CCCn2ccnc2)[C@@H]1C ZINC001331943565 957352084 /nfs/dbraw/zinc/35/20/84/957352084.db2.gz JGRYORDOQWTUGL-CABCVRRESA-N 2 0 290.411 1.818 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CCC[NH+](C)C ZINC001317428587 957467335 /nfs/dbraw/zinc/46/73/35/957467335.db2.gz CTDOQLTYCYQGHT-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001317546873 957541822 /nfs/dbraw/zinc/54/18/22/957541822.db2.gz IHNNZNJMHIGNJU-AWEZNQCLSA-N 2 0 267.417 1.178 10 30 CDEERP C=CC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001317795761 957667422 /nfs/dbraw/zinc/66/74/22/957667422.db2.gz OEEDFDBWLTUDKU-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001318201443 957974440 /nfs/dbraw/zinc/97/44/40/957974440.db2.gz ODDNLWGOQYNZJN-KKUMJFAQSA-N 2 0 297.418 1.528 10 30 CDEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001333043894 958039794 /nfs/dbraw/zinc/03/97/94/958039794.db2.gz YGFJIESPOCKGMV-NRXISQOPSA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H](C[NH3+])CC(C)C)CCC[NH2+]1 ZINC001333630439 958465760 /nfs/dbraw/zinc/46/57/60/958465760.db2.gz OOZRIVKIXMKSJB-GXTWGEPZSA-N 2 0 253.390 1.174 10 30 CDEERP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319622421 958659289 /nfs/dbraw/zinc/65/92/89/958659289.db2.gz SIBURVZQUUWKBJ-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001319711180 958696264 /nfs/dbraw/zinc/69/62/64/958696264.db2.gz HBFULTAXYMBGBA-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001319714567 958698486 /nfs/dbraw/zinc/69/84/86/958698486.db2.gz OHNPHTQAWDGCOA-HUUCEWRRSA-N 2 0 291.439 1.485 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001320829939 959417984 /nfs/dbraw/zinc/41/79/84/959417984.db2.gz JLHGEOSVIXFDOA-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)C ZINC001322305585 960176339 /nfs/dbraw/zinc/17/63/39/960176339.db2.gz FMURRUDFDUCBFW-HOCLYGCPSA-N 2 0 287.407 1.359 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001495466332 972509909 /nfs/dbraw/zinc/50/99/09/972509909.db2.gz GQTYTEPSARHHRQ-SHTZXODSSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001420784695 963238045 /nfs/dbraw/zinc/23/80/45/963238045.db2.gz HKAMMVFJHHQMTK-QWHCGFSZSA-N 2 0 285.819 1.175 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC001344081523 964228745 /nfs/dbraw/zinc/22/87/45/964228745.db2.gz MAQVFTMIUYQPTM-HUUCEWRRSA-N 2 0 297.443 1.239 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001441362952 964475726 /nfs/dbraw/zinc/47/57/26/964475726.db2.gz HHEHMLVVRSUTDJ-UBHSHLNASA-N 2 0 299.846 1.565 10 30 CDEERP C[C@H](CCC#N)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460943880 969569597 /nfs/dbraw/zinc/56/95/97/969569597.db2.gz MYALDBPVINFURK-OAHLLOKOSA-N 2 0 279.428 1.991 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001495731425 972612954 /nfs/dbraw/zinc/61/29/54/972612954.db2.gz PPIYMROHOLQHFQ-IHRRRGAJSA-N 2 0 267.417 1.245 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001496366195 972901181 /nfs/dbraw/zinc/90/11/81/972901181.db2.gz ATXSVSUQJWOASA-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001496915886 973143783 /nfs/dbraw/zinc/14/37/83/973143783.db2.gz NKWMUOKEFBMVPZ-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001497991064 973601164 /nfs/dbraw/zinc/60/11/64/973601164.db2.gz SPKCOTWEGGPPNR-CQSZACIVSA-N 2 0 287.407 1.479 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001498610850 973999446 /nfs/dbraw/zinc/99/94/46/973999446.db2.gz LBIHTGNPAUPAOL-CQSZACIVSA-N 2 0 269.433 1.587 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001499897040 974328625 /nfs/dbraw/zinc/32/86/25/974328625.db2.gz RKSVWQBLMNKAEV-OWCLPIDISA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001499943974 974342171 /nfs/dbraw/zinc/34/21/71/974342171.db2.gz JHUQBCHYXGDPLD-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500253614 974410538 /nfs/dbraw/zinc/41/05/38/974410538.db2.gz IRPBEANKSXWBEH-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001501135771 974540873 /nfs/dbraw/zinc/54/08/73/974540873.db2.gz MCBIZWFDELCQNX-GJZGRUSLSA-N 2 0 281.444 1.588 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001501579150 974602703 /nfs/dbraw/zinc/60/27/03/974602703.db2.gz YQQJKNZCFNBVTK-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001501617848 974609061 /nfs/dbraw/zinc/60/90/61/974609061.db2.gz GAIQSGMDRVFNMV-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001506752021 975216902 /nfs/dbraw/zinc/21/69/02/975216902.db2.gz NBMWMCUJONPHGE-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001506859384 975237998 /nfs/dbraw/zinc/23/79/98/975237998.db2.gz UMNQLHPACPNAQA-JYJNAYRXSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]CCF)CC1 ZINC001506951554 975272036 /nfs/dbraw/zinc/27/20/36/975272036.db2.gz UNMAQKGGVDCCFD-CQSZACIVSA-N 2 0 297.418 1.176 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001507089380 975332137 /nfs/dbraw/zinc/33/21/37/975332137.db2.gz MUGFTXNNIKYGCV-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001507148228 975355185 /nfs/dbraw/zinc/35/51/85/975355185.db2.gz LPDBAPZIOWDEEJ-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001507385575 975443612 /nfs/dbraw/zinc/44/36/12/975443612.db2.gz SDZYHCRNROHHNF-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001507454361 975474461 /nfs/dbraw/zinc/47/44/61/975474461.db2.gz VMWQXAKSYFUQIM-CQSZACIVSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCCC[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001508133498 975619286 /nfs/dbraw/zinc/61/92/86/975619286.db2.gz BEPBYNRKOPPGAO-UHFFFAOYSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001398455762 975994139 /nfs/dbraw/zinc/99/41/39/975994139.db2.gz LCJIATVTTQCKQI-STQMWFEESA-N 2 0 285.819 1.175 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001407555517 976695806 /nfs/dbraw/zinc/69/58/06/976695806.db2.gz VOBMEXPUYBKVJQ-CHWSQXEVSA-N 2 0 287.835 1.517 10 30 CDEERP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001391324165 976817718 /nfs/dbraw/zinc/81/77/18/976817718.db2.gz DRBQKOUAGYQWJD-KBPBESRZSA-N 2 0 299.846 1.519 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001393029635 977679662 /nfs/dbraw/zinc/67/96/62/977679662.db2.gz AOCZWZDEXOFIOV-STQMWFEESA-N 2 0 287.835 1.660 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001674224285 1173925039 /nfs/dbraw/zinc/92/50/39/1173925039.db2.gz IWYBMOSWJOEIAQ-KKUMJFAQSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001676018420 1174174543 /nfs/dbraw/zinc/17/45/43/1174174543.db2.gz MCVBPOIZJDVOIS-ZDUSSCGKSA-N 2 0 287.835 1.709 10 30 CDEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001676461518 1174228603 /nfs/dbraw/zinc/22/86/03/1174228603.db2.gz MHRVQSMFBBCDIY-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001570720395 1170252887 /nfs/dbraw/zinc/25/28/87/1170252887.db2.gz RBGSHRRFCJAWJL-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001570863543 1170305985 /nfs/dbraw/zinc/30/59/85/1170305985.db2.gz HBMPFHFGDTWRGC-CYBMUJFWSA-N 2 0 267.417 1.339 10 30 CDEERP N#CCCN1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000601333213 342554882 /nfs/dbraw/zinc/55/48/82/342554882.db2.gz QGFMLLIKAZESOO-UHFFFAOYSA-N 2 0 284.407 1.364 10 30 CDEERP N#Cc1ccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000592470984 342698285 /nfs/dbraw/zinc/69/82/85/342698285.db2.gz RFVGUIMVEUMVIK-OWCLPIDISA-N 2 0 285.391 1.915 10 30 CDEERP C=C(Br)CN1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1CC ZINC000228600738 361917882 /nfs/dbraw/zinc/91/78/82/361917882.db2.gz MIDFWDIPCXBUQT-DCAQKATOSA-N 2 0 259.191 1.825 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000594435649 342899237 /nfs/dbraw/zinc/89/92/37/342899237.db2.gz IICHVQDRTMTVMD-ILXRZTDVSA-N 2 0 292.427 1.246 10 30 CDEERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441674 342907550 /nfs/dbraw/zinc/90/75/50/342907550.db2.gz UMANQRIGPZVIHA-ZIAGYGMSSA-N 2 0 280.416 1.388 10 30 CDEERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[C@@H]21 ZINC000594443122 342908204 /nfs/dbraw/zinc/90/82/04/342908204.db2.gz LNJVSNAHANEZBM-ILXRZTDVSA-N 2 0 292.427 1.340 10 30 CDEERP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594460111 342912204 /nfs/dbraw/zinc/91/22/04/342912204.db2.gz OBAHGKZSXDNNAD-CQSZACIVSA-N 2 0 294.443 1.730 10 30 CDEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC000594963340 342974036 /nfs/dbraw/zinc/97/40/36/342974036.db2.gz IZUYAKBDPZZIOB-HNNXBMFYSA-N 2 0 288.439 1.920 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001661182279 1172347915 /nfs/dbraw/zinc/34/79/15/1172347915.db2.gz AJXRBOLDDRQJER-HNNXBMFYSA-N 2 0 291.439 1.533 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)[C@H](CCC)[NH+](C)C)CC1 ZINC000153115981 370435844 /nfs/dbraw/zinc/43/58/44/370435844.db2.gz JRPJIQCDVJAGEU-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001661843038 1172453340 /nfs/dbraw/zinc/45/33/40/1172453340.db2.gz YTICFUHPMMKZEL-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001662630726 1172571750 /nfs/dbraw/zinc/57/17/50/1172571750.db2.gz MZBSETGAFGVICN-HRCADAONSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001662861549 1172605665 /nfs/dbraw/zinc/60/56/65/1172605665.db2.gz BJBVGIACICYWAN-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001663422584 1172692298 /nfs/dbraw/zinc/69/22/98/1172692298.db2.gz JUYXSZVSSXSKGU-INIZCTEOSA-N 2 0 299.434 1.823 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647799579 391661733 /nfs/dbraw/zinc/66/17/33/391661733.db2.gz LERVVMWPKUZCRR-AHDPXTMNSA-N 2 0 250.386 1.555 10 30 CDEERP COc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1C#N ZINC000423121406 392958427 /nfs/dbraw/zinc/95/84/27/392958427.db2.gz IQYKECTUKZIFBW-TUKIKUTGSA-N 2 0 289.379 1.409 10 30 CDEERP C=CC[C@@]1(C(=O)NCCCC[NH+](CC)CC)CCC[NH2+]1 ZINC000662682919 413306116 /nfs/dbraw/zinc/30/61/16/413306116.db2.gz LVUDSIFBIXKPEB-INIZCTEOSA-N 2 0 281.444 1.923 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001665681402 1173035980 /nfs/dbraw/zinc/03/59/80/1173035980.db2.gz FEKUOFSVYGENQE-HUUCEWRRSA-N 2 0 281.444 1.681 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCC[NH2+]1 ZINC000662786246 413494795 /nfs/dbraw/zinc/49/47/95/413494795.db2.gz VKIWCOJJOJIPIU-ZMSDIMECSA-N 2 0 291.439 1.533 10 30 CDEERP CC(C)(C)[NH+]1CCN(Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043689017 175095389 /nfs/dbraw/zinc/09/53/89/175095389.db2.gz YHBNZGWIBOLZNP-UHFFFAOYSA-N 2 0 291.464 1.974 10 30 CDEERP C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000044518010 175190782 /nfs/dbraw/zinc/19/07/82/175190782.db2.gz FGKYTGLWPPXGDD-INIZCTEOSA-N 2 0 273.380 1.523 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001666115353 1173112178 /nfs/dbraw/zinc/11/21/78/1173112178.db2.gz NEXOLBMLZORCAP-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001666318294 1173125654 /nfs/dbraw/zinc/12/56/54/1173125654.db2.gz BGWDCYWDEFGUOR-KKUMJFAQSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)CCC[NH2+]1 ZINC000662748699 424400452 /nfs/dbraw/zinc/40/04/52/424400452.db2.gz ZMYQVKZSMKQBBO-NVXWUHKLSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001667306251 1173251479 /nfs/dbraw/zinc/25/14/79/1173251479.db2.gz AWTOFMWAAIDJQI-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668066834 1173364334 /nfs/dbraw/zinc/36/43/34/1173364334.db2.gz ZHDZFIILIINGHD-BFHYXJOUSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001672990736 1173815848 /nfs/dbraw/zinc/81/58/48/1173815848.db2.gz HQFHFPCGRWHBRV-JYJNAYRXSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001673982221 1173903937 /nfs/dbraw/zinc/90/39/37/1173903937.db2.gz QBJOZUBYQLRQLW-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171907753 329081944 /nfs/dbraw/zinc/08/19/44/329081944.db2.gz XDPXEHJPNPFVIX-OAHLLOKOSA-N 2 0 292.427 1.126 10 30 CDEERP C[C@@H]1CN(C(=[NH2+])NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC000262496799 330017861 /nfs/dbraw/zinc/01/78/61/330017861.db2.gz WUVVWQUHHFLSHN-UONOGXRCSA-N 2 0 296.459 1.532 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001267284826 1159237998 /nfs/dbraw/zinc/23/79/98/1159237998.db2.gz TUHMIPBTFQRUQC-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001731270768 1159287347 /nfs/dbraw/zinc/28/73/47/1159287347.db2.gz ZMNRRNMEURTYTC-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496208824 1159408834 /nfs/dbraw/zinc/40/88/34/1159408834.db2.gz YWVWDBAUTZNLAJ-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)[C@@H](CO)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000679537183 483381006 /nfs/dbraw/zinc/38/10/06/483381006.db2.gz GGKINBQUPQWVQA-QGZVFWFLSA-N 2 0 296.455 1.748 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001482969155 1160652849 /nfs/dbraw/zinc/65/28/49/1160652849.db2.gz BDFCPAKOADVPHE-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP COC[C@@H](C)[N@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049609579 522216391 /nfs/dbraw/zinc/21/63/91/522216391.db2.gz AOLUQJQLTCEGNY-CQSZACIVSA-N 2 0 276.380 1.342 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001723376976 1181544093 /nfs/dbraw/zinc/54/40/93/1181544093.db2.gz IUQCHGNEBMCOAI-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001731277793 1182290517 /nfs/dbraw/zinc/29/05/17/1182290517.db2.gz KIIXJYXFTRGURI-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP CC[N@H+](Cc1ccc(OC)c(C#CC[NH3+])c1)C1CC1 ZINC000049608877 521323103 /nfs/dbraw/zinc/32/31/03/521323103.db2.gz YBAIXBLGGSSSHV-UHFFFAOYSA-N 2 0 258.365 1.990 10 30 CDEERP C[N@@H+](Cc1cc(C#CC[NH3+])cs1)CC1CC[NH+](C)CC1 ZINC000063121445 523166934 /nfs/dbraw/zinc/16/69/34/523166934.db2.gz ONNOBTHEMIUISF-UHFFFAOYSA-N 3 0 291.464 1.832 10 30 CDEERP COc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1C#CC[NH3+] ZINC000049608327 524028250 /nfs/dbraw/zinc/02/82/50/524028250.db2.gz UZKHLRNPXLFQAQ-OAHLLOKOSA-N 2 0 288.391 1.210 10 30 CDEERP C=C(C)C[N@H+](CC)CCCNC(=O)C[NH+]1CCCC1 ZINC001689969755 1175325301 /nfs/dbraw/zinc/32/53/01/1175325301.db2.gz QIOPFZRDFHDONO-UHFFFAOYSA-N 2 0 267.417 1.487 10 30 CDEERP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941032274 613259694 /nfs/dbraw/zinc/25/96/94/613259694.db2.gz GWWNSBTYONPDSZ-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941214980 613579137 /nfs/dbraw/zinc/57/91/37/613579137.db2.gz IHRGQGAOJJBKLZ-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1C#N ZINC000925836739 617865790 /nfs/dbraw/zinc/86/57/90/617865790.db2.gz CLEJIFDKIUAVNJ-DAXOMENPSA-N 2 0 273.380 1.709 10 30 CDEERP C=C(C)C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926865298 617917707 /nfs/dbraw/zinc/91/77/07/617917707.db2.gz RLPDSHNIVKDDRL-VIYLOZMYSA-N 2 0 282.428 1.545 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000900823064 623528095 /nfs/dbraw/zinc/52/80/95/623528095.db2.gz SIOJMCDXMIPSTJ-LSDHHAIUSA-N 2 0 281.444 1.683 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000900832701 623548051 /nfs/dbraw/zinc/54/80/51/623548051.db2.gz UUOXCHOPCSLCJX-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000900852640 623568733 /nfs/dbraw/zinc/56/87/33/623568733.db2.gz JMFSNINGFBMUCM-MRXNPFEDSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCN1CC[C@@H]([NH+]2CCC(C(C)(C)C[NH3+])CC2)C1=O ZINC000903791094 626088929 /nfs/dbraw/zinc/08/89/29/626088929.db2.gz MGXTZXZKOFKPPU-CQSZACIVSA-N 2 0 279.428 1.470 10 30 CDEERP COCC[N@@H+]1CCC[C@@H]1CNC(NC(C)(C)C)=[NH+]C1CC1 ZINC000912507073 630047918 /nfs/dbraw/zinc/04/79/18/630047918.db2.gz UQDAJDBIJZARQY-CQSZACIVSA-N 2 0 296.459 1.593 10 30 CDEERP C[NH+](C)C1CCN(CC[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921817328 633316859 /nfs/dbraw/zinc/31/68/59/633316859.db2.gz SHKCHSNZXQRBGH-UHFFFAOYSA-N 2 0 292.452 1.735 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001772519139 1158568408 /nfs/dbraw/zinc/56/84/08/1158568408.db2.gz QIDPKNSMTOQBJH-ZDUSSCGKSA-N 2 0 291.395 1.463 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC001616834360 1165578165 /nfs/dbraw/zinc/57/81/65/1165578165.db2.gz DRFMYODXSTVSBV-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC001617772944 1165607804 /nfs/dbraw/zinc/60/78/04/1165607804.db2.gz QVJLPHXDZDRFET-UHFFFAOYSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001635962583 1166636761 /nfs/dbraw/zinc/63/67/61/1166636761.db2.gz GQZYTLSRJPIPGX-CQSZACIVSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001636931699 1166709732 /nfs/dbraw/zinc/70/97/32/1166709732.db2.gz IRHJLWVTAQFIFS-UHFFFAOYSA-N 2 0 279.428 1.581 10 30 CDEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001565972024 1168207058 /nfs/dbraw/zinc/20/70/58/1168207058.db2.gz WPQAJFWWEQZQHP-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001567141065 1168593775 /nfs/dbraw/zinc/59/37/75/1168593775.db2.gz UQZPOWHJFXWLLB-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001569268830 1169742218 /nfs/dbraw/zinc/74/22/18/1169742218.db2.gz KKPOIWZDURBJNQ-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001570897003 1170313550 /nfs/dbraw/zinc/31/35/50/1170313550.db2.gz LXMYYUPKNALLSS-AWEZNQCLSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001571322342 1170365115 /nfs/dbraw/zinc/36/51/15/1170365115.db2.gz ODLXXNIKEWTIKB-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+]CC1CC[NH+](CC)CC1 ZINC001652698996 1171466689 /nfs/dbraw/zinc/46/66/89/1171466689.db2.gz IFRZDZMECNBPIV-GJZGRUSLSA-N 2 0 252.402 1.899 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001656109366 1171770433 /nfs/dbraw/zinc/77/04/33/1171770433.db2.gz JFYVYYKKGYZHAT-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001662971051 1172622002 /nfs/dbraw/zinc/62/20/02/1172622002.db2.gz POGXFGNDFHYNRH-ZIAGYGMSSA-N 2 0 267.417 1.080 10 30 CDEERP C=CCC[N@H+]1CC[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001664734321 1172900793 /nfs/dbraw/zinc/90/07/93/1172900793.db2.gz FAIUVAIGURSCTQ-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001665328599 1172981131 /nfs/dbraw/zinc/98/11/31/1172981131.db2.gz OBRFUOZHLKSQDF-CQSZACIVSA-N 2 0 267.417 1.197 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001667216719 1173246654 /nfs/dbraw/zinc/24/66/54/1173246654.db2.gz KFBCIKILBXOCMU-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001669966884 1173637898 /nfs/dbraw/zinc/63/78/98/1173637898.db2.gz DXCTWTCUANVGHY-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001676256076 1174196059 /nfs/dbraw/zinc/19/60/59/1174196059.db2.gz MFYDWBCRTLQKCX-INIZCTEOSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001598013839 1174301629 /nfs/dbraw/zinc/30/16/29/1174301629.db2.gz JKZYFRURJMAGPK-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001690501092 1175482809 /nfs/dbraw/zinc/48/28/09/1175482809.db2.gz GVLQEMBQHMDVLX-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001690737879 1175560520 /nfs/dbraw/zinc/56/05/20/1175560520.db2.gz ACHXEQIBBBBOBL-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CC2CC2)CC1 ZINC001698773588 1175926755 /nfs/dbraw/zinc/92/67/55/1175926755.db2.gz ADMAALWOJSBKOB-AWEZNQCLSA-N 2 0 291.439 1.084 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)C1(C[NH+](C)C)CC1 ZINC001699295753 1176202722 /nfs/dbraw/zinc/20/27/22/1176202722.db2.gz IKISSCQEWHFVPO-WAYWQWQTSA-N 2 0 265.401 1.166 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001699335552 1176255698 /nfs/dbraw/zinc/25/56/98/1176255698.db2.gz KDRSYPUZTFUZPA-ONEGZZNKSA-N 2 0 277.412 1.310 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001699450913 1176413592 /nfs/dbraw/zinc/41/35/92/1176413592.db2.gz NLHDZXCCDGUWRI-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001699642543 1176541288 /nfs/dbraw/zinc/54/12/88/1176541288.db2.gz NODNDIZFXBTUTG-OAHLLOKOSA-N 2 0 277.412 1.076 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001699738356 1176596855 /nfs/dbraw/zinc/59/68/55/1176596855.db2.gz KYSAMSFVNGONTP-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCC1 ZINC001700157216 1176775355 /nfs/dbraw/zinc/77/53/55/1176775355.db2.gz QXXFCHPUBHGNNG-GJZGRUSLSA-N 2 0 291.439 1.818 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001700286604 1176833477 /nfs/dbraw/zinc/83/34/77/1176833477.db2.gz WNVRJLRQNTUEIQ-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001700556342 1177012751 /nfs/dbraw/zinc/01/27/51/1177012751.db2.gz YEMIQZCCYCETHO-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)C ZINC001700711435 1177086557 /nfs/dbraw/zinc/08/65/57/1177086557.db2.gz GFXYCVPRWPPEHB-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001700888964 1177179104 /nfs/dbraw/zinc/17/91/04/1177179104.db2.gz RUYJZPASHCZLDB-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001707046647 1177924742 /nfs/dbraw/zinc/92/47/42/1177924742.db2.gz JMMGCCMMRBGKJK-HNNXBMFYSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001707056264 1177930230 /nfs/dbraw/zinc/93/02/30/1177930230.db2.gz WNAKUBYJMSBNLT-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001707089878 1177949616 /nfs/dbraw/zinc/94/96/16/1177949616.db2.gz HXEXYORGSSNPMA-KKUMJFAQSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001707137972 1177957451 /nfs/dbraw/zinc/95/74/51/1177957451.db2.gz GDRBPMDHGPBKJP-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001713064959 1178343591 /nfs/dbraw/zinc/34/35/91/1178343591.db2.gz BGDBQADURBNBAR-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001713181942 1178414851 /nfs/dbraw/zinc/41/48/51/1178414851.db2.gz LHWWMYATULIMMT-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001713200332 1178428219 /nfs/dbraw/zinc/42/82/19/1178428219.db2.gz HVWHKYKSIPLJJF-OKILXGFUSA-N 2 0 265.401 1.141 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001713220421 1178437901 /nfs/dbraw/zinc/43/79/01/1178437901.db2.gz KVUDCCLRXVTUEK-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001713414727 1178547484 /nfs/dbraw/zinc/54/74/84/1178547484.db2.gz KTHFOSOIAUGOMU-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001713422618 1178553165 /nfs/dbraw/zinc/55/31/65/1178553165.db2.gz UCWIBWRKQIDOPH-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001713558391 1178645562 /nfs/dbraw/zinc/64/55/62/1178645562.db2.gz ILGPMZQICZISET-CVEARBPZSA-N 2 0 291.439 1.770 10 30 CDEERP C#CCC[N@H+]1CC[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713735189 1178728977 /nfs/dbraw/zinc/72/89/77/1178728977.db2.gz OZDLHEAETHTHLS-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713751525 1178737439 /nfs/dbraw/zinc/73/74/39/1178737439.db2.gz WYZQILQVLGCMGM-HOTGVXAUSA-N 2 0 295.471 1.929 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC001713941380 1178869723 /nfs/dbraw/zinc/86/97/23/1178869723.db2.gz GDYUMFMXYNZYHA-GJZGRUSLSA-N 2 0 279.428 1.578 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714040618 1178942197 /nfs/dbraw/zinc/94/21/97/1178942197.db2.gz AIWWQADWLDYVAQ-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1ccnc1 ZINC001714114862 1178978869 /nfs/dbraw/zinc/97/88/69/1178978869.db2.gz ODBDWFVJFWRCAZ-CABCVRRESA-N 2 0 290.411 1.991 10 30 CDEERP C#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001714157569 1178994958 /nfs/dbraw/zinc/99/49/58/1178994958.db2.gz SZZAPJGXUMSVMG-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001714367464 1179107641 /nfs/dbraw/zinc/10/76/41/1179107641.db2.gz OQTPMYKNKAAJBY-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCC1 ZINC001714502757 1179173884 /nfs/dbraw/zinc/17/38/84/1179173884.db2.gz ZPUYNKUTLMQABO-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001714618393 1179270979 /nfs/dbraw/zinc/27/09/79/1179270979.db2.gz LTZQZBCRBFRKKD-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)CCC[NH+](C)C)C1 ZINC001714870091 1179430172 /nfs/dbraw/zinc/43/01/72/1179430172.db2.gz NJCSPISRZMWFHI-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001715066793 1179536831 /nfs/dbraw/zinc/53/68/31/1179536831.db2.gz YCOIZTVVZDSPHM-GOEBONIOSA-N 2 0 291.439 1.511 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCC1 ZINC001715311117 1179618037 /nfs/dbraw/zinc/61/80/37/1179618037.db2.gz KSJUDISFUZRQNP-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001715346257 1179636386 /nfs/dbraw/zinc/63/63/86/1179636386.db2.gz NELMTMOBMXBWBP-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001715572858 1179721341 /nfs/dbraw/zinc/72/13/41/1179721341.db2.gz VCLOXSXRPRQTLD-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001716366453 1180170809 /nfs/dbraw/zinc/17/08/09/1180170809.db2.gz BRHCMFJNGBKCEN-ITDFMYJTSA-N 2 0 285.819 1.343 10 30 CDEERP C=CCCC[NH+]1CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001716668122 1180353930 /nfs/dbraw/zinc/35/39/30/1180353930.db2.gz OAYGPPRWPROOKJ-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001716777415 1180411204 /nfs/dbraw/zinc/41/12/04/1180411204.db2.gz LBGYUJZWCRGBGC-GJZGRUSLSA-N 2 0 277.412 1.073 10 30 CDEERP C=CC[NH+]1CC[C@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001716849018 1180438142 /nfs/dbraw/zinc/43/81/42/1180438142.db2.gz PMRBWQMRVUSBPF-ZFWWWQNUSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001717500303 1180713099 /nfs/dbraw/zinc/71/30/99/1180713099.db2.gz QYQWHUXEHYFUQZ-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001717530137 1180723835 /nfs/dbraw/zinc/72/38/35/1180723835.db2.gz IULWLGMMADAVCS-HZPDHXFCSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001717585576 1180750548 /nfs/dbraw/zinc/75/05/48/1180750548.db2.gz UBTWBJURTZDTIJ-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001717661079 1180782138 /nfs/dbraw/zinc/78/21/38/1180782138.db2.gz IHAXBQHUBYQYBC-OLZOCXBDSA-N 2 0 287.835 1.708 10 30 CDEERP C=CC[NH2+]CCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001717672387 1180785764 /nfs/dbraw/zinc/78/57/64/1180785764.db2.gz BYAYYYFUEKWQQZ-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001717884080 1180912675 /nfs/dbraw/zinc/91/26/75/1180912675.db2.gz HAFNLUGAWIZPQC-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001717886988 1180913575 /nfs/dbraw/zinc/91/35/75/1180913575.db2.gz KAHBAIYETGXGFY-HOTGVXAUSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001717888182 1180913991 /nfs/dbraw/zinc/91/39/91/1180913991.db2.gz ZKXLAEBHVBUQMV-LSDHHAIUSA-N 2 0 290.411 1.724 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001722917217 1181493845 /nfs/dbraw/zinc/49/38/45/1181493845.db2.gz RJUCGWGEWJKMBV-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001724890720 1181788069 /nfs/dbraw/zinc/78/80/69/1181788069.db2.gz QVNUSPZLBUKVIS-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001724969381 1181812156 /nfs/dbraw/zinc/81/21/56/1181812156.db2.gz HRYMGBCRHAJBFR-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725475919 1182013785 /nfs/dbraw/zinc/01/37/85/1182013785.db2.gz PDRXBFDWCARBPW-CVEARBPZSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001725475903 1182014095 /nfs/dbraw/zinc/01/40/95/1182014095.db2.gz WPOLSZAWTTVJFV-AWEZNQCLSA-N 2 0 267.417 1.339 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725487301 1182020659 /nfs/dbraw/zinc/02/06/59/1182020659.db2.gz BRLOWQPZPPOAER-UKRRQHHQSA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001731263770 1182280906 /nfs/dbraw/zinc/28/09/06/1182280906.db2.gz ZJQNKTCRKMJROR-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001731569264 1182452498 /nfs/dbraw/zinc/45/24/98/1182452498.db2.gz WLCKSDVYWMWBDW-UHFFFAOYSA-N 2 0 279.428 1.674 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001731659783 1182506822 /nfs/dbraw/zinc/50/68/22/1182506822.db2.gz IKEZSWDCZDLBSI-GJZGRUSLSA-N 2 0 299.434 1.681 10 30 CDEERP C=CCC[N@H+](CCC)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001731873285 1182641525 /nfs/dbraw/zinc/64/15/25/1182641525.db2.gz BHOTWKDIDQKFQJ-KRWDZBQOSA-N 2 0 293.455 1.877 10 30 CDEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001732003782 1182719879 /nfs/dbraw/zinc/71/98/79/1182719879.db2.gz IBENSWSZMFQLNL-HNNXBMFYSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001732070084 1182751531 /nfs/dbraw/zinc/75/15/31/1182751531.db2.gz BCYKZZBWWXTCGB-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001732176575 1182832330 /nfs/dbraw/zinc/83/23/30/1182832330.db2.gz VHNSUSXDBMASDG-INIZCTEOSA-N 2 0 291.439 1.418 10 30 CDEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001732252278 1182884425 /nfs/dbraw/zinc/88/44/25/1182884425.db2.gz FUUHWKPQABMCAQ-MRXNPFEDSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001732612944 1183048262 /nfs/dbraw/zinc/04/82/62/1183048262.db2.gz LHFBXKIZLACPTA-ZBFHGGJFSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CC(C)C)CC1 ZINC001733067860 1183275621 /nfs/dbraw/zinc/27/56/21/1183275621.db2.gz RSTWQCVCPQGRKS-HNNXBMFYSA-N 2 0 293.455 1.424 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001733098630 1183290189 /nfs/dbraw/zinc/29/01/89/1183290189.db2.gz FEWRNZHSGDXTIY-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001733222327 1183348620 /nfs/dbraw/zinc/34/86/20/1183348620.db2.gz AGENVLXWVPWTQQ-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001733540363 1183459606 /nfs/dbraw/zinc/45/96/06/1183459606.db2.gz UYOTUEVEIXRLNA-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001733727167 1183509949 /nfs/dbraw/zinc/50/99/49/1183509949.db2.gz YHIJEZFCXUBQSH-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001733850504 1183548919 /nfs/dbraw/zinc/54/89/19/1183548919.db2.gz SECHRWJWBIXEHE-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001733867375 1183554769 /nfs/dbraw/zinc/55/47/69/1183554769.db2.gz IEWBBDXMPLUKSL-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001734307596 1183722389 /nfs/dbraw/zinc/72/23/89/1183722389.db2.gz CGKNKKYFSZKXNO-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001734594607 1183838417 /nfs/dbraw/zinc/83/84/17/1183838417.db2.gz QNZXJFZRBTZXAE-UHFFFAOYSA-N 2 0 279.428 1.626 10 30 CDEERP CC#CC[N@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001734628230 1183853279 /nfs/dbraw/zinc/85/32/79/1183853279.db2.gz MXLCVDPCZIMJNZ-UHFFFAOYSA-N 2 0 289.423 1.242 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000854498747 697774242 /nfs/dbraw/zinc/77/42/42/697774242.db2.gz VYVVTNBRMJWJAQ-UHFFFAOYSA-N 2 0 265.401 1.049 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000876536436 697939052 /nfs/dbraw/zinc/93/90/52/697939052.db2.gz ZCUKEZFEKWSUGX-VWYCJHECSA-N 2 0 259.781 1.090 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000876971220 698091032 /nfs/dbraw/zinc/09/10/32/698091032.db2.gz DCCMXRHDYFQJHV-KGYLQXTDSA-N 2 0 287.835 1.822 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000876755856 698099568 /nfs/dbraw/zinc/09/95/68/698099568.db2.gz XYLBHTZPVPJUHS-VXGBXAGGSA-N 2 0 271.792 1.151 10 30 CDEERP C[C@@H](C[NH2+]Cc1csc(C#N)c1)CN1CC[NH+](C)CC1 ZINC000921686891 698205078 /nfs/dbraw/zinc/20/50/78/698205078.db2.gz YTNNAFUWJCSHQI-ZDUSSCGKSA-N 2 0 292.452 1.593 10 30 CDEERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000870989102 698355140 /nfs/dbraw/zinc/35/51/40/698355140.db2.gz FDXOJNMTPSJZSP-CZUORRHYSA-N 2 0 294.443 1.621 10 30 CDEERP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702569 705068337 /nfs/dbraw/zinc/06/83/37/705068337.db2.gz CPCDJTXTONODJA-DOMZBBRYSA-N 2 0 267.417 1.374 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H](C)C2CC[NH2+]CC2)CCC[NH2+]1 ZINC000877253891 1166004346 /nfs/dbraw/zinc/00/43/46/1166004346.db2.gz IMDIYZZZKAXSQY-DOMZBBRYSA-N 2 0 265.401 1.189 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001263275045 1167442237 /nfs/dbraw/zinc/44/22/37/1167442237.db2.gz UESFOAOYEHSZDR-QWRGUYRKSA-N 2 0 259.781 1.057 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000876728843 848140699 /nfs/dbraw/zinc/14/06/99/848140699.db2.gz XSTAQHRAATVRFE-NEPJUHHUSA-N 2 0 273.808 1.257 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cl)cn1 ZINC000305778623 848236597 /nfs/dbraw/zinc/23/65/97/848236597.db2.gz QWYUOIVVPZMEQZ-ZDUSSCGKSA-N 2 0 295.818 1.624 10 30 CDEERP C[NH+](C)CC1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852883955 849178210 /nfs/dbraw/zinc/17/82/10/849178210.db2.gz QPURQGNVNCOYGM-UHFFFAOYSA-N 2 0 291.439 1.226 10 30 CDEERP C[NH+]=C(NCC(C)(C)OC)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261952778 849331117 /nfs/dbraw/zinc/33/11/17/849331117.db2.gz HVXQMFOCLUZEAB-QWHCGFSZSA-N 2 0 284.448 1.305 10 30 CDEERP C=CC[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000625702361 849491238 /nfs/dbraw/zinc/49/12/38/849491238.db2.gz XVJZYJSPSLAQDN-OAHLLOKOSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000876707876 849675154 /nfs/dbraw/zinc/67/51/54/849675154.db2.gz DGMZUFVKBRKDTL-MNOVXSKESA-N 2 0 259.781 1.057 10 30 CDEERP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)CC(C)C ZINC000066243267 849994008 /nfs/dbraw/zinc/99/40/08/849994008.db2.gz NNLUNJQBBVAJRV-CABCVRRESA-N 2 0 298.475 1.826 10 30 CDEERP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303975545 850478513 /nfs/dbraw/zinc/47/85/13/850478513.db2.gz JEOZPLBHXDUIJP-UONOGXRCSA-N 2 0 282.432 1.144 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567914162 1168072670 /nfs/dbraw/zinc/07/26/70/1168072670.db2.gz AADZTNNCRAUCOM-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001566516718 1168318071 /nfs/dbraw/zinc/31/80/71/1168318071.db2.gz VUSNEVFEZUGVRP-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001567188292 1168610983 /nfs/dbraw/zinc/61/09/83/1168610983.db2.gz KQCRQNODNSNECG-CABCVRRESA-N 2 0 277.412 1.027 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001567336282 1168689585 /nfs/dbraw/zinc/68/95/85/1168689585.db2.gz VDIOWYTUWWGWRT-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001266246286 893907488 /nfs/dbraw/zinc/90/74/88/893907488.db2.gz NERFZPWTNIEJMG-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)C1CC1 ZINC001266433696 894850204 /nfs/dbraw/zinc/85/02/04/894850204.db2.gz JHKGBIVBDARMHE-SWLSCSKDSA-N 2 0 288.395 1.096 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266730058 895929470 /nfs/dbraw/zinc/92/94/70/895929470.db2.gz JWJSGVBBQSXFLX-TUVASFSCSA-N 2 0 279.428 1.530 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001267025086 896588709 /nfs/dbraw/zinc/58/87/09/896588709.db2.gz HYBJTOBGYJVHHS-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267152510 896933847 /nfs/dbraw/zinc/93/38/47/896933847.db2.gz OCDMKTWIFIHCRZ-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001480920426 896939039 /nfs/dbraw/zinc/93/90/39/896939039.db2.gz PDTUUIURQKMOMQ-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001267317026 897573795 /nfs/dbraw/zinc/57/37/95/897573795.db2.gz LVHDMWYRZGMYFG-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001272617521 914184903 /nfs/dbraw/zinc/18/49/03/914184903.db2.gz WJUYYRCLWBQICT-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001272617522 914185443 /nfs/dbraw/zinc/18/54/43/914185443.db2.gz WJUYYRCLWBQICT-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001481044709 898679724 /nfs/dbraw/zinc/67/97/24/898679724.db2.gz SDGHYEHLWDFJHE-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001567630326 1168897646 /nfs/dbraw/zinc/89/76/46/1168897646.db2.gz OVHQZDLQZJHISV-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001267985280 900192942 /nfs/dbraw/zinc/19/29/42/900192942.db2.gz DKSDFLLDISBNMA-SOUVJXGZSA-N 2 0 281.444 1.635 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001268032958 900660097 /nfs/dbraw/zinc/66/00/97/900660097.db2.gz FXWZGESVLTVQGM-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP CC#CC[NH+](C)CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001481520652 901048806 /nfs/dbraw/zinc/04/88/06/901048806.db2.gz YSNIMLFTJCZPMA-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1ccnc1C ZINC001268099938 901287108 /nfs/dbraw/zinc/28/71/08/901287108.db2.gz JEYXOMZVYQTEMH-UONOGXRCSA-N 2 0 292.427 1.983 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001268500581 902411393 /nfs/dbraw/zinc/41/13/93/902411393.db2.gz XJZWKLTUSZPKEH-GASCZTMLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001268547973 902545873 /nfs/dbraw/zinc/54/58/73/902545873.db2.gz IZRDWGZQXZQPSQ-ZRUQZJFASA-N 2 0 299.846 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001482148876 902768224 /nfs/dbraw/zinc/76/82/24/902768224.db2.gz OCYSLXAOPHTRPN-AWEZNQCLSA-N 2 0 281.444 1.636 10 30 CDEERP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268625664 902838897 /nfs/dbraw/zinc/83/88/97/902838897.db2.gz IUTHTWPTJMFDCQ-BEWKBBBFSA-N 2 0 279.428 1.555 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268657724 902909210 /nfs/dbraw/zinc/90/92/10/902909210.db2.gz GUCYGJOEQRUAEC-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001482235504 904002691 /nfs/dbraw/zinc/00/26/91/904002691.db2.gz IDSMBXUUXNYYEF-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269790721 904117965 /nfs/dbraw/zinc/11/79/65/904117965.db2.gz KBPIZBSOFHBKIO-JKSUJKDBSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)CC[NH+]1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001269866574 904170094 /nfs/dbraw/zinc/17/00/94/904170094.db2.gz JLFYNQIJDOJYBN-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482367351 905209485 /nfs/dbraw/zinc/20/94/85/905209485.db2.gz GOAIDPJOUTUHMF-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001567861046 1169024961 /nfs/dbraw/zinc/02/49/61/1169024961.db2.gz HPBSZHPICNTNIU-GJZGRUSLSA-N 2 0 291.439 1.580 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001505456023 906996487 /nfs/dbraw/zinc/99/64/87/906996487.db2.gz NBPTVIWMQWJPFP-JKSUJKDBSA-N 2 0 293.455 1.519 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483339968 910926946 /nfs/dbraw/zinc/92/69/46/910926946.db2.gz VXEUUERJNMWQSH-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001483549548 911234446 /nfs/dbraw/zinc/23/44/46/911234446.db2.gz ITCHXDWOUBFQSO-KBPBESRZSA-N 2 0 265.401 1.141 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001483584282 911293457 /nfs/dbraw/zinc/29/34/57/911293457.db2.gz WLNDLXMQWQFLTC-HZPDHXFCSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001483794164 915074895 /nfs/dbraw/zinc/07/48/95/915074895.db2.gz PWKIEUFBGBPOKW-ZIAGYGMSSA-N 2 0 279.428 1.674 10 30 CDEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](C(C)C)CC1 ZINC001483987689 915265628 /nfs/dbraw/zinc/26/56/28/915265628.db2.gz ZWXMPODEVAAKTC-INIZCTEOSA-N 2 0 293.455 1.661 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001484615717 915951564 /nfs/dbraw/zinc/95/15/64/915951564.db2.gz DIBRWKQAFXTVMR-CABCVRRESA-N 2 0 299.434 1.823 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485343553 916858302 /nfs/dbraw/zinc/85/83/02/916858302.db2.gz GSYGKVKCDJFXQR-IHRRRGAJSA-N 2 0 267.417 1.339 10 30 CDEERP C=CCCC[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485373762 916907902 /nfs/dbraw/zinc/90/79/02/916907902.db2.gz WHTHUPAWQQEMPG-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485739287 917232922 /nfs/dbraw/zinc/23/29/22/917232922.db2.gz PJZBOQAVLGRYPE-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001485825719 918766683 /nfs/dbraw/zinc/76/66/83/918766683.db2.gz GRJGMIMWXSYCTR-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001272837889 919894884 /nfs/dbraw/zinc/89/48/84/919894884.db2.gz MXCQKLXFCVEDNM-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272866136 919926310 /nfs/dbraw/zinc/92/63/10/919926310.db2.gz RUPGCAQVKKUJTH-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001485837560 920086202 /nfs/dbraw/zinc/08/62/02/920086202.db2.gz PVKWDCXFXIZODK-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001486209918 920822034 /nfs/dbraw/zinc/82/20/34/920822034.db2.gz FEWYWLGELVTGAL-QWHCGFSZSA-N 2 0 287.835 1.565 10 30 CDEERP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001489312214 926882776 /nfs/dbraw/zinc/88/27/76/926882776.db2.gz VSWQZBGGSBRVQI-CABCVRRESA-N 2 0 297.443 1.108 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001490216361 927032353 /nfs/dbraw/zinc/03/23/53/927032353.db2.gz ORXSXSFAAKOARJ-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CCC)CC1 ZINC001135627371 930300557 /nfs/dbraw/zinc/30/05/57/930300557.db2.gz QCQOXIGWERYWPF-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001274608423 931518493 /nfs/dbraw/zinc/51/84/93/931518493.db2.gz FUZARWJRDAFHGH-YVACAVLKSA-N 2 0 277.412 1.002 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001275583762 931893975 /nfs/dbraw/zinc/89/39/75/931893975.db2.gz YPKKSKVBHYAPJN-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001275741844 931991574 /nfs/dbraw/zinc/99/15/74/931991574.db2.gz MWUJDQYVNJNXGD-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC001144800797 932025860 /nfs/dbraw/zinc/02/58/60/932025860.db2.gz KYLYJOLFPQPXMK-UHFFFAOYSA-N 2 0 290.411 1.090 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001275921356 932135830 /nfs/dbraw/zinc/13/58/30/932135830.db2.gz SKHKMJROEIWJLR-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001568700309 1169437779 /nfs/dbraw/zinc/43/77/79/1169437779.db2.gz YPMOMULBPFMYBB-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001276747111 940964314 /nfs/dbraw/zinc/96/43/14/940964314.db2.gz CPFMEIXNBFXNEL-PHZGNYQRSA-N 2 0 291.439 1.342 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001282392240 942704397 /nfs/dbraw/zinc/70/43/97/942704397.db2.gz YAYVWBYCGJUQMR-QLFBSQMISA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001284244977 943130126 /nfs/dbraw/zinc/13/01/26/943130126.db2.gz RXCGCMAQYNUVBG-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001277836406 943763426 /nfs/dbraw/zinc/76/34/26/943763426.db2.gz NNIRQZJXGLAKTG-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001264481088 944141356 /nfs/dbraw/zinc/14/13/56/944141356.db2.gz NKRSKIWBOIZMLW-JKSUJKDBSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001265910637 944570639 /nfs/dbraw/zinc/57/06/39/944570639.db2.gz ICMUDLUKEOUJFU-LSDHHAIUSA-N 2 0 299.434 1.823 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266043202 944651345 /nfs/dbraw/zinc/65/13/45/944651345.db2.gz VHPLKFAREKYXDC-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001479739503 971389453 /nfs/dbraw/zinc/38/94/53/971389453.db2.gz ZRHSKRFEQPJXQX-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001331646418 948589579 /nfs/dbraw/zinc/58/95/79/948589579.db2.gz IEFZWYCJPITFGO-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)Cc1[nH]cnc1C)C(C)(C)C ZINC001279027986 948614849 /nfs/dbraw/zinc/61/48/49/948614849.db2.gz KVLXTFPIYQHUMC-CQSZACIVSA-N 2 0 292.427 1.957 10 30 CDEERP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001479981713 971523447 /nfs/dbraw/zinc/52/34/47/971523447.db2.gz CCDKUJNHWNATBC-ZIAGYGMSSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001278532440 949769066 /nfs/dbraw/zinc/76/90/66/949769066.db2.gz DGBNSMAZAKTRKK-ZIAGYGMSSA-N 2 0 267.417 1.482 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001480785427 971877198 /nfs/dbraw/zinc/87/71/98/971877198.db2.gz DBDXCJONBDFHBS-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001324668886 953506682 /nfs/dbraw/zinc/50/66/82/953506682.db2.gz JINYLRSISLSFOP-INIZCTEOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001325642432 954004380 /nfs/dbraw/zinc/00/43/80/954004380.db2.gz GAEPUSGOWZUAAC-MUJYYYPQSA-N 2 0 291.439 1.627 10 30 CDEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001325707438 954036785 /nfs/dbraw/zinc/03/67/85/954036785.db2.gz AJQRSJVLQUUNSY-UHFFFAOYSA-N 2 0 299.418 1.334 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001326555229 954431294 /nfs/dbraw/zinc/43/12/94/954431294.db2.gz NSMHHZPZGJAHJP-BZUAXINKSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001326554835 954431311 /nfs/dbraw/zinc/43/13/11/954431311.db2.gz HPEYHBMSRCLHTL-JYJNAYRXSA-N 2 0 293.455 1.470 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001493309062 972014171 /nfs/dbraw/zinc/01/41/71/972014171.db2.gz DUMBWLRYCDEGJH-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001328096510 955190210 /nfs/dbraw/zinc/19/02/10/955190210.db2.gz BBVQZQITQSVGJN-HUUCEWRRSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001328414350 955289471 /nfs/dbraw/zinc/28/94/71/955289471.db2.gz NYSKAVWBHMHXAN-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001493804172 972116815 /nfs/dbraw/zinc/11/68/15/972116815.db2.gz ZEJJJLBLDNTMGZ-UHFFFAOYSA-N 2 0 267.417 1.487 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001317190917 955716872 /nfs/dbraw/zinc/71/68/72/955716872.db2.gz ZQMCZLNDKITLFZ-HNNXBMFYSA-N 2 0 291.439 1.772 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1ncc[nH]1 ZINC001329148565 955719562 /nfs/dbraw/zinc/71/95/62/955719562.db2.gz FRPKPVTVMLMJTJ-GHMZBOCLSA-N 2 0 250.346 1.011 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001329460662 955929108 /nfs/dbraw/zinc/92/91/08/955929108.db2.gz RFVDVDIPCPLBLN-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001494172244 972193994 /nfs/dbraw/zinc/19/39/94/972193994.db2.gz NQFGMUMRVFPQFS-CQSZACIVSA-N 2 0 277.412 1.049 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001317477812 956634933 /nfs/dbraw/zinc/63/49/33/956634933.db2.gz PWKVFQCJGKTWPF-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317091309 956952310 /nfs/dbraw/zinc/95/23/10/956952310.db2.gz PVNMLROBGBNIKV-KKUMJFAQSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001317046101 957227130 /nfs/dbraw/zinc/22/71/30/957227130.db2.gz VGKCJXGOLQMAKW-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317202072 957339835 /nfs/dbraw/zinc/33/98/35/957339835.db2.gz DUVWTUZVXQGEEM-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317247457 957377310 /nfs/dbraw/zinc/37/73/10/957377310.db2.gz QAWYKXFEAMBYIP-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317506208 957518535 /nfs/dbraw/zinc/51/85/35/957518535.db2.gz XKJGWQGNVDCCDE-OWCLPIDISA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC001332436793 957565167 /nfs/dbraw/zinc/56/51/67/957565167.db2.gz HXPAGGJYKRZTSA-KBPBESRZSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317600940 957591220 /nfs/dbraw/zinc/59/12/20/957591220.db2.gz OLMIYIGGWDLPKG-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001318590285 958185925 /nfs/dbraw/zinc/18/59/25/958185925.db2.gz DYWLZMOYDGOUEB-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001318593824 958189981 /nfs/dbraw/zinc/18/99/81/958189981.db2.gz UKJLQSCZZXNQOA-ZIAGYGMSSA-N 2 0 269.433 1.633 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001494909563 972334255 /nfs/dbraw/zinc/33/42/55/972334255.db2.gz KAYGTQYLFRSLTI-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP CC#CC[N@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001333432837 958333181 /nfs/dbraw/zinc/33/31/81/958333181.db2.gz FZFVNCRMJPPNQY-INIZCTEOSA-N 2 0 289.423 1.100 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001319711852 958695104 /nfs/dbraw/zinc/69/51/04/958695104.db2.gz IBHLNVMBBAKIKT-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001319831420 958740864 /nfs/dbraw/zinc/74/08/64/958740864.db2.gz JQBXTFOQADDCRM-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001319831419 958742883 /nfs/dbraw/zinc/74/28/83/958742883.db2.gz JQBXTFOQADDCRM-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001369237489 959562185 /nfs/dbraw/zinc/56/21/85/959562185.db2.gz KIEPTRCZUNZQMR-TZMCWYRMSA-N 2 0 299.846 1.517 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001321334516 959729285 /nfs/dbraw/zinc/72/92/85/959729285.db2.gz AWGUTEGXIVKKAT-NNTXTVRGSA-N 2 0 265.401 1.166 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N(CC[NH2+]C)C(C)C)CC1 ZINC001335461556 959819809 /nfs/dbraw/zinc/81/98/09/959819809.db2.gz XESVOLIEZSOROJ-UHFFFAOYSA-N 2 0 282.432 1.276 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC ZINC001569341282 1169773298 /nfs/dbraw/zinc/77/32/98/1169773298.db2.gz WZVJCTJZTLCDBC-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001322244872 960149367 /nfs/dbraw/zinc/14/93/67/960149367.db2.gz QFFPZBFAVBEXEY-BBRMVZONSA-N 2 0 297.418 1.269 10 30 CDEERP C=CC[NH+](C)CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001492494586 960439353 /nfs/dbraw/zinc/43/93/53/960439353.db2.gz ZCQSKRNWDDZIQN-MRXNPFEDSA-N 2 0 289.423 1.913 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCc3cncn3C2)CC1 ZINC001323479653 960763830 /nfs/dbraw/zinc/76/38/30/960763830.db2.gz KKEVAMMYAJESNT-ZDUSSCGKSA-N 2 0 288.395 1.260 10 30 CDEERP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001323696157 960916999 /nfs/dbraw/zinc/91/69/99/960916999.db2.gz NAVGAAPNLZYIKG-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001324100236 961166816 /nfs/dbraw/zinc/16/68/16/961166816.db2.gz WVRUFBKABIJVDT-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001355611724 969226525 /nfs/dbraw/zinc/22/65/25/969226525.db2.gz HQYXNBSLKYRVPD-JSGCOSHPSA-N 2 0 251.374 1.025 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001496277800 972869040 /nfs/dbraw/zinc/86/90/40/972869040.db2.gz CNTTVRWHVYAYIN-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CCCF)CC1 ZINC001497331289 973288952 /nfs/dbraw/zinc/28/89/52/973288952.db2.gz LDZSANFBEMBLMT-CQSZACIVSA-N 2 0 297.418 1.176 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001497595439 973426156 /nfs/dbraw/zinc/42/61/56/973426156.db2.gz DPXXYIZOUQQUIP-OGZRUICASA-N 2 0 291.439 1.841 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001497817152 973533530 /nfs/dbraw/zinc/53/35/30/973533530.db2.gz MYPJZPHZZCGXTD-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001498314849 973825770 /nfs/dbraw/zinc/82/57/70/973825770.db2.gz WCVPMFSGMCGTMG-LBPRGKRZSA-N 2 0 253.390 1.093 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001498399890 973886577 /nfs/dbraw/zinc/88/65/77/973886577.db2.gz ROCUYPFGONZHKS-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001499689558 974289382 /nfs/dbraw/zinc/28/93/82/974289382.db2.gz NAZXRVULDBRATE-OAHLLOKOSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001499927199 974338107 /nfs/dbraw/zinc/33/81/07/974338107.db2.gz ZPONZGRIMHIACQ-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001500376399 974429925 /nfs/dbraw/zinc/42/99/25/974429925.db2.gz MCRRFWFWAQIOEU-MRXNPFEDSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001500457363 974439409 /nfs/dbraw/zinc/43/94/09/974439409.db2.gz JMFXLIOIVRYPQC-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001375765908 974472891 /nfs/dbraw/zinc/47/28/91/974472891.db2.gz JFTLJKPARRSHGW-CYBMUJFWSA-N 2 0 297.830 1.415 10 30 CDEERP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001501427255 974582859 /nfs/dbraw/zinc/58/28/59/974582859.db2.gz FCSDCBSWYQYHAO-JKSUJKDBSA-N 2 0 291.439 1.273 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001505456246 974886063 /nfs/dbraw/zinc/88/60/63/974886063.db2.gz QQSRZIZAKUSMHF-CABCVRRESA-N 2 0 279.428 1.273 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001506179444 975121826 /nfs/dbraw/zinc/12/18/26/975121826.db2.gz PHEZBUIKEGSVTE-INIZCTEOSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001506650688 975196542 /nfs/dbraw/zinc/19/65/42/975196542.db2.gz AAZIRHRZAOGJND-GOEBONIOSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001506752280 975216015 /nfs/dbraw/zinc/21/60/15/975216015.db2.gz YEXDWXIMBNDLNA-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001507072769 975324811 /nfs/dbraw/zinc/32/48/11/975324811.db2.gz JUMZTYNLIDBGJX-OAHLLOKOSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[N@H+](C)CCN(C(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001507856102 975548994 /nfs/dbraw/zinc/54/89/94/975548994.db2.gz VWWYLCXGEMNIFZ-MRXNPFEDSA-N 2 0 293.455 1.520 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001508025358 975577404 /nfs/dbraw/zinc/57/74/04/975577404.db2.gz UNPSJBYINGPWTC-KBPBESRZSA-N 2 0 281.444 1.470 10 30 CDEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001402776529 976478137 /nfs/dbraw/zinc/47/81/37/976478137.db2.gz XVIOPKPGKPYKOB-ZDUSSCGKSA-N 2 0 299.846 1.804 10 30 CDEERP CC#CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001492816502 977650728 /nfs/dbraw/zinc/65/07/28/977650728.db2.gz HZUXZVJWYFGSSR-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001393029626 977680023 /nfs/dbraw/zinc/68/00/23/977680023.db2.gz AOCZWZDEXOFIOV-OLZOCXBDSA-N 2 0 287.835 1.660 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001569968496 1170050678 /nfs/dbraw/zinc/05/06/78/1170050678.db2.gz JXYIVHMQOKFBDS-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570747642 1170266184 /nfs/dbraw/zinc/26/61/84/1170266184.db2.gz KFIALMNJLAFDQM-CHWSQXEVSA-N 2 0 255.406 1.339 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001570780159 1170280137 /nfs/dbraw/zinc/28/01/37/1170280137.db2.gz ZZEAPRAFJALBBU-MRXNPFEDSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001571002671 1170329083 /nfs/dbraw/zinc/32/90/83/1170329083.db2.gz SEXYWGVIEBLIIP-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP CC#CC[NH+]1CCCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001571049703 1170331769 /nfs/dbraw/zinc/33/17/69/1170331769.db2.gz YKEXOVAVNPDOJE-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001656176531 1171783195 /nfs/dbraw/zinc/78/31/95/1171783195.db2.gz XYZLQOYCPCUUMD-GASCZTMLSA-N 2 0 279.428 1.533 10 30 CDEERP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594428014 342897635 /nfs/dbraw/zinc/89/76/35/342897635.db2.gz YWXRSJCDAUIYOZ-NEPJUHHUSA-N 2 0 254.378 1.031 10 30 CDEERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437181 342905469 /nfs/dbraw/zinc/90/54/69/342905469.db2.gz IZOMTOICZFVRQH-CABCVRRESA-N 2 0 294.443 1.634 10 30 CDEERP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439634 342906826 /nfs/dbraw/zinc/90/68/26/342906826.db2.gz TUWJICFFSSRSDZ-KGLIPLIRSA-N 2 0 280.416 1.198 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000594440845 342907505 /nfs/dbraw/zinc/90/75/05/342907505.db2.gz INVYCFINDSSNIH-MJBXVCDLSA-N 2 0 278.400 1.141 10 30 CDEERP CC[NH+](CC)CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600713323 342243752 /nfs/dbraw/zinc/24/37/52/342243752.db2.gz HQZYPNUXJYXNAK-HNNXBMFYSA-N 2 0 297.443 1.379 10 30 CDEERP C[NH+](C)CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1CCCC1 ZINC000594436969 342903637 /nfs/dbraw/zinc/90/36/37/342903637.db2.gz RUXICRPECBXQLS-OAHLLOKOSA-N 2 0 294.443 1.730 10 30 CDEERP C=CCCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000091593941 342405983 /nfs/dbraw/zinc/40/59/83/342405983.db2.gz MSJWHFHHKBUZPZ-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH+]1CCC(Nc2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645165244 362200378 /nfs/dbraw/zinc/20/03/78/362200378.db2.gz XDBPYRVVCAHJGZ-UHFFFAOYSA-N 2 0 287.411 1.252 10 30 CDEERP CC#CCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000155486704 361562535 /nfs/dbraw/zinc/56/25/35/361562535.db2.gz DJPPEXMUUGQWGW-CQSZACIVSA-N 2 0 252.402 1.424 10 30 CDEERP C=CCCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000562628683 361659650 /nfs/dbraw/zinc/65/96/50/361659650.db2.gz UMSXLIJBEHKLBU-UHFFFAOYSA-N 2 0 270.421 1.087 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626970287 367106629 /nfs/dbraw/zinc/10/66/29/367106629.db2.gz JKMHFTAHJNLMQO-TZMCWYRMSA-N 2 0 280.416 1.077 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001661157373 1172345232 /nfs/dbraw/zinc/34/52/32/1172345232.db2.gz RHUGTRGRJSLOQI-BPUTZDHNSA-N 2 0 293.455 1.777 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001661226902 1172357494 /nfs/dbraw/zinc/35/74/94/1172357494.db2.gz LEQDYSNIORWHLW-HNNXBMFYSA-N 2 0 279.428 1.132 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001661694055 1172428767 /nfs/dbraw/zinc/42/87/67/1172428767.db2.gz FDDAEIMGZBOYEN-GASCZTMLSA-N 2 0 279.428 1.675 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001661926163 1172467444 /nfs/dbraw/zinc/46/74/44/1172467444.db2.gz SNCDZOWAQXKBGY-HUUCEWRRSA-N 2 0 297.418 1.270 10 30 CDEERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)C[C@@H]2C1 ZINC000193634771 375885831 /nfs/dbraw/zinc/88/58/31/375885831.db2.gz LAQXOFPSYHWECQ-GASCZTMLSA-N 2 0 298.390 1.380 10 30 CDEERP CC#CC[NH2+]C1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001662138328 1172486165 /nfs/dbraw/zinc/48/61/65/1172486165.db2.gz HCFOVRLXFKOKBG-FHERZECASA-N 2 0 291.439 1.369 10 30 CDEERP C=CCN1CC[C@H](N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1=O ZINC000420381184 376343827 /nfs/dbraw/zinc/34/38/27/376343827.db2.gz CJKPURPCJVUJBQ-ZNMIVQPWSA-N 2 0 277.412 1.237 10 30 CDEERP C=CCN1CC[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000374099513 391147268 /nfs/dbraw/zinc/14/72/68/391147268.db2.gz NMJRFRRALZRGGH-MRXNPFEDSA-N 2 0 291.439 1.581 10 30 CDEERP C=CC[C@]1(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCC[NH2+]1 ZINC000662769479 413465664 /nfs/dbraw/zinc/46/56/64/413465664.db2.gz FFNVFTJHLGOQAD-QGZVFWFLSA-N 2 0 285.391 1.604 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001665743347 1173050861 /nfs/dbraw/zinc/05/08/61/1173050861.db2.gz XGBACRJTZXDHSS-OAHLLOKOSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001665792666 1173062566 /nfs/dbraw/zinc/06/25/66/1173062566.db2.gz ILNNJRRQSLVIOY-MGPQQGTHSA-N 2 0 267.417 1.387 10 30 CDEERP C[N@@H+](Cc1sccc1C#CC[NH3+])C[C@H]1CCCO1 ZINC000043683890 175092372 /nfs/dbraw/zinc/09/23/72/175092372.db2.gz NINBSFPDVRPAMZ-CYBMUJFWSA-N 2 0 264.394 1.669 10 30 CDEERP COCC[NH+](CCOC)Cc1cc(C#CC[NH3+])cs1 ZINC000043689019 175095516 /nfs/dbraw/zinc/09/55/16/175095516.db2.gz DPOOBAGUKGKXCS-UHFFFAOYSA-N 2 0 282.409 1.153 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCC[NH2+]1 ZINC000662782069 424456168 /nfs/dbraw/zinc/45/61/68/424456168.db2.gz BBMXVEZCGVDMNY-IJEWVQPXSA-N 2 0 277.412 1.143 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001669822184 1173615515 /nfs/dbraw/zinc/61/55/15/1173615515.db2.gz TUYGAJBBSBARHT-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH+]1CC[C@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001671672038 1173702036 /nfs/dbraw/zinc/70/20/36/1173702036.db2.gz CZEIEIICOFOLGD-RDJZCZTQSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001673331195 1173845604 /nfs/dbraw/zinc/84/56/04/1173845604.db2.gz BBNRPKGENQBNNL-HNNXBMFYSA-N 2 0 297.443 1.111 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001673977249 1173903033 /nfs/dbraw/zinc/90/30/33/1173903033.db2.gz MXHMESSOZOZIDO-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCNC(=[NH2+])NCCN1CCc2c(Cl)cccc2C1 ZINC000189386933 329380782 /nfs/dbraw/zinc/38/07/82/329380782.db2.gz FSRMVEHSJUDKTN-UHFFFAOYSA-N 2 0 292.814 1.788 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000262240351 330002449 /nfs/dbraw/zinc/00/24/49/330002449.db2.gz XXSNFDMLNJEDTP-XGUBFFRZSA-N 2 0 296.459 1.579 10 30 CDEERP C=C[C@H](C)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422986690 330162928 /nfs/dbraw/zinc/16/29/28/330162928.db2.gz DFFIRGGKZKYIMA-RYUDHWBXSA-N 2 0 254.374 1.472 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001270128538 1160091849 /nfs/dbraw/zinc/09/18/49/1160091849.db2.gz IHILOZKHHPVPFL-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCC[NH2+]1 ZINC000662804026 482430512 /nfs/dbraw/zinc/43/05/12/482430512.db2.gz NVZNMOFNDCAYCQ-HLLBOEOZSA-N 2 0 291.439 1.627 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001496792664 1160643267 /nfs/dbraw/zinc/64/32/67/1160643267.db2.gz IADPLCHMPQENJX-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001707442191 1178046406 /nfs/dbraw/zinc/04/64/06/1178046406.db2.gz YECRJFJGSDGPAA-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)CCC)C1 ZINC001715045385 1179525836 /nfs/dbraw/zinc/52/58/36/1179525836.db2.gz KNORHJZMXIKRJB-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001734358556 1183745809 /nfs/dbraw/zinc/74/58/09/1183745809.db2.gz ZGKIRNRFWPOYIX-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH+](CC=C)CCn1cc(C[NH2+]CCC)nn1 ZINC000052376551 518770295 /nfs/dbraw/zinc/77/02/95/518770295.db2.gz CZOYPCMKVBPAGO-UHFFFAOYSA-N 2 0 263.389 1.452 10 30 CDEERP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CC[C@H](C)C1 ZINC000049609466 523514773 /nfs/dbraw/zinc/51/47/73/523514773.db2.gz SJXZHOWZEMGHQB-ZDUSSCGKSA-N 2 0 258.365 1.847 10 30 CDEERP C[C@H](CC[NH+](C)C)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000049561934 524163073 /nfs/dbraw/zinc/16/30/73/524163073.db2.gz IJUAFXNINNGCOE-LLVKDONJSA-N 2 0 279.409 1.128 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CO)c(F)c1 ZINC000049609787 527148339 /nfs/dbraw/zinc/14/83/39/527148339.db2.gz IPPVLWNHBAGVHV-OAHLLOKOSA-N 2 0 276.355 1.483 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001690183507 1175397846 /nfs/dbraw/zinc/39/78/46/1175397846.db2.gz ANVYOBHQNXWYLL-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941214979 613597270 /nfs/dbraw/zinc/59/72/70/613597270.db2.gz IHRGQGAOJJBKLZ-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP CCN(CC)C(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000104168529 617483592 /nfs/dbraw/zinc/48/35/92/617483592.db2.gz RBTYDGDIZMOLAK-UHFFFAOYSA-N 2 0 254.422 1.907 10 30 CDEERP C=C(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000925769885 617628581 /nfs/dbraw/zinc/62/85/81/617628581.db2.gz GQSCAWBWIJLXRG-TZMCWYRMSA-N 2 0 263.385 1.826 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000901284303 624109752 /nfs/dbraw/zinc/10/97/52/624109752.db2.gz ADFIONKAXPAIHF-STQMWFEESA-N 2 0 253.390 1.045 10 30 CDEERP C=CCCC[N@@H+](CC)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000904472606 626304708 /nfs/dbraw/zinc/30/47/08/626304708.db2.gz NBMHCSFHCFCBIJ-AWEZNQCLSA-N 2 0 277.416 1.991 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000908142569 628044580 /nfs/dbraw/zinc/04/45/80/628044580.db2.gz ZUBMMKSJVXNPPH-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(C)C[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001691198219 1158953189 /nfs/dbraw/zinc/95/31/89/1158953189.db2.gz LXVNHGJJBMLOBT-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001266896205 1158967848 /nfs/dbraw/zinc/96/78/48/1158967848.db2.gz XWIQMFRULMCZGB-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001670478208 1158617291 /nfs/dbraw/zinc/61/72/91/1158617291.db2.gz BZZHGQOQASEVCJ-CVEARBPZSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001690388585 1175457747 /nfs/dbraw/zinc/45/77/47/1175457747.db2.gz MAVYKXDKLOTKQI-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC001611558792 1165499842 /nfs/dbraw/zinc/49/98/42/1165499842.db2.gz PWPYEJPFQSQONU-UHFFFAOYSA-N 2 0 295.349 1.495 10 30 CDEERP C#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001566827376 1168434437 /nfs/dbraw/zinc/43/44/37/1168434437.db2.gz QRCMSZZLTMMLFG-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+]C1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001566992396 1168489774 /nfs/dbraw/zinc/48/97/74/1168489774.db2.gz UZEADWXRXQTDEX-UHFFFAOYSA-N 2 0 267.417 1.530 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CC(C)C)CC1 ZINC001567353685 1168698409 /nfs/dbraw/zinc/69/84/09/1168698409.db2.gz BIQXQNZLXCRPIC-UHFFFAOYSA-N 2 0 293.455 1.426 10 30 CDEERP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001567752540 1168952770 /nfs/dbraw/zinc/95/27/70/1168952770.db2.gz XCZWTBVNDXMQQY-HNNXBMFYSA-N 2 0 279.428 1.295 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001568241352 1169193956 /nfs/dbraw/zinc/19/39/56/1169193956.db2.gz MXBMWQMXPSNOFE-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001568950613 1169560626 /nfs/dbraw/zinc/56/06/26/1169560626.db2.gz KBQGEZYJMLSGER-UWUBPMADSA-N 2 0 293.455 1.945 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001568969947 1169567738 /nfs/dbraw/zinc/56/77/38/1169567738.db2.gz RFTAGBRVXWPSFY-MVGZEHJDSA-N 2 0 279.428 1.699 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001569673896 1169963077 /nfs/dbraw/zinc/96/30/77/1169963077.db2.gz ZPBRUAGNFMFLBL-MRXNPFEDSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001570186225 1170104945 /nfs/dbraw/zinc/10/49/45/1170104945.db2.gz ZETMKQZCLMTBSS-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001571167465 1170341533 /nfs/dbraw/zinc/34/15/33/1170341533.db2.gz CVIVADONITXBPI-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001571394611 1170409514 /nfs/dbraw/zinc/40/95/14/1170409514.db2.gz OLFBHVHVGNEEGA-CYBMUJFWSA-N 2 0 265.401 1.237 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001571492346 1170452953 /nfs/dbraw/zinc/45/29/53/1170452953.db2.gz CKVCZTPGHTUDCS-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001656113138 1171768122 /nfs/dbraw/zinc/76/81/22/1171768122.db2.gz RFMQDIPRIKQAAI-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001661823504 1172451350 /nfs/dbraw/zinc/45/13/50/1172451350.db2.gz SKGWCAUXXGKMGL-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001662966344 1172622997 /nfs/dbraw/zinc/62/29/97/1172622997.db2.gz UQOUPXSSQVRLRJ-RDBSUJKOSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCC)C2CC2)CC1 ZINC001663777673 1172761236 /nfs/dbraw/zinc/76/12/36/1172761236.db2.gz RHZKBHYWVIBQAD-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001664739765 1172902713 /nfs/dbraw/zinc/90/27/13/1172902713.db2.gz CECPJTQXEDELSY-JKSUJKDBSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001666000337 1173100210 /nfs/dbraw/zinc/10/02/10/1173100210.db2.gz NUMOKEJPFBIWSX-RDJZCZTQSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)Cn1cncc1C ZINC001666585396 1173156615 /nfs/dbraw/zinc/15/66/15/1173156615.db2.gz XWFJUNXHDZOCHS-GFCCVEGCSA-N 2 0 264.373 1.110 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001672531586 1173781813 /nfs/dbraw/zinc/78/18/13/1173781813.db2.gz XATBSVGWLPZCFG-HUUCEWRRSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001673918602 1173898419 /nfs/dbraw/zinc/89/84/19/1173898419.db2.gz ZRTVNSKMPCVAQO-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001674723160 1173997790 /nfs/dbraw/zinc/99/77/90/1173997790.db2.gz WHMLIFOZEIHAEV-OLZOCXBDSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001690584614 1175512088 /nfs/dbraw/zinc/51/20/88/1175512088.db2.gz PQJHZXJMNBVMEJ-GOEBONIOSA-N 2 0 291.439 1.511 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001690843016 1175587300 /nfs/dbraw/zinc/58/73/00/1175587300.db2.gz KDDDXVMZZIJMRO-QLFBSQMISA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[N@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001690955175 1175625591 /nfs/dbraw/zinc/62/55/91/1175625591.db2.gz MUOUHBPOANNNNQ-UHFFFAOYSA-N 2 0 284.363 1.328 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691797418 1175629356 /nfs/dbraw/zinc/62/93/56/1175629356.db2.gz IHVZEQUQZBMULF-SHTZXODSSA-N 2 0 291.439 1.675 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001698844741 1175960886 /nfs/dbraw/zinc/96/08/86/1175960886.db2.gz FBJKRUKKELWCOG-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001698879732 1175975820 /nfs/dbraw/zinc/97/58/20/1175975820.db2.gz QKAZOOFOHWAMDR-CABCVRRESA-N 2 0 279.428 1.082 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699263474 1176185513 /nfs/dbraw/zinc/18/55/13/1176185513.db2.gz WWYFMLRULIFNKH-BAABZTOOSA-N 2 0 297.830 1.343 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699344200 1176279958 /nfs/dbraw/zinc/27/99/58/1176279958.db2.gz GZPZAUQRRRHTDW-MOEXGYKKSA-N 2 0 291.439 1.392 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001699509033 1176454490 /nfs/dbraw/zinc/45/44/90/1176454490.db2.gz IHFLMMPKQWUISM-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001699771317 1176615415 /nfs/dbraw/zinc/61/54/15/1176615415.db2.gz WJDWUWZWUVWSLR-UHFFFAOYSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001699794280 1176625365 /nfs/dbraw/zinc/62/53/65/1176625365.db2.gz ZSLRZHKAPDHNEM-HOTGVXAUSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001699944137 1176691256 /nfs/dbraw/zinc/69/12/56/1176691256.db2.gz KUVRPXYSHNKSNC-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001699972760 1176703007 /nfs/dbraw/zinc/70/30/07/1176703007.db2.gz WTWWPYWSAJTORC-HOCLYGCPSA-N 2 0 291.439 1.036 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001699974311 1176703820 /nfs/dbraw/zinc/70/38/20/1176703820.db2.gz ZQKDNJWXMGYCGM-CVEARBPZSA-N 2 0 293.455 1.426 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCC1 ZINC001700157220 1176775624 /nfs/dbraw/zinc/77/56/24/1176775624.db2.gz QXXFCHPUBHGNNG-LSDHHAIUSA-N 2 0 291.439 1.818 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001700267113 1176825260 /nfs/dbraw/zinc/82/52/60/1176825260.db2.gz LMJVFZYIZDJYPF-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700468219 1176958016 /nfs/dbraw/zinc/95/80/16/1176958016.db2.gz XSINPOUMZYPOQY-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001700697875 1177079855 /nfs/dbraw/zinc/07/98/55/1177079855.db2.gz LIHRWYLAGOACNI-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001700902698 1177189324 /nfs/dbraw/zinc/18/93/24/1177189324.db2.gz QZEKMUYAVGLIQB-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001701008468 1177237307 /nfs/dbraw/zinc/23/73/07/1177237307.db2.gz NURLWAPPPNIXHD-ZBFHGGJFSA-N 2 0 295.471 1.975 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001707046648 1177925860 /nfs/dbraw/zinc/92/58/60/1177925860.db2.gz JMMGCCMMRBGKJK-OAHLLOKOSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001713083094 1178355890 /nfs/dbraw/zinc/35/58/90/1178355890.db2.gz QOOPMIUAFXBACQ-HRCADAONSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001713457714 1178577714 /nfs/dbraw/zinc/57/77/14/1178577714.db2.gz LIAITSGIOXGGNH-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001713564800 1178651091 /nfs/dbraw/zinc/65/10/91/1178651091.db2.gz LJEPLEQXZQHLAP-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001713755842 1178739847 /nfs/dbraw/zinc/73/98/47/1178739847.db2.gz JBXJZQJUBYBGOY-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714148895 1178990872 /nfs/dbraw/zinc/99/08/72/1178990872.db2.gz BHOQUEQJDKMANS-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001714646051 1179294271 /nfs/dbraw/zinc/29/42/71/1179294271.db2.gz OBBNTEAAXUIYCT-KBPBESRZSA-N 2 0 290.411 1.603 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001715062291 1179536171 /nfs/dbraw/zinc/53/61/71/1179536171.db2.gz GFZZVCLWQVSZGT-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001715211496 1179577545 /nfs/dbraw/zinc/57/75/45/1179577545.db2.gz YGTMBXAYSHOYFU-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001715362252 1179643144 /nfs/dbraw/zinc/64/31/44/1179643144.db2.gz VCUZNBAXFWIKSB-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001715469624 1179675749 /nfs/dbraw/zinc/67/57/49/1179675749.db2.gz FXEMKSYPOLAXQT-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001715473793 1179676492 /nfs/dbraw/zinc/67/64/92/1179676492.db2.gz MBFULDFXPWBCKY-HOCLYGCPSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001715572862 1179721887 /nfs/dbraw/zinc/72/18/87/1179721887.db2.gz VCLOXSXRPRQTLD-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001715870488 1179885132 /nfs/dbraw/zinc/88/51/32/1179885132.db2.gz VAWCOSAXTMASKR-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001715982535 1179961381 /nfs/dbraw/zinc/96/13/81/1179961381.db2.gz GUCYGJOEQRUAEC-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001716244210 1180116777 /nfs/dbraw/zinc/11/67/77/1180116777.db2.gz QPYDCDKUNAHEPY-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001716366455 1180170728 /nfs/dbraw/zinc/17/07/28/1180170728.db2.gz BRHCMFJNGBKCEN-SCOBNMCVSA-N 2 0 285.819 1.343 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001716975290 1180488236 /nfs/dbraw/zinc/48/82/36/1180488236.db2.gz LCOQKBSWWLSIMA-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001717089634 1180527890 /nfs/dbraw/zinc/52/78/90/1180527890.db2.gz VWIKGPYVPKZNPV-HNNXBMFYSA-N 2 0 291.439 1.629 10 30 CDEERP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001717557669 1180738745 /nfs/dbraw/zinc/73/87/45/1180738745.db2.gz XXDCRKBVVAKAPO-DZGCQCFKSA-N 2 0 279.428 1.032 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001717615687 1180759964 /nfs/dbraw/zinc/75/99/64/1180759964.db2.gz MRQQFRYNIWVOMX-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001717802837 1180863019 /nfs/dbraw/zinc/86/30/19/1180863019.db2.gz YBVSZTLENTWFSN-ZIAGYGMSSA-N 2 0 277.412 1.237 10 30 CDEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001723580380 1181589149 /nfs/dbraw/zinc/58/91/49/1181589149.db2.gz CKMFYDPVLFPHFI-AWEZNQCLSA-N 2 0 291.439 1.675 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001723580381 1181590041 /nfs/dbraw/zinc/59/00/41/1181590041.db2.gz CKMFYDPVLFPHFI-CQSZACIVSA-N 2 0 291.439 1.675 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001725074858 1181846755 /nfs/dbraw/zinc/84/67/55/1181846755.db2.gz AHTOQEWQUIIISW-GPANFISMSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001725163119 1181897051 /nfs/dbraw/zinc/89/70/51/1181897051.db2.gz BGPHAEXDSQVDER-KBPBESRZSA-N 2 0 285.407 1.126 10 30 CDEERP C#CC[NH+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001725240417 1181933674 /nfs/dbraw/zinc/93/36/74/1181933674.db2.gz LRLFEZCERZPIBT-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001725243694 1181935071 /nfs/dbraw/zinc/93/50/71/1181935071.db2.gz YTUFXZZDORFEHQ-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001725354481 1181971397 /nfs/dbraw/zinc/97/13/97/1181971397.db2.gz ZEEOXPLHBRZMIY-BPUTZDHNSA-N 2 0 291.439 1.389 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001725362757 1181974526 /nfs/dbraw/zinc/97/45/26/1181974526.db2.gz GPMBBRDEKLGYMB-HDJSIYSDSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001731476385 1182409663 /nfs/dbraw/zinc/40/96/63/1182409663.db2.gz OEECZYNWKVDHTB-ZNMIVQPWSA-N 2 0 277.412 1.119 10 30 CDEERP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001731542430 1182443289 /nfs/dbraw/zinc/44/32/89/1182443289.db2.gz VLLDICPCSCOKSF-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001731622172 1182485792 /nfs/dbraw/zinc/48/57/92/1182485792.db2.gz KCZWTFIRJDCWNO-CQSZACIVSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001731719239 1182529566 /nfs/dbraw/zinc/52/95/66/1182529566.db2.gz GLRAOVICKXXVJB-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001732206065 1182856531 /nfs/dbraw/zinc/85/65/31/1182856531.db2.gz LZRVLGKJKSRAGR-AWEZNQCLSA-N 2 0 297.443 1.015 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001732247449 1182882459 /nfs/dbraw/zinc/88/24/59/1182882459.db2.gz LCFHTPBWHJBWPF-DZGCQCFKSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001732563414 1183011482 /nfs/dbraw/zinc/01/14/82/1183011482.db2.gz SNLNGGQZQTVXGE-CVEARBPZSA-N 2 0 293.455 1.635 10 30 CDEERP C=CCCC[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001732591097 1183035163 /nfs/dbraw/zinc/03/51/63/1183035163.db2.gz HAHMXRHIPSSYBX-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001732626344 1183054112 /nfs/dbraw/zinc/05/41/12/1183054112.db2.gz QZXGETSADWKUKD-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001733222325 1183349425 /nfs/dbraw/zinc/34/94/25/1183349425.db2.gz AGENVLXWVPWTQQ-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001733341652 1183403759 /nfs/dbraw/zinc/40/37/59/1183403759.db2.gz GETVDFXNEVWVNP-HRCADAONSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001733352726 1183407281 /nfs/dbraw/zinc/40/72/81/1183407281.db2.gz QOWDIIDESNSYKR-HNNXBMFYSA-N 2 0 291.439 1.629 10 30 CDEERP C=CCCC[N@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001733412957 1183425830 /nfs/dbraw/zinc/42/58/30/1183425830.db2.gz PPQQOHJZMDHVPQ-INIZCTEOSA-N 2 0 291.439 1.629 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001733551089 1183463500 /nfs/dbraw/zinc/46/35/00/1183463500.db2.gz GODVHLLOWQFSPM-JKSUJKDBSA-N 2 0 295.471 1.979 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001733900480 1183563504 /nfs/dbraw/zinc/56/35/04/1183563504.db2.gz OWCWSPGOMHWLTA-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733970679 1183594148 /nfs/dbraw/zinc/59/41/48/1183594148.db2.gz HZOKCZUCDMLZIX-GJZGRUSLSA-N 2 0 293.455 1.757 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733998619 1183608240 /nfs/dbraw/zinc/60/82/40/1183608240.db2.gz ZUZZXDYZNYZDQY-UONOGXRCSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001733998781 1183609401 /nfs/dbraw/zinc/60/94/01/1183609401.db2.gz DUQYUDBRDINLIE-KBPBESRZSA-N 2 0 267.417 1.224 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001734312636 1183723848 /nfs/dbraw/zinc/72/38/48/1183723848.db2.gz UNNKNDJBVZVUIL-CQSZACIVSA-N 2 0 277.412 1.095 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001734326589 1183733769 /nfs/dbraw/zinc/73/37/69/1183733769.db2.gz MQPFDYXSUYMAIW-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001734395623 1183761804 /nfs/dbraw/zinc/76/18/04/1183761804.db2.gz OJRQDVBXGYZFGD-DZGCQCFKSA-N 2 0 279.428 1.626 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001734456974 1183786203 /nfs/dbraw/zinc/78/62/03/1183786203.db2.gz HRKDKUNYAJDQMC-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH+]1CC=C(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001734633761 1183855520 /nfs/dbraw/zinc/85/55/20/1183855520.db2.gz STYXBRVNBBEBCZ-HNNXBMFYSA-N 2 0 289.423 1.100 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000876846962 710703514 /nfs/dbraw/zinc/70/35/14/710703514.db2.gz GXRAUEJJMDBSRO-GHMZBOCLSA-N 2 0 259.781 1.186 10 30 CDEERP CN(C(=O)[C@@H]([NH3+])CCCCC#N)C1CCC([NH3+])CC1 ZINC000848395295 705460472 /nfs/dbraw/zinc/46/04/72/705460472.db2.gz BHXZGGMBBCDHAS-BPCQOVAHSA-N 2 0 266.389 1.126 10 30 CDEERP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000852870413 705477547 /nfs/dbraw/zinc/47/75/47/705477547.db2.gz NRDUTHXGRBTNHA-ZDUSSCGKSA-N 2 0 279.428 1.082 10 30 CDEERP C[N@H+](CCNC(=[NH2+])NCC1CCC1)C1CCCCC1 ZINC000303911150 705480669 /nfs/dbraw/zinc/48/06/69/705480669.db2.gz ZHGBHRMXZFIEGO-UHFFFAOYSA-N 2 0 266.433 1.955 10 30 CDEERP C[NH+](C)CCN(C(=O)C#CC1CC[NH2+]CC1)c1ccccc1 ZINC000852863422 705720014 /nfs/dbraw/zinc/72/00/14/705720014.db2.gz OCZPRHNGKPTZOJ-UHFFFAOYSA-N 2 0 299.418 1.584 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000876728265 705732769 /nfs/dbraw/zinc/73/27/69/705732769.db2.gz ZKBZERYVXJKQSH-ZDUSSCGKSA-N 2 0 285.819 1.447 10 30 CDEERP C#CCCCCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000878247895 705950921 /nfs/dbraw/zinc/95/09/21/705950921.db2.gz LATMIXPNRUBNLD-KRWDZBQOSA-N 2 0 277.456 1.892 10 30 CDEERP C#CCOc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000863544904 706057859 /nfs/dbraw/zinc/05/78/59/706057859.db2.gz FHIOONUNFPXSEN-CQSZACIVSA-N 2 0 276.380 1.715 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCCCCC[NH3+] ZINC000877436397 709501670 /nfs/dbraw/zinc/50/16/70/709501670.db2.gz HFYKVOIXXGLQHS-NSHDSACASA-N 2 0 261.797 1.434 10 30 CDEERP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000867962738 709587833 /nfs/dbraw/zinc/58/78/33/709587833.db2.gz AQJMULPTIBDOMA-ZBFHGGJFSA-N 2 0 298.390 1.003 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000876855703 709834104 /nfs/dbraw/zinc/83/41/04/709834104.db2.gz ZREUMHAQVOJURI-GFCCVEGCSA-N 2 0 295.770 1.577 10 30 CDEERP C[N@H+](CCn1ccnc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365485 709857392 /nfs/dbraw/zinc/85/73/92/709857392.db2.gz GIGAGWVCABTCRF-OAHLLOKOSA-N 2 0 270.336 1.420 10 30 CDEERP C=CC[C@@H]1CCN1CC(=O)NC[C@H](C)[N@@H+]1CC[C@@H]1CC=C ZINC000934463614 709981644 /nfs/dbraw/zinc/98/16/44/709981644.db2.gz XUWFBGUNBMHFCZ-XHSDSOJGSA-N 2 0 291.439 1.792 10 30 CDEERP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]([NH3+])CCCCC#N ZINC000720886440 710094351 /nfs/dbraw/zinc/09/43/51/710094351.db2.gz GTFUDZOXCSDHJW-HZSPNIEDSA-N 2 0 278.400 1.093 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000876901103 710186701 /nfs/dbraw/zinc/18/67/01/710186701.db2.gz ZEXUAXMWFIRNLC-FRRDWIJNSA-N 2 0 285.819 1.399 10 30 CDEERP C=CCC[C@H](O)C[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931311545 710406794 /nfs/dbraw/zinc/40/67/94/710406794.db2.gz RLHMWWVNGHPCOF-SOUVJXGZSA-N 2 0 252.402 1.587 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000794207010 711744627 /nfs/dbraw/zinc/74/46/27/711744627.db2.gz PTBAKJKIPUIUTF-GPANFISMSA-N 2 0 289.423 1.217 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)CCC[NH+](C)C)C(C)C ZINC001271885340 906931837 /nfs/dbraw/zinc/93/18/37/906931837.db2.gz NUADWQLWUACWGO-CQSZACIVSA-N 2 0 267.417 1.082 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001566516717 1168318229 /nfs/dbraw/zinc/31/82/29/1168318229.db2.gz VUSNEVFEZUGVRP-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2ccnc2C)C1 ZINC001566854072 1168445023 /nfs/dbraw/zinc/44/50/23/1168445023.db2.gz CUAHPTCIUIDBES-GASCZTMLSA-N 2 0 288.395 1.232 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001567177230 1168605768 /nfs/dbraw/zinc/60/57/68/1168605768.db2.gz SRMWSQNUKKHYDV-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266544525 895299278 /nfs/dbraw/zinc/29/92/78/895299278.db2.gz CMKKRHSKIKYYJO-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001266877943 896267590 /nfs/dbraw/zinc/26/75/90/896267590.db2.gz HIAWCDUSEURFOH-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001266881241 896271966 /nfs/dbraw/zinc/27/19/66/896271966.db2.gz UGIPQDHNXGLHSE-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001267301679 897521332 /nfs/dbraw/zinc/52/13/32/897521332.db2.gz DHRVZKSNPAWZBO-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001567574098 1168866430 /nfs/dbraw/zinc/86/64/30/1168866430.db2.gz XGQSOXBZHAZUIH-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccccc1 ZINC001267362602 897706284 /nfs/dbraw/zinc/70/62/84/897706284.db2.gz SSNVHRNQAUNCCG-JKSUJKDBSA-N 2 0 289.423 1.960 10 30 CDEERP C=CCC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267589583 898595552 /nfs/dbraw/zinc/59/55/52/898595552.db2.gz KTZCOUFZHLWSCO-JKSUJKDBSA-N 2 0 293.455 1.685 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001267595110 898644963 /nfs/dbraw/zinc/64/49/63/898644963.db2.gz FZEFCTZFIYLDHI-HNNXBMFYSA-N 2 0 279.428 1.130 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481101880 898828946 /nfs/dbraw/zinc/82/89/46/898828946.db2.gz DYIWVPQLBATUIL-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001267820694 899809352 /nfs/dbraw/zinc/80/93/52/899809352.db2.gz HHIAVIBGABBGON-CVEARBPZSA-N 2 0 293.455 1.757 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267986662 900201199 /nfs/dbraw/zinc/20/11/99/900201199.db2.gz NTNSPNSJIJOUNA-BFHYXJOUSA-N 2 0 267.417 1.245 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267988925 900204553 /nfs/dbraw/zinc/20/45/53/900204553.db2.gz BYTFNTOLBKQFPB-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001481363791 900497427 /nfs/dbraw/zinc/49/74/27/900497427.db2.gz VBPBTFJSFNQSJD-HZPDHXFCSA-N 2 0 285.391 1.161 10 30 CDEERP C=CCCCN1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001481559534 901214980 /nfs/dbraw/zinc/21/49/80/901214980.db2.gz NCLCQEIQGRPXOJ-TZMCWYRMSA-N 2 0 265.401 1.093 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268104864 901300075 /nfs/dbraw/zinc/30/00/75/901300075.db2.gz KHAMFFJRPRMXNY-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001481660634 901748631 /nfs/dbraw/zinc/74/86/31/901748631.db2.gz KSKDQUDDJPXPGZ-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001481703559 901844976 /nfs/dbraw/zinc/84/49/76/901844976.db2.gz VOQIUVBPWPQAFA-RBSFLKMASA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268347783 901910311 /nfs/dbraw/zinc/91/03/11/901910311.db2.gz DYRAMUDCPRRSGC-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001268491026 902364229 /nfs/dbraw/zinc/36/42/29/902364229.db2.gz JCHIUMWVFNFXOJ-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@H]1C ZINC001481964236 902418031 /nfs/dbraw/zinc/41/80/31/902418031.db2.gz POVHPCRQSZLELA-WBVHZDCISA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001268582110 902664768 /nfs/dbraw/zinc/66/47/68/902664768.db2.gz GAKWEDJTJLGGBE-NFAHFFEMSA-N 2 0 277.412 1.004 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001482156920 902775754 /nfs/dbraw/zinc/77/57/54/902775754.db2.gz DBOKYKFXKKMRPW-AWEZNQCLSA-N 2 0 293.455 1.636 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001270192619 904433219 /nfs/dbraw/zinc/43/32/19/904433219.db2.gz BGIOPZMRLJJYTN-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001270211045 904447763 /nfs/dbraw/zinc/44/77/63/904447763.db2.gz KKHYRXWHNIEUAV-CVEARBPZSA-N 2 0 291.439 1.485 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]C(C)C)CC1 ZINC001482369296 905218220 /nfs/dbraw/zinc/21/82/20/905218220.db2.gz WEOOFAXLEZAXSZ-AWEZNQCLSA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001270991256 905531987 /nfs/dbraw/zinc/53/19/87/905531987.db2.gz MLQLNLZQHRKMHA-GOEBONIOSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]C(C)C)C(C)C)CC1 ZINC001482571482 907279170 /nfs/dbraw/zinc/27/91/70/907279170.db2.gz IMHKVLICDHWLLL-MRXNPFEDSA-N 2 0 293.455 1.470 10 30 CDEERP C#CC[N@@H+](C)CCN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001272185557 908694858 /nfs/dbraw/zinc/69/48/58/908694858.db2.gz PEYAQYGVWYWJQA-UHFFFAOYSA-N 2 0 279.428 1.276 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483128509 909686118 /nfs/dbraw/zinc/68/61/18/909686118.db2.gz GRVUNCIWSOMEGI-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001568059759 1169130317 /nfs/dbraw/zinc/13/03/17/1169130317.db2.gz ADEJURZZVOKLHM-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001483420414 911092270 /nfs/dbraw/zinc/09/22/70/911092270.db2.gz ITVUWEPZVFFHDX-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001568097984 1169135430 /nfs/dbraw/zinc/13/54/30/1169135430.db2.gz NOHXDQVAMUKFFV-OAHLLOKOSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483942915 915216198 /nfs/dbraw/zinc/21/61/98/915216198.db2.gz SCDJUEFGTPDOHL-KKUMJFAQSA-N 2 0 279.428 1.483 10 30 CDEERP C#CCC[NH+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001484048933 915355590 /nfs/dbraw/zinc/35/55/90/915355590.db2.gz YBEQOVFHQPVTEB-DOTOQJQBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001484067331 915374612 /nfs/dbraw/zinc/37/46/12/915374612.db2.gz IVWXFTRIMJTOPW-INIZCTEOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484122183 915444793 /nfs/dbraw/zinc/44/47/93/915444793.db2.gz BQQPWBDFEXRBFY-HOCLYGCPSA-N 2 0 281.444 1.587 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001484121488 915445697 /nfs/dbraw/zinc/44/56/97/915445697.db2.gz CQWULRDDFBLCHO-MRXNPFEDSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484346965 915654031 /nfs/dbraw/zinc/65/40/31/915654031.db2.gz LUAOMXVHMRIPLS-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001484910895 916261230 /nfs/dbraw/zinc/26/12/30/916261230.db2.gz YLCNVHDUYDHLMV-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485197030 916640746 /nfs/dbraw/zinc/64/07/46/916640746.db2.gz CFOFBBIHXUQZNJ-KGLIPLIRSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485192939 916655586 /nfs/dbraw/zinc/65/55/86/916655586.db2.gz YPFAVPSCFLFVOI-NWDGAFQWSA-N 2 0 287.835 1.564 10 30 CDEERP C#CC[NH2+]C1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001485241646 916698361 /nfs/dbraw/zinc/69/83/61/916698361.db2.gz LRUYDCQRJPPYFI-UHFFFAOYSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001485331886 916830408 /nfs/dbraw/zinc/83/04/08/916830408.db2.gz FSNNSESUJWDMPZ-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001485578053 917107639 /nfs/dbraw/zinc/10/76/39/917107639.db2.gz SUUDQQDLNNZAKK-CYBMUJFWSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001272837617 919889047 /nfs/dbraw/zinc/88/90/47/919889047.db2.gz KACFNWUSXSICAO-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001486234455 920850756 /nfs/dbraw/zinc/85/07/56/920850756.db2.gz VCKKHZKEYNJZJC-RBSFLKMASA-N 2 0 291.439 1.177 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490924890 936831413 /nfs/dbraw/zinc/83/14/13/936831413.db2.gz RQCYPJWYGCXCON-MGPQQGTHSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001491238134 936880851 /nfs/dbraw/zinc/88/08/51/936880851.db2.gz YZIOFVWNOAOHID-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)Cc1[nH]c(C)nc1C ZINC001193921660 923985698 /nfs/dbraw/zinc/98/56/98/923985698.db2.gz ZZSXNNRQBLTDQR-UHFFFAOYSA-N 2 0 250.390 1.966 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001274367576 931494321 /nfs/dbraw/zinc/49/43/21/931494321.db2.gz CILZYNFNAZCPIU-AATRIKPKSA-N 2 0 299.418 1.300 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001274411993 931498032 /nfs/dbraw/zinc/49/80/32/931498032.db2.gz BYQWGOIXDFOORF-PTZVLDCSSA-N 2 0 291.439 1.536 10 30 CDEERP C=CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001493006301 931712490 /nfs/dbraw/zinc/71/24/90/931712490.db2.gz FPQAYSYPYPNCDM-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001275729748 931983183 /nfs/dbraw/zinc/98/31/83/931983183.db2.gz OQZJBMPMQDMAFQ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001275986998 932203867 /nfs/dbraw/zinc/20/38/67/932203867.db2.gz QNLBEAJWLWNCPK-HOCLYGCPSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001276146649 932564764 /nfs/dbraw/zinc/56/47/64/932564764.db2.gz HQJCAZNRHMRRNG-HOTGVXAUSA-N 2 0 293.455 1.424 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001122494947 937937067 /nfs/dbraw/zinc/93/70/67/937937067.db2.gz MJVZDVLWYMPDMO-QWHCGFSZSA-N 2 0 253.390 1.176 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001278266603 945224759 /nfs/dbraw/zinc/22/47/59/945224759.db2.gz GATZLKVXVAOKFQ-HOTGVXAUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001276712336 940827566 /nfs/dbraw/zinc/82/75/66/940827566.db2.gz UGDJDJQKAUFLRG-HNNXBMFYSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001276970460 941751846 /nfs/dbraw/zinc/75/18/46/941751846.db2.gz RAGQNMAVVQBWMS-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001277177374 942121485 /nfs/dbraw/zinc/12/14/85/942121485.db2.gz KQEHNFVJRYSJEY-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001281912553 942630025 /nfs/dbraw/zinc/63/00/25/942630025.db2.gz NKORTFGBNWJDHQ-IXDOHACOSA-N 2 0 299.418 1.332 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001281967724 942638615 /nfs/dbraw/zinc/63/86/15/942638615.db2.gz IVDNZAQWLSHZGJ-AWEZNQCLSA-N 2 0 267.417 1.435 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCC ZINC001283617397 942948528 /nfs/dbraw/zinc/94/85/28/942948528.db2.gz IEFUZPAHEHZHPV-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001283617683 942950020 /nfs/dbraw/zinc/95/00/20/942950020.db2.gz KFJPDUROUYPSOU-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001283938412 943031873 /nfs/dbraw/zinc/03/18/73/943031873.db2.gz IEJQKCFPIKIJGY-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001284025457 943053032 /nfs/dbraw/zinc/05/30/32/943053032.db2.gz KZPXHTSYTWDUEI-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001284131025 943084310 /nfs/dbraw/zinc/08/43/10/943084310.db2.gz YKXUEJXSOIYGRR-ZFWWWQNUSA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001284314328 943145665 /nfs/dbraw/zinc/14/56/65/943145665.db2.gz XFVAVEFZISCZTB-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC001263112442 943752642 /nfs/dbraw/zinc/75/26/42/943752642.db2.gz HUBHBCVVQUNONV-QWHCGFSZSA-N 2 0 253.390 1.223 10 30 CDEERP CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001263955307 944044280 /nfs/dbraw/zinc/04/42/80/944044280.db2.gz JBYIECMROUBNGM-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001265073214 944220240 /nfs/dbraw/zinc/22/02/40/944220240.db2.gz UGQYTBXHTTUQRB-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001265113459 944234669 /nfs/dbraw/zinc/23/46/69/944234669.db2.gz OCVQZYSUHCCWCH-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265231058 944288523 /nfs/dbraw/zinc/28/85/23/944288523.db2.gz REUOVLDAOGGNGW-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265433746 944385781 /nfs/dbraw/zinc/38/57/81/944385781.db2.gz IPEGMSKWWCWKFE-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001265596787 944442289 /nfs/dbraw/zinc/44/22/89/944442289.db2.gz KLNOKZHXZQVAFE-OAHLLOKOSA-N 2 0 279.428 1.487 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001568870921 1169527060 /nfs/dbraw/zinc/52/70/60/1169527060.db2.gz HXZXZKATIWLGMF-SNAWJCMRSA-N 2 0 289.423 1.148 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)CCC[NH2+]1 ZINC001261643677 946210388 /nfs/dbraw/zinc/21/03/88/946210388.db2.gz ASTZHPNRHKXCNN-HOCLYGCPSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480294943 971662056 /nfs/dbraw/zinc/66/20/56/971662056.db2.gz SCCAOHAQXJHCTR-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001480349660 971683910 /nfs/dbraw/zinc/68/39/10/971683910.db2.gz IRKAJKDLTLXZAA-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001569126951 1169674526 /nfs/dbraw/zinc/67/45/26/1169674526.db2.gz QXXZNBXYDNJOJL-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001480763882 971870414 /nfs/dbraw/zinc/87/04/14/971870414.db2.gz NIUUZUQKHMUJDC-HUUCEWRRSA-N 2 0 279.428 1.367 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001316663492 955083692 /nfs/dbraw/zinc/08/36/92/955083692.db2.gz FRRZPONGETTXDI-ARFHVFGLSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001328441248 955296068 /nfs/dbraw/zinc/29/60/68/955296068.db2.gz RIMGGSMHXUANAL-STQMWFEESA-N 2 0 255.406 1.387 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001491684444 955358470 /nfs/dbraw/zinc/35/84/70/955358470.db2.gz VPVLQFXNDGURMF-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001491813107 955477507 /nfs/dbraw/zinc/47/75/07/955477507.db2.gz ZCZVAYNDZRCRKG-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCCC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001328875406 955527788 /nfs/dbraw/zinc/52/77/88/955527788.db2.gz FRGQROAVMLWQDZ-UYSNPLJNSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001492036637 955622153 /nfs/dbraw/zinc/62/21/53/955622153.db2.gz ILUYKFXGEOBYFQ-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001329170578 955733824 /nfs/dbraw/zinc/73/38/24/955733824.db2.gz IOASSMHXFLKECD-CHWSQXEVSA-N 2 0 255.406 1.387 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001329625445 956029339 /nfs/dbraw/zinc/02/93/39/956029339.db2.gz VRDGZKLGGSLDFA-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001494053555 972163929 /nfs/dbraw/zinc/16/39/29/972163929.db2.gz CZBVWSQQCUNBAL-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001330001962 956230208 /nfs/dbraw/zinc/23/02/08/956230208.db2.gz ZBAHKNWQHWLZST-CQSZACIVSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001330230937 956339375 /nfs/dbraw/zinc/33/93/75/956339375.db2.gz UFRIQXCASPMHMP-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001317540442 956839768 /nfs/dbraw/zinc/83/97/68/956839768.db2.gz KRNJELXKDUKCKN-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001316993030 957191780 /nfs/dbraw/zinc/19/17/80/957191780.db2.gz WYZGVVWGLRXTKU-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001317017448 957204683 /nfs/dbraw/zinc/20/46/83/957204683.db2.gz DHBXJRQTQHEDQY-JKSUJKDBSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317140586 957299980 /nfs/dbraw/zinc/29/99/80/957299980.db2.gz QZGITJGVEXETDF-OAHLLOKOSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317147118 957305847 /nfs/dbraw/zinc/30/58/47/957305847.db2.gz NMZSJMUMYFHIDH-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001317559408 957554781 /nfs/dbraw/zinc/55/47/81/957554781.db2.gz XGVRWDKQSFVTGF-UHFFFAOYSA-N 2 0 277.412 1.239 10 30 CDEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001332445288 957567767 /nfs/dbraw/zinc/56/77/67/957567767.db2.gz YRSNPGJHQKXHIX-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001317810868 957675359 /nfs/dbraw/zinc/67/53/59/957675359.db2.gz GRDWQTCAMVWOSW-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001318539032 958162061 /nfs/dbraw/zinc/16/20/61/958162061.db2.gz BDODMPUWVFWJKN-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCOCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001494861461 972324439 /nfs/dbraw/zinc/32/44/39/972324439.db2.gz BOBKRDYTSBQRJQ-LSDHHAIUSA-N 2 0 297.443 1.062 10 30 CDEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001569303804 1169754597 /nfs/dbraw/zinc/75/45/97/1169754597.db2.gz XCSYSXSQMADROZ-FVQBIDKESA-N 2 0 293.455 1.777 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001319508750 958600774 /nfs/dbraw/zinc/60/07/74/958600774.db2.gz CXDJFFQBBPABIP-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001320890803 959441827 /nfs/dbraw/zinc/44/18/27/959441827.db2.gz ACRSHCOFUPVUNG-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001569329084 1169768109 /nfs/dbraw/zinc/76/81/09/1169768109.db2.gz FSLDUAQIBGGFNW-HZPDHXFCSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001321112566 959596210 /nfs/dbraw/zinc/59/62/10/959596210.db2.gz SEMCNTFCMQVFJO-XFCCUVRLSA-N 2 0 291.439 1.841 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001322247701 960150692 /nfs/dbraw/zinc/15/06/92/960150692.db2.gz HOBMGNUVRPAFBV-BFHYXJOUSA-N 2 0 290.411 1.536 10 30 CDEERP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001323697283 960919755 /nfs/dbraw/zinc/91/97/55/960919755.db2.gz YNMSEANVLOWVCW-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001479692533 964210902 /nfs/dbraw/zinc/21/09/02/964210902.db2.gz MROUNGIEZXHPGB-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC001464380456 969784483 /nfs/dbraw/zinc/78/44/83/969784483.db2.gz ZCFONDHWUZVMNI-AWEZNQCLSA-N 2 0 269.433 1.731 10 30 CDEERP C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497749614 973486754 /nfs/dbraw/zinc/48/67/54/973486754.db2.gz JWQHBXDHDAXATD-LMVHVUTASA-N 2 0 265.401 1.166 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001497963544 973591194 /nfs/dbraw/zinc/59/11/94/973591194.db2.gz YFGFBPYAYJRMFD-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001373823528 973657203 /nfs/dbraw/zinc/65/72/03/973657203.db2.gz YDVXBMUROXIROC-QWHCGFSZSA-N 2 0 287.835 1.565 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001498199454 973739182 /nfs/dbraw/zinc/73/91/82/973739182.db2.gz ZUFDQSYRQGKUHH-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001498376271 973869655 /nfs/dbraw/zinc/86/96/55/973869655.db2.gz PNXCWQVTQJKSKN-QWHCGFSZSA-N 2 0 255.406 1.195 10 30 CDEERP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001500225549 974406201 /nfs/dbraw/zinc/40/62/01/974406201.db2.gz LYZDUSOIQWVLAW-GDBMZVCRSA-N 2 0 299.434 1.823 10 30 CDEERP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001500225550 974407249 /nfs/dbraw/zinc/40/72/49/974407249.db2.gz LYZDUSOIQWVLAW-GOEBONIOSA-N 2 0 299.434 1.823 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001501080391 974529555 /nfs/dbraw/zinc/52/95/55/974529555.db2.gz OGFYDGHRIZLSNY-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001501395316 974579166 /nfs/dbraw/zinc/57/91/66/974579166.db2.gz LYUXWUYRAHAEJB-GJZGRUSLSA-N 2 0 277.412 1.027 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001505647056 974949572 /nfs/dbraw/zinc/94/95/72/974949572.db2.gz ZGUTVCCDKYMQHS-ZIAGYGMSSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001506853237 975235676 /nfs/dbraw/zinc/23/56/76/975235676.db2.gz TUWJDXWJCDSEPF-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001507150682 975356370 /nfs/dbraw/zinc/35/63/70/975356370.db2.gz ZRNOJGXONMVEFW-STQMWFEESA-N 2 0 255.406 1.339 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379517308 975901962 /nfs/dbraw/zinc/90/19/62/975901962.db2.gz YVLKJFRTMVCOLN-AAEUAGOBSA-N 2 0 285.819 1.175 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001379706291 976024902 /nfs/dbraw/zinc/02/49/02/976024902.db2.gz BJVDJTURKINXOR-GFCCVEGCSA-N 2 0 287.835 1.517 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001402792684 976482483 /nfs/dbraw/zinc/48/24/83/976482483.db2.gz OLFWCHPBKYEKDG-CMPLNLGQSA-N 2 0 273.808 1.127 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001402792687 976483902 /nfs/dbraw/zinc/48/39/02/976483902.db2.gz OLFWCHPBKYEKDG-JQWIXIFHSA-N 2 0 273.808 1.127 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001382054202 977144152 /nfs/dbraw/zinc/14/41/52/977144152.db2.gz ZUHKWEWXXPQDIM-RYUDHWBXSA-N 2 0 273.808 1.270 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001392025870 977184793 /nfs/dbraw/zinc/18/47/93/977184793.db2.gz SXVUQWRBQDLYQV-UHFFFAOYSA-N 2 0 299.846 1.853 10 30 CDEERP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001675343041 1174105399 /nfs/dbraw/zinc/10/53/99/1174105399.db2.gz IOLOWDSIFULAAW-GOEBONIOSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001677033322 1174309226 /nfs/dbraw/zinc/30/92/26/1174309226.db2.gz XETRJAYOIKICFJ-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001571003083 1170328659 /nfs/dbraw/zinc/32/86/59/1170328659.db2.gz WXZCSGBIRNNRFA-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001571297295 1170361086 /nfs/dbraw/zinc/36/10/86/1170361086.db2.gz QVYGRCSHQIAVJG-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001571547790 1170472862 /nfs/dbraw/zinc/47/28/62/1170472862.db2.gz GZEPXCCHMKZQLI-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)(C)C ZINC001571624919 1170500085 /nfs/dbraw/zinc/50/00/85/1170500085.db2.gz SMSKHDBMNXYKSX-HUUCEWRRSA-N 2 0 293.455 1.613 10 30 CDEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001571644860 1170507728 /nfs/dbraw/zinc/50/77/28/1170507728.db2.gz IQUTZGIFBZAXQM-CQSZACIVSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001656102667 1171765249 /nfs/dbraw/zinc/76/52/49/1171765249.db2.gz OLAJOQFOWYYNDH-OAHLLOKOSA-N 2 0 291.439 1.581 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000594427115 342897154 /nfs/dbraw/zinc/89/71/54/342897154.db2.gz SUQUWHPWIJPIKV-KBPBESRZSA-N 2 0 274.368 1.214 10 30 CDEERP C[NH+](C)CC1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594435132 342898806 /nfs/dbraw/zinc/89/88/06/342898806.db2.gz AZKYVAZLQFLXJN-NRXISQOPSA-N 2 0 294.443 1.634 10 30 CDEERP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594438766 342906253 /nfs/dbraw/zinc/90/62/53/342906253.db2.gz WWJPEXCPXPSLGY-UONOGXRCSA-N 2 0 280.416 1.340 10 30 CDEERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[C@@H]21 ZINC000594443123 342908147 /nfs/dbraw/zinc/90/81/47/342908147.db2.gz LNJVSNAHANEZBM-KFWWJZLASA-N 2 0 292.427 1.340 10 30 CDEERP C[C@H]1CC2(CN1C(=O)[C@H]([NH3+])CCCCC#N)CC[NH2+]CC2 ZINC000594450279 342909847 /nfs/dbraw/zinc/90/98/47/342909847.db2.gz WPWWPBKQNHIRLP-UONOGXRCSA-N 2 0 292.427 1.388 10 30 CDEERP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000600719851 342244648 /nfs/dbraw/zinc/24/46/48/342244648.db2.gz KXNUBEIHLWUXTR-TZMCWYRMSA-N 2 0 263.385 1.115 10 30 CDEERP N#CCC1CN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597204515 343473064 /nfs/dbraw/zinc/47/30/64/343473064.db2.gz YRPUBACMTOTMHH-UHFFFAOYSA-N 2 0 253.309 1.613 10 30 CDEERP C[NH2+]CCOCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000600710213 349876754 /nfs/dbraw/zinc/87/67/54/349876754.db2.gz MPJUJBMFAAADSX-OAHLLOKOSA-N 2 0 259.353 1.371 10 30 CDEERP CCC1([NH+](C)C)CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000602600381 344504866 /nfs/dbraw/zinc/50/48/66/344504866.db2.gz FZOXRYTUVXQBMY-CYBMUJFWSA-N 2 0 280.416 1.340 10 30 CDEERP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001660409085 1172211952 /nfs/dbraw/zinc/21/19/52/1172211952.db2.gz TZUDNEVOJLXWIM-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP Cc1nn(-c2cc[nH+]cc2)cc1CNCC1(C#N)CC1 ZINC000562384395 361365009 /nfs/dbraw/zinc/36/50/09/361365009.db2.gz MSKQJBKRNZKMOM-UHFFFAOYSA-N 2 0 267.336 1.969 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001661673934 1172425763 /nfs/dbraw/zinc/42/57/63/1172425763.db2.gz LGKMFFNGGCASSB-CAOSSQGBSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[C@]1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCC[NH2+]1 ZINC000662711439 413362648 /nfs/dbraw/zinc/36/26/48/413362648.db2.gz BFYBYTYACKEJNH-MRXNPFEDSA-N 2 0 297.362 1.904 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC3CCC2(C[NH3+])CC3)CCC[NH2+]1 ZINC000662825662 413556082 /nfs/dbraw/zinc/55/60/82/413556082.db2.gz KKHGDKFCJDGSCP-BCLQGDPASA-N 2 0 277.412 1.415 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659450414 413835550 /nfs/dbraw/zinc/83/55/50/413835550.db2.gz ONWHHGMMSLCKAX-ZIAGYGMSSA-N 2 0 298.406 1.108 10 30 CDEERP COCC[N@H+](Cc1ccc(C#CC[NH3+])s1)C1CC1 ZINC000043683908 175091976 /nfs/dbraw/zinc/09/19/76/175091976.db2.gz LRLSDFSVLLQFMN-UHFFFAOYSA-N 2 0 264.394 1.669 10 30 CDEERP C[N@H+](Cc1ccc(C#CC[NH3+])s1)[C@H]1CCSC1 ZINC000043683651 175092396 /nfs/dbraw/zinc/09/23/96/175092396.db2.gz CDPZDHNHGLTOIA-NSHDSACASA-N 2 0 266.435 1.996 10 30 CDEERP COCC[N@H+](Cc1ccc(C#CC[NH3+])s1)[C@H](C)COC ZINC000043684201 175093000 /nfs/dbraw/zinc/09/30/00/175093000.db2.gz OCGIPJJHQBYYPW-CYBMUJFWSA-N 2 0 296.436 1.542 10 30 CDEERP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043684117 175093275 /nfs/dbraw/zinc/09/32/75/175093275.db2.gz XIBRSZSZMNTLRE-NWDGAFQWSA-N 2 0 291.420 1.144 10 30 CDEERP CN(Cc1ccccc1C#CC[NH3+])C[C@@H]1CC[N@H+](C)C1 ZINC000071190474 176066610 /nfs/dbraw/zinc/06/66/10/176066610.db2.gz JIKYKRVOAUFTLM-OAHLLOKOSA-N 2 0 271.408 1.380 10 30 CDEERP C=CC[C@]1(C(=O)NCCC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662699105 424336990 /nfs/dbraw/zinc/33/69/90/424336990.db2.gz XLXVJVMMGNDLDN-MRXNPFEDSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001669747340 1173593251 /nfs/dbraw/zinc/59/32/51/1173593251.db2.gz ZVGACYIVJFHJTL-AWEZNQCLSA-N 2 0 267.417 1.533 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001673997561 1173904317 /nfs/dbraw/zinc/90/43/17/1173904317.db2.gz VPAKPUCBLJAVER-UHFFFAOYSA-N 2 0 276.384 1.417 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001267137071 1159133777 /nfs/dbraw/zinc/13/37/77/1159133777.db2.gz LKOQANYELIOUOA-UHFFFAOYSA-N 2 0 291.395 1.416 10 30 CDEERP N#CCCC[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000580433012 330132100 /nfs/dbraw/zinc/13/21/00/330132100.db2.gz ANDNTKZWLRZMPS-GJZGRUSLSA-N 2 0 286.379 1.092 10 30 CDEERP C=CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001714157346 1178994474 /nfs/dbraw/zinc/99/44/74/1178994474.db2.gz RXERXOREKWPBTL-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001733065432 1183272956 /nfs/dbraw/zinc/27/29/56/1183272956.db2.gz IILIIWQBQLRGMR-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP COC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609585 522218445 /nfs/dbraw/zinc/21/84/45/522218445.db2.gz GWYLCCLLUYEAMW-GFCCVEGCSA-N 2 0 264.344 1.603 10 30 CDEERP COc1ccc(C#CC[NH3+])cc1C[NH+]1CCCCC1 ZINC000049608670 523512632 /nfs/dbraw/zinc/51/26/32/523512632.db2.gz RTZQQOYROBYJTJ-UHFFFAOYSA-N 2 0 258.365 1.991 10 30 CDEERP C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000049561931 524472649 /nfs/dbraw/zinc/47/26/49/524472649.db2.gz DGZYGEHXYNYVEK-LBPRGKRZSA-N 2 0 291.370 1.206 10 30 CDEERP C=CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001689978690 1175332028 /nfs/dbraw/zinc/33/20/28/1175332028.db2.gz CKDVULPZLVABJS-AWEZNQCLSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000900734616 623432434 /nfs/dbraw/zinc/43/24/34/623432434.db2.gz IQWNMCGLVMWUNQ-CQSZACIVSA-N 2 0 283.460 1.977 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000901134340 623892605 /nfs/dbraw/zinc/89/26/05/623892605.db2.gz GOSRCYDNZWMJTL-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCNC(NC[C@@H]1CCC[N@H+]1CCOC)=[NH+]C(C)(C)C ZINC000912496776 630029943 /nfs/dbraw/zinc/02/99/43/630029943.db2.gz HAILQPPQYURFQX-AWEZNQCLSA-N 2 0 296.459 1.617 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCCS1)NC[C@@H]1CCC[N@@H+]1C ZINC000157380415 630596299 /nfs/dbraw/zinc/59/62/99/630596299.db2.gz GDIYLLLGPFNMBX-STQMWFEESA-N 2 0 284.473 1.531 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001266626669 1158705091 /nfs/dbraw/zinc/70/50/91/1158705091.db2.gz SKAFTWFMDHJGGQ-VGWMRTNUSA-N 2 0 289.423 1.263 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001691410652 1159061414 /nfs/dbraw/zinc/06/14/14/1159061414.db2.gz RLFLIRCFWGXQPM-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001672531463 1159740616 /nfs/dbraw/zinc/74/06/16/1159740616.db2.gz VDEKAFLQXVYEFE-LSDHHAIUSA-N 2 0 291.439 1.580 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001637883834 1166796262 /nfs/dbraw/zinc/79/62/62/1166796262.db2.gz GWQILCATEKUWQE-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566738488 1168404917 /nfs/dbraw/zinc/40/49/17/1168404917.db2.gz HQZVIAOIUCACQV-HOTGVXAUSA-N 2 0 295.471 1.929 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001566862485 1168446034 /nfs/dbraw/zinc/44/60/34/1168446034.db2.gz CFINKPDSLHDIPS-OKILXGFUSA-N 2 0 265.401 1.285 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001567144966 1168594706 /nfs/dbraw/zinc/59/47/06/1168594706.db2.gz GRMAWBFFOVLYIO-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001568493549 1169326959 /nfs/dbraw/zinc/32/69/59/1169326959.db2.gz XSSXPPWORILYLQ-GJZGRUSLSA-N 2 0 279.428 1.130 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001671246875 1169452756 /nfs/dbraw/zinc/45/27/56/1169452756.db2.gz YPACZGCATJOILX-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001569303105 1169756092 /nfs/dbraw/zinc/75/60/92/1169756092.db2.gz JHYIHNLAMZJMSZ-HZPDHXFCSA-N 2 0 291.439 1.389 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001569449201 1169883657 /nfs/dbraw/zinc/88/36/57/1169883657.db2.gz ZFRZMLKCSWYEAT-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001571129442 1170338823 /nfs/dbraw/zinc/33/88/23/1170338823.db2.gz HVSHMLZHSNJNDV-FPCVCCKLSA-N 2 0 289.423 1.121 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001571129444 1170339295 /nfs/dbraw/zinc/33/92/95/1170339295.db2.gz HVSHMLZHSNJNDV-VGWMRTNUSA-N 2 0 289.423 1.121 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001571181198 1170343362 /nfs/dbraw/zinc/34/33/62/1170343362.db2.gz LERQWOFMLLTTTA-RBSFLKMASA-N 2 0 279.428 1.080 10 30 CDEERP C=C(C)[C@H](CO)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001660591544 1172238386 /nfs/dbraw/zinc/23/83/86/1172238386.db2.gz DEXSYKOVGUBPOO-HNNXBMFYSA-N 2 0 282.428 1.236 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001663644366 1172736677 /nfs/dbraw/zinc/73/66/77/1172736677.db2.gz GHPDEIDUADBRSE-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP C=CC[N@H+](CCNC(=O)CCc1c[nH]cn1)C1CC1 ZINC001663726462 1172752754 /nfs/dbraw/zinc/75/27/54/1172752754.db2.gz BYAKXIUKKSBPKE-UHFFFAOYSA-N 2 0 262.357 1.109 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001664751366 1172905322 /nfs/dbraw/zinc/90/53/22/1172905322.db2.gz YRTBIJOEWLZLHI-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CCC=C)CC1 ZINC001665888512 1173080931 /nfs/dbraw/zinc/08/09/31/1173080931.db2.gz TYFRYYLDXXHAEO-MRXNPFEDSA-N 2 0 291.439 1.392 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001666425171 1173134341 /nfs/dbraw/zinc/13/43/41/1173134341.db2.gz HWUCHMCUMZKDEW-HUUCEWRRSA-N 2 0 297.418 1.270 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001668289184 1173392467 /nfs/dbraw/zinc/39/24/67/1173392467.db2.gz RPWWTKGNRAMMKA-HOCLYGCPSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001672531585 1173782146 /nfs/dbraw/zinc/78/21/46/1173782146.db2.gz XATBSVGWLPZCFG-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001674774657 1174008475 /nfs/dbraw/zinc/00/84/75/1174008475.db2.gz RHFIABLAFKQBTI-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH+]1CCCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001675677999 1174137003 /nfs/dbraw/zinc/13/70/03/1174137003.db2.gz MUKWJROOHBILBQ-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001676273102 1174199151 /nfs/dbraw/zinc/19/91/51/1174199151.db2.gz IFQNIJPNOIVRML-JKSUJKDBSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001677208650 1174334008 /nfs/dbraw/zinc/33/40/08/1174334008.db2.gz HHBHDZZTDZFNKQ-UHFFFAOYSA-N 2 0 279.428 1.130 10 30 CDEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001689267015 1175132958 /nfs/dbraw/zinc/13/29/58/1175132958.db2.gz CPSODOFZGFDZLP-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001690737877 1175559532 /nfs/dbraw/zinc/55/95/32/1175559532.db2.gz ACHXEQIBBBBOBL-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001691921029 1175651707 /nfs/dbraw/zinc/65/17/07/1175651707.db2.gz DIODICYDVAWROD-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1 ZINC001698635057 1175881002 /nfs/dbraw/zinc/88/10/02/1175881002.db2.gz WFWFHQGNTWEDNE-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001698635950 1175881464 /nfs/dbraw/zinc/88/14/64/1175881464.db2.gz UHGREGZISBZRCR-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001698767368 1175925116 /nfs/dbraw/zinc/92/51/16/1175925116.db2.gz UNDZRJBFHLOEBZ-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001699023942 1176047273 /nfs/dbraw/zinc/04/72/73/1176047273.db2.gz WGWYHUBDHMTGQK-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001699032424 1176050104 /nfs/dbraw/zinc/05/01/04/1176050104.db2.gz LVDARJOSFBKKOF-JKSUJKDBSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001699218003 1176145478 /nfs/dbraw/zinc/14/54/78/1176145478.db2.gz ZJVQYKVFQLZVAR-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001699375368 1176334821 /nfs/dbraw/zinc/33/48/21/1176334821.db2.gz VYJPGMGTYGWREK-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001699387766 1176345895 /nfs/dbraw/zinc/34/58/95/1176345895.db2.gz HEIHFNQRVBCMGJ-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001699423612 1176387442 /nfs/dbraw/zinc/38/74/42/1176387442.db2.gz YCCZCNLXNAVQMK-LSDHHAIUSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001699551870 1176472620 /nfs/dbraw/zinc/47/26/20/1176472620.db2.gz WVGWDCLEWLFXIR-UHFFFAOYSA-N 2 0 273.808 1.273 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001699853181 1176657711 /nfs/dbraw/zinc/65/77/11/1176657711.db2.gz HYKDTRYICTYPRN-DOTOQJQBSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001699949080 1176693205 /nfs/dbraw/zinc/69/32/05/1176693205.db2.gz BKPJXHXMUULQGF-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001700323819 1176852147 /nfs/dbraw/zinc/85/21/47/1176852147.db2.gz NGWVJQSOGCPNLK-GJZGRUSLSA-N 2 0 279.428 1.319 10 30 CDEERP C#CC[NH2+]C1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001700434284 1176927413 /nfs/dbraw/zinc/92/74/13/1176927413.db2.gz GXIKSIXDBXAHCP-UHFFFAOYSA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001700517235 1176991514 /nfs/dbraw/zinc/99/15/14/1176991514.db2.gz KMXUUVAYFXGUCZ-CVEARBPZSA-N 2 0 293.455 1.757 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001700840454 1177160508 /nfs/dbraw/zinc/16/05/08/1177160508.db2.gz IFHXICBIJICYIE-HIFRSBDPSA-N 2 0 279.428 1.483 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001713200987 1178427969 /nfs/dbraw/zinc/42/79/69/1178427969.db2.gz FPZITQDRKQCBJS-ZNMIVQPWSA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001713342497 1178511489 /nfs/dbraw/zinc/51/14/89/1178511489.db2.gz IJJOWDGQHQFQFF-UONOGXRCSA-N 2 0 285.407 1.290 10 30 CDEERP C#CCC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001713477717 1178594921 /nfs/dbraw/zinc/59/49/21/1178594921.db2.gz AQFRHMQXMMEVNW-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713682488 1178707691 /nfs/dbraw/zinc/70/76/91/1178707691.db2.gz BZCMAWZPZGUDLZ-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001713940441 1178868112 /nfs/dbraw/zinc/86/81/12/1178868112.db2.gz DXLIHJTVEYEJBP-SOUVJXGZSA-N 2 0 279.428 1.578 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714235568 1179038652 /nfs/dbraw/zinc/03/86/52/1179038652.db2.gz KUABUCLPPWMING-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714442597 1179142405 /nfs/dbraw/zinc/14/24/05/1179142405.db2.gz NYYBIVUBVZDFNY-HNNXBMFYSA-N 2 0 279.428 1.084 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001714547056 1179202477 /nfs/dbraw/zinc/20/24/77/1179202477.db2.gz DZNOPYZUTUUZRN-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001714569921 1179225048 /nfs/dbraw/zinc/22/50/48/1179225048.db2.gz FCDZQOGPMWSPQM-HNNXBMFYSA-N 2 0 265.401 1.096 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC)CC(C)C)CC1 ZINC001714946630 1179470742 /nfs/dbraw/zinc/47/07/42/1179470742.db2.gz YYDINYSKEBGKTF-INIZCTEOSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001714983355 1179490045 /nfs/dbraw/zinc/49/00/45/1179490045.db2.gz XSMXJLFAMGOWGF-ZIAGYGMSSA-N 2 0 279.428 1.483 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cncc1C ZINC001715446156 1179669103 /nfs/dbraw/zinc/66/91/03/1179669103.db2.gz WNQSPNCPVYDZRJ-HNNXBMFYSA-N 2 0 288.395 1.186 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715695908 1179767417 /nfs/dbraw/zinc/76/74/17/1179767417.db2.gz JOAQTHJRRLDKLR-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001715708775 1179770716 /nfs/dbraw/zinc/77/07/16/1179770716.db2.gz PXCFYZPRRDYKGD-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001715829016 1179852897 /nfs/dbraw/zinc/85/28/97/1179852897.db2.gz REQALKMPCZGZFS-CQSZACIVSA-N 2 0 267.417 1.435 10 30 CDEERP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715827725 1179854861 /nfs/dbraw/zinc/85/48/61/1179854861.db2.gz LGUWAFWSMYFLLM-INIZCTEOSA-N 2 0 293.455 1.685 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001716071367 1180031376 /nfs/dbraw/zinc/03/13/76/1180031376.db2.gz MOFAAHFTKVHZQB-JKSUJKDBSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716140379 1180068395 /nfs/dbraw/zinc/06/83/95/1180068395.db2.gz TWYAUCBMHSYOFR-TZMCWYRMSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001716146365 1180070617 /nfs/dbraw/zinc/07/06/17/1180070617.db2.gz ZNKXVZYSGCNSJE-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001716334462 1180158835 /nfs/dbraw/zinc/15/88/35/1180158835.db2.gz RWVHFKUSHBIMPI-MWWKQMNYSA-N 2 0 291.439 1.394 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001716399091 1180186607 /nfs/dbraw/zinc/18/66/07/1180186607.db2.gz VXEZLMBURROSBJ-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001716661287 1180346707 /nfs/dbraw/zinc/34/67/07/1180346707.db2.gz IINCWUWLXKQWKH-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001716699049 1180377002 /nfs/dbraw/zinc/37/70/02/1180377002.db2.gz CPDZEHLOPSBKFW-UONOGXRCSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001716874565 1180448936 /nfs/dbraw/zinc/44/89/36/1180448936.db2.gz MEJPLCAVYJLCBR-DOTOQJQBSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCOCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001717437360 1180672981 /nfs/dbraw/zinc/67/29/81/1180672981.db2.gz FJOCVLIZOIELIF-ZIAGYGMSSA-N 2 0 297.443 1.014 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001717551978 1180736122 /nfs/dbraw/zinc/73/61/22/1180736122.db2.gz DITAKWILPRJOFV-TZMCWYRMSA-N 2 0 267.417 1.339 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001717800968 1180861197 /nfs/dbraw/zinc/86/11/97/1180861197.db2.gz DGVAFQDDLYZOOE-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001717861253 1180898052 /nfs/dbraw/zinc/89/80/52/1180898052.db2.gz VMSBZDKXTVSGGI-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001717886987 1180914202 /nfs/dbraw/zinc/91/42/02/1180914202.db2.gz KAHBAIYETGXGFY-CVEARBPZSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001723310325 1181536761 /nfs/dbraw/zinc/53/67/61/1181536761.db2.gz CJKSTUNAJAEDCU-HUUCEWRRSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001723919434 1181622398 /nfs/dbraw/zinc/62/23/98/1181622398.db2.gz OLHSJTNCXRXTMS-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001724707508 1181730097 /nfs/dbraw/zinc/73/00/97/1181730097.db2.gz LDKFNFSQVOGWPT-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001724751239 1181738959 /nfs/dbraw/zinc/73/89/59/1181738959.db2.gz GWJZULPJOCQYQE-SHTZXODSSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725148250 1181882148 /nfs/dbraw/zinc/88/21/48/1181882148.db2.gz ZLUQHTOAVVVSEX-HNNXBMFYSA-N 2 0 293.455 1.426 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001725445217 1182001853 /nfs/dbraw/zinc/00/18/53/1182001853.db2.gz XFBFXMAYXZWYKR-HRCADAONSA-N 2 0 293.455 1.470 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001725446518 1182003157 /nfs/dbraw/zinc/00/31/57/1182003157.db2.gz WNQZQACAYMTAPC-HUUCEWRRSA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001725567243 1182052786 /nfs/dbraw/zinc/05/27/86/1182052786.db2.gz NOZCJQFGRAQSFS-OLZOCXBDSA-N 2 0 265.401 1.093 10 30 CDEERP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001725600512 1182068104 /nfs/dbraw/zinc/06/81/04/1182068104.db2.gz WRCVDCNSCCYNME-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001725674342 1182094132 /nfs/dbraw/zinc/09/41/32/1182094132.db2.gz DBSFFPGFIYNFEJ-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001731296227 1182299881 /nfs/dbraw/zinc/29/98/81/1182299881.db2.gz JYLJATFILPWRNC-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH+](CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001731338193 1182327636 /nfs/dbraw/zinc/32/76/36/1182327636.db2.gz UKOUUMWNKLMHKO-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001731412824 1182371253 /nfs/dbraw/zinc/37/12/53/1182371253.db2.gz JBPRRLUJYSLERU-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001731860595 1182634217 /nfs/dbraw/zinc/63/42/17/1182634217.db2.gz MFTDCBTUZNKDPQ-AWEZNQCLSA-N 2 0 265.401 1.096 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001732003268 1182720539 /nfs/dbraw/zinc/72/05/39/1182720539.db2.gz ZVVWQOMJTJOJPY-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001732101148 1182769184 /nfs/dbraw/zinc/76/91/84/1182769184.db2.gz JXYMIXLHFNWFQL-GZBFAFLISA-N 2 0 279.428 1.482 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001732133172 1182794138 /nfs/dbraw/zinc/79/41/38/1182794138.db2.gz FUJSWTYSHQZRPC-UHFFFAOYSA-N 2 0 295.471 1.979 10 30 CDEERP CC#CC[NH2+]C[C@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001732250892 1182884367 /nfs/dbraw/zinc/88/43/67/1182884367.db2.gz HBTNEMDZFZNMQQ-PBHICJAKSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001732399320 1182944941 /nfs/dbraw/zinc/94/49/41/1182944941.db2.gz CHFUKZLADOXDGY-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001732490473 1182988289 /nfs/dbraw/zinc/98/82/89/1182988289.db2.gz XNLBCQBCDRZBRB-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001733013258 1183237692 /nfs/dbraw/zinc/23/76/92/1183237692.db2.gz MHLUYCXTBVVUNE-GJZGRUSLSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001733176530 1183318644 /nfs/dbraw/zinc/31/86/44/1183318644.db2.gz KPKLUTVPNABLET-AWEZNQCLSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001733228326 1183354437 /nfs/dbraw/zinc/35/44/37/1183354437.db2.gz CZTFJAVSUYAXDT-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001733525125 1183456570 /nfs/dbraw/zinc/45/65/70/1183456570.db2.gz BCBBBORPXWPWNA-ZIAGYGMSSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001733538202 1183458747 /nfs/dbraw/zinc/45/87/47/1183458747.db2.gz MYJSKXYFBRMHNV-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001733549379 1183463915 /nfs/dbraw/zinc/46/39/15/1183463915.db2.gz JNROYHCARHEORX-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001733557781 1183465958 /nfs/dbraw/zinc/46/59/58/1183465958.db2.gz DLJXLOIDQALNAM-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001733772497 1183528995 /nfs/dbraw/zinc/52/89/95/1183528995.db2.gz DWRIVWWAVCYEKU-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001733942983 1183576627 /nfs/dbraw/zinc/57/66/27/1183576627.db2.gz FMZRNEAKQKWVJN-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001734060517 1183643129 /nfs/dbraw/zinc/64/31/29/1183643129.db2.gz VRGTVIIQUMASLA-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001734098169 1183657376 /nfs/dbraw/zinc/65/73/76/1183657376.db2.gz VEGMCFSLRCCXMK-RDJZCZTQSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001734219176 1183695166 /nfs/dbraw/zinc/69/51/66/1183695166.db2.gz XIAJRAQXGDRABE-KOMQPUFPSA-N 2 0 293.455 1.777 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001734299939 1183719582 /nfs/dbraw/zinc/71/95/82/1183719582.db2.gz GKEWAMSPSUJXGX-HZPDHXFCSA-N 2 0 293.455 1.872 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001734424027 1183773618 /nfs/dbraw/zinc/77/36/18/1183773618.db2.gz DIPPOOJMRRSUQF-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+](C)CCN(C(=O)C[N@@H+](C)CCC)C(C)C ZINC001734554966 1183824672 /nfs/dbraw/zinc/82/46/72/1183824672.db2.gz VBIWYSLVPYHISY-UHFFFAOYSA-N 2 0 267.417 1.130 10 30 CDEERP C[NH+]=C(NCc1ccco1)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849048542 711855255 /nfs/dbraw/zinc/85/52/55/711855255.db2.gz IPXMZHOHFZTQSY-TXEJJXNPSA-N 2 0 264.373 1.285 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000876781060 711919568 /nfs/dbraw/zinc/91/95/68/711919568.db2.gz ITDUYFBMHPEBOP-NHCYSSNCSA-N 2 0 271.792 1.198 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000876713600 712134606 /nfs/dbraw/zinc/13/46/06/712134606.db2.gz RMHYSZUOJNVARD-QWHCGFSZSA-N 2 0 287.835 1.837 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000876838480 712422110 /nfs/dbraw/zinc/42/21/10/712422110.db2.gz KMTFYUXQOSLJND-QWRGUYRKSA-N 2 0 259.781 1.044 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCCC(=O)OC ZINC000303770388 712456869 /nfs/dbraw/zinc/45/68/69/712456869.db2.gz BXNRSYDTVQSGMV-ZDUSSCGKSA-N 2 0 298.431 1.108 10 30 CDEERP C[C@@H]1CC(=O)[C@](C)([N+]2(C)CCCCC2)C[N+]1(C)C ZINC000002034551 717093584 /nfs/dbraw/zinc/09/35/84/717093584.db2.gz QSIWBFWQWCYEQE-UKRRQHHQSA-N 2 0 254.418 1.813 10 30 CDEERP C[NH+](C)C[C@@H]1CN(c2cccc(C#N)n2)C[C@H]1C[NH+](C)C ZINC000866011993 1164721828 /nfs/dbraw/zinc/72/18/28/1164721828.db2.gz OCGNILQYCIMPFC-ZIAGYGMSSA-N 2 0 287.411 1.129 10 30 CDEERP C=CC[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000877970445 1166123070 /nfs/dbraw/zinc/12/30/70/1166123070.db2.gz OLZZBLAYLWDMGA-AWEZNQCLSA-N 2 0 252.402 1.995 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001569108335 1167550125 /nfs/dbraw/zinc/55/01/25/1167550125.db2.gz HLPBKBKHXNWCEP-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567914164 1168073221 /nfs/dbraw/zinc/07/32/21/1168073221.db2.gz AADZTNNCRAUCOM-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001565923433 1168200654 /nfs/dbraw/zinc/20/06/54/1168200654.db2.gz ZADHODWTDSOTDO-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001566123857 1168242085 /nfs/dbraw/zinc/24/20/85/1168242085.db2.gz YTGNDVMIYDNNAF-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001566604152 1168354797 /nfs/dbraw/zinc/35/47/97/1168354797.db2.gz PUQIQUKSVGTNDI-GJZGRUSLSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH+]1CCC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001566878379 1168453533 /nfs/dbraw/zinc/45/35/33/1168453533.db2.gz ARGXTCBJGDZQQM-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001567016190 1168512316 /nfs/dbraw/zinc/51/23/16/1168512316.db2.gz DPFPOGAGFCKKGM-MELADBBJSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)CN1CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001483680135 912652815 /nfs/dbraw/zinc/65/28/15/912652815.db2.gz VYSICSPCXNSWEW-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001567291254 1168663327 /nfs/dbraw/zinc/66/33/27/1168663327.db2.gz ZNBCWQARHDDJLQ-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001567367988 1168715385 /nfs/dbraw/zinc/71/53/85/1168715385.db2.gz MMBWEDWKIOXRGU-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[N@H+]1CCC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001567387225 1168722587 /nfs/dbraw/zinc/72/25/87/1168722587.db2.gz WDTXDLLNEHBOSN-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001266391064 894662724 /nfs/dbraw/zinc/66/27/24/894662724.db2.gz XWKOMNMPHNOCJM-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266439691 894907104 /nfs/dbraw/zinc/90/71/04/894907104.db2.gz UOAUFWLUAZHHMA-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001266793111 896057843 /nfs/dbraw/zinc/05/78/43/896057843.db2.gz HCUHOMUXRKYOKK-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266888119 896283354 /nfs/dbraw/zinc/28/33/54/896283354.db2.gz BOHRQTPFXBSMQP-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001279587905 896946898 /nfs/dbraw/zinc/94/68/98/896946898.db2.gz OTSSJFOPXBPRRI-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001267243033 897305904 /nfs/dbraw/zinc/30/59/04/897305904.db2.gz HSBDYUCMMVYDFC-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001267257444 897358879 /nfs/dbraw/zinc/35/88/79/897358879.db2.gz WHHSYEAWNKKBKA-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH+](CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001267337632 897631634 /nfs/dbraw/zinc/63/16/34/897631634.db2.gz CPIGWAQKJBXMLV-OKILXGFUSA-N 2 0 279.428 1.626 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001267569429 898406615 /nfs/dbraw/zinc/40/66/15/898406615.db2.gz VFDUOLDPOIZBQX-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001267858714 899881752 /nfs/dbraw/zinc/88/17/52/899881752.db2.gz URXPFOQKJRGPTJ-QGZVFWFLSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C[C@](C)(NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001267858041 899884413 /nfs/dbraw/zinc/88/44/13/899884413.db2.gz LIFASBJXIGHAHV-PBHICJAKSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001267929279 899995715 /nfs/dbraw/zinc/99/57/15/899995715.db2.gz LMKZSITZTMEFSB-SHTZXODSSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267966631 900105623 /nfs/dbraw/zinc/10/56/23/900105623.db2.gz NEWYWGDHOUMETH-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268087051 901167034 /nfs/dbraw/zinc/16/70/34/901167034.db2.gz OHUJVPYGXIQIQX-HOTGVXAUSA-N 2 0 293.455 1.709 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001268293450 901771630 /nfs/dbraw/zinc/77/16/30/901771630.db2.gz CJBRNSKGRSWCOH-CVEARBPZSA-N 2 0 291.439 1.370 10 30 CDEERP CCCCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303694560 902086087 /nfs/dbraw/zinc/08/60/87/902086087.db2.gz DAQVTUCZPMTMPR-ZDUSSCGKSA-N 2 0 254.422 1.955 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)C[NH+]1CCCC1 ZINC001481879529 902264988 /nfs/dbraw/zinc/26/49/88/902264988.db2.gz UMTIDZNTRAIPJZ-CYBMUJFWSA-N 2 0 253.390 1.143 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)CCCC[NH+](C)C)CCCC1 ZINC001481909822 902303449 /nfs/dbraw/zinc/30/34/49/902303449.db2.gz CQNZUKPTYLXPHX-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001481922793 902336918 /nfs/dbraw/zinc/33/69/18/902336918.db2.gz MDGIJWQORVUFQF-HIFRSBDPSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482134803 902691495 /nfs/dbraw/zinc/69/14/95/902691495.db2.gz FAOCHTBNVKLJNZ-KKUMJFAQSA-N 2 0 281.444 1.635 10 30 CDEERP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC001268988883 903307387 /nfs/dbraw/zinc/30/73/87/903307387.db2.gz VJBDMFMFGZHDBP-KBPBESRZSA-N 2 0 265.401 1.188 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C[N@H+](C)C1CCC1 ZINC001269413472 903792358 /nfs/dbraw/zinc/79/23/58/903792358.db2.gz VOWPNKWSVSZFDQ-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001270921169 905447494 /nfs/dbraw/zinc/44/74/94/905447494.db2.gz FXZPJRZHIAZQMG-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001271610579 906544380 /nfs/dbraw/zinc/54/43/80/906544380.db2.gz XFRAIXCROCARSJ-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271609494 906548297 /nfs/dbraw/zinc/54/82/97/906548297.db2.gz PKYBZXHQGYLKII-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001271892428 906942303 /nfs/dbraw/zinc/94/23/03/906942303.db2.gz KAMNSANYLQGOOD-AWEZNQCLSA-N 2 0 267.417 1.245 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001505456248 906994695 /nfs/dbraw/zinc/99/46/95/906994695.db2.gz QQSRZIZAKUSMHF-HUUCEWRRSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001273575489 921343131 /nfs/dbraw/zinc/34/31/31/921343131.db2.gz GCAZMJSHAOMNCT-AWEZNQCLSA-N 2 0 290.411 1.378 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001483067498 909251085 /nfs/dbraw/zinc/25/10/85/909251085.db2.gz DUERVGMFRHSQKF-OVNWPICBSA-N 2 0 277.412 1.451 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483368336 910995562 /nfs/dbraw/zinc/99/55/62/910995562.db2.gz PJQWIBOREQZPBS-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483484791 911178639 /nfs/dbraw/zinc/17/86/39/911178639.db2.gz TYYVOVXLODRFHX-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001483495947 911194376 /nfs/dbraw/zinc/19/43/76/911194376.db2.gz OXMXGJVWRHPFQS-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001484347150 915656089 /nfs/dbraw/zinc/65/60/89/915656089.db2.gz NBGOHXBXPDHZEV-HOCLYGCPSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001484466236 915792027 /nfs/dbraw/zinc/79/20/27/915792027.db2.gz SKAUZLXGNKFJOV-LSDHHAIUSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001484618567 915954198 /nfs/dbraw/zinc/95/41/98/915954198.db2.gz WAAVRQYYASHGFH-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000303885690 935047202 /nfs/dbraw/zinc/04/72/02/935047202.db2.gz JXYHNKAOSFFKSP-LBPRGKRZSA-N 2 0 280.441 1.537 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001485059385 916457293 /nfs/dbraw/zinc/45/72/93/916457293.db2.gz GDUMHORTGSVXEY-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)CN(C)Cc1ccccc1 ZINC001485390980 916925643 /nfs/dbraw/zinc/92/56/43/916925643.db2.gz LXFHERIEKLUUNG-HNNXBMFYSA-N 2 0 289.423 1.741 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001485531484 917072075 /nfs/dbraw/zinc/07/20/75/917072075.db2.gz UFPTYGCNTQIKEB-HNNXBMFYSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001485763333 917264537 /nfs/dbraw/zinc/26/45/37/917264537.db2.gz QLMZNKCQFRLYHF-UHFFFAOYSA-N 2 0 287.835 1.613 10 30 CDEERP C#CC[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000829768712 936431024 /nfs/dbraw/zinc/43/10/24/936431024.db2.gz IWRBDYDZXCZXPM-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001273515398 919889130 /nfs/dbraw/zinc/88/91/30/919889130.db2.gz VECXZNFSKJMXPB-MRXNPFEDSA-N 2 0 291.439 1.132 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001486121488 920731569 /nfs/dbraw/zinc/73/15/69/920731569.db2.gz LNYRMUNDHBMYPL-QWHCGFSZSA-N 2 0 265.401 1.093 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001486131502 920738109 /nfs/dbraw/zinc/73/81/09/920738109.db2.gz QDYAUPCPKZMFJC-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001486128686 920757492 /nfs/dbraw/zinc/75/74/92/920757492.db2.gz KRVREXSNAWSOPB-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH+]1CC=C(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001486519920 921096081 /nfs/dbraw/zinc/09/60/81/921096081.db2.gz ZCTJXYSABQUMFU-INIZCTEOSA-N 2 0 291.439 1.653 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001273053072 921834372 /nfs/dbraw/zinc/83/43/72/921834372.db2.gz SUMKOCUZRVOWQQ-HOTGVXAUSA-N 2 0 293.455 1.759 10 30 CDEERP C[C@H](C#N)OCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691877292 936785387 /nfs/dbraw/zinc/78/53/87/936785387.db2.gz YAGKNPHGOZMPPR-CQSZACIVSA-N 2 0 265.401 1.723 10 30 CDEERP C=CCC[C@@H](O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923443048 923839011 /nfs/dbraw/zinc/83/90/11/923839011.db2.gz RXESPEHADBVPCE-KGLIPLIRSA-N 2 0 268.401 1.143 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001491360945 936898511 /nfs/dbraw/zinc/89/85/11/936898511.db2.gz LEMLRLCGQFHKKI-UHFFFAOYSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001568379199 1169268036 /nfs/dbraw/zinc/26/80/36/1169268036.db2.gz OKCCIDCBDFOEIF-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001491538638 936931124 /nfs/dbraw/zinc/93/11/24/936931124.db2.gz MICFINMBZWNGGV-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCN1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001488664001 926653761 /nfs/dbraw/zinc/65/37/61/926653761.db2.gz QIHABBMMLNDYFJ-STQMWFEESA-N 2 0 253.390 1.045 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001568459524 1169298120 /nfs/dbraw/zinc/29/81/20/1169298120.db2.gz RHKBXMCGHWLCNU-CQSZACIVSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490729809 927336910 /nfs/dbraw/zinc/33/69/10/927336910.db2.gz XUWYXPCQUJLWRP-JSGCOSHPSA-N 2 0 299.846 1.565 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC[NH2+]1 ZINC000852871759 927905024 /nfs/dbraw/zinc/90/50/24/927905024.db2.gz WJDBHFBHBOKLBK-IIAWOOMASA-N 2 0 279.428 1.674 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001274632670 931526493 /nfs/dbraw/zinc/52/64/93/931526493.db2.gz AXJXAOXYCDPAOB-HUUCEWRRSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001275115620 931668547 /nfs/dbraw/zinc/66/85/47/931668547.db2.gz PORZTWVTJSVNIN-OAHLLOKOSA-N 2 0 293.455 1.970 10 30 CDEERP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(C)C ZINC000303974043 935048567 /nfs/dbraw/zinc/04/85/67/935048567.db2.gz HMOJHVVWFOLZBV-ZDUSSCGKSA-N 2 0 270.421 1.048 10 30 CDEERP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001276587232 940389350 /nfs/dbraw/zinc/38/93/50/940389350.db2.gz YZPMLNXSGFVKIQ-OAHLLOKOSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001276640543 940468523 /nfs/dbraw/zinc/46/85/23/940468523.db2.gz DAUXTVHVCUJARX-KBPBESRZSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001316625467 942876179 /nfs/dbraw/zinc/87/61/79/942876179.db2.gz SQZLLUAQXVDKHL-GASCZTMLSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001316626118 942881354 /nfs/dbraw/zinc/88/13/54/942881354.db2.gz ZRQPTKYZPHXVNR-IYBDPMFKSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001283701992 942973068 /nfs/dbraw/zinc/97/30/68/942973068.db2.gz HKHRZDSQLSMIGU-KGLIPLIRSA-N 2 0 269.433 1.729 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001263849388 944001574 /nfs/dbraw/zinc/00/15/74/944001574.db2.gz HORMVHLWEWYOSP-MJBXVCDLSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001265116226 944236403 /nfs/dbraw/zinc/23/64/03/944236403.db2.gz PATGZRVSMBKALJ-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001265357197 944356818 /nfs/dbraw/zinc/35/68/18/944356818.db2.gz VYRBMYQDFOVPOK-CVEARBPZSA-N 2 0 291.439 1.389 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001265367653 944359970 /nfs/dbraw/zinc/35/99/70/944359970.db2.gz AWCZXGTWKLOGSZ-BPUTZDHNSA-N 2 0 291.439 1.224 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C[C@@H](F)CC)CC1 ZINC001265869902 944549526 /nfs/dbraw/zinc/54/95/26/944549526.db2.gz FBCGBAUCADEWTH-ZFWWWQNUSA-N 2 0 297.418 1.174 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001278988039 948498994 /nfs/dbraw/zinc/49/89/94/948498994.db2.gz AEQMOUMFTOZFBP-CQSZACIVSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001480228073 971637364 /nfs/dbraw/zinc/63/73/64/971637364.db2.gz SKAFTWFMDHJGGQ-FZKCQIBNSA-N 2 0 289.423 1.263 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001278573122 950217780 /nfs/dbraw/zinc/21/77/80/950217780.db2.gz WEMLGCGUYBNXRC-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001480463269 971740918 /nfs/dbraw/zinc/74/09/18/971740918.db2.gz BUPRXVVJKRSFPA-SOUVJXGZSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001480462854 971740938 /nfs/dbraw/zinc/74/09/38/971740938.db2.gz YXJNEQKYGORRED-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001324974918 953663797 /nfs/dbraw/zinc/66/37/97/953663797.db2.gz CGAAHCPGRRKFOU-KRWDZBQOSA-N 2 0 293.455 1.877 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001328342949 955268702 /nfs/dbraw/zinc/26/87/02/955268702.db2.gz QZIJUVDPKBQJGH-GJZGRUSLSA-N 2 0 279.428 1.367 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001491891359 955495286 /nfs/dbraw/zinc/49/52/86/955495286.db2.gz JKFMOGQBNGGWAI-CVEARBPZSA-N 2 0 293.455 1.759 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001493902312 972135068 /nfs/dbraw/zinc/13/50/68/972135068.db2.gz AMQZRPMKEIZSMO-QGZVFWFLSA-N 2 0 299.418 1.553 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001329460655 955928330 /nfs/dbraw/zinc/92/83/30/955928330.db2.gz RFVDVDIPCPLBLN-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001329486972 955945306 /nfs/dbraw/zinc/94/53/06/955945306.db2.gz ATJIZJPMCZKFME-ZDUSSCGKSA-N 2 0 299.378 1.503 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366212943 956641575 /nfs/dbraw/zinc/64/15/75/956641575.db2.gz ZTCCEXJBCFWTGC-AWEZNQCLSA-N 2 0 299.846 1.663 10 30 CDEERP C=CCC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001316926161 957129593 /nfs/dbraw/zinc/12/95/93/957129593.db2.gz CFRITPJZXJAVMV-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001316943236 957141617 /nfs/dbraw/zinc/14/16/17/957141617.db2.gz FACUQQHAGZFCRM-CABCVRRESA-N 2 0 299.434 1.823 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317117483 957282879 /nfs/dbraw/zinc/28/28/79/957282879.db2.gz UVNCQXIXAAZXCO-GASCZTMLSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001317127593 957290915 /nfs/dbraw/zinc/29/09/15/957290915.db2.gz KDLJIUVBNDBRCB-SOUVJXGZSA-N 2 0 281.444 1.918 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001317187174 957331384 /nfs/dbraw/zinc/33/13/84/957331384.db2.gz XSHUJQBAKRWRNR-HRCADAONSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001317192777 957332929 /nfs/dbraw/zinc/33/29/29/957332929.db2.gz NQQINRDMTUHGSE-DZGCQCFKSA-N 2 0 288.395 1.192 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317331763 957426339 /nfs/dbraw/zinc/42/63/39/957426339.db2.gz UTCYGLZTLODOHE-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317366470 957437486 /nfs/dbraw/zinc/43/74/86/957437486.db2.gz QMZFRUQWDONRRY-ZIAGYGMSSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317435274 957470054 /nfs/dbraw/zinc/47/00/54/957470054.db2.gz QVOIDFVAOLIRFF-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001332881133 957913273 /nfs/dbraw/zinc/91/32/73/957913273.db2.gz GXUWRQKPECJPSC-ZIAGYGMSSA-N 2 0 281.444 1.470 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318292850 958023414 /nfs/dbraw/zinc/02/34/14/958023414.db2.gz WJIDDITUIUPGRX-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001318428589 958103542 /nfs/dbraw/zinc/10/35/42/958103542.db2.gz KMUXWTLUCNNUOO-HZPDHXFCSA-N 2 0 293.455 1.663 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001318822087 958274103 /nfs/dbraw/zinc/27/41/03/958274103.db2.gz RCZPWDHOBGMLQO-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001319968600 958821776 /nfs/dbraw/zinc/82/17/76/958821776.db2.gz PTARHKVZMDTBSD-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001321870603 959994385 /nfs/dbraw/zinc/99/43/85/959994385.db2.gz OXQQOLHDRPXJRU-HOCLYGCPSA-N 2 0 291.439 1.511 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001324088149 961159533 /nfs/dbraw/zinc/15/95/33/961159533.db2.gz KWCKHLPCXFRKLK-CABCVRRESA-N 2 0 289.423 1.075 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N(CC[NH3+])CCc1ccccc1 ZINC001340295424 962870789 /nfs/dbraw/zinc/87/07/89/962870789.db2.gz BRKIQQIYPIHIRU-INIZCTEOSA-N 2 0 289.423 1.700 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001344081522 964229175 /nfs/dbraw/zinc/22/91/75/964229175.db2.gz MAQVFTMIUYQPTM-GJZGRUSLSA-N 2 0 297.443 1.239 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001344374078 964291305 /nfs/dbraw/zinc/29/13/05/964291305.db2.gz KJAKHJKYYPAINI-AEGPPILISA-N 2 0 265.401 1.128 10 30 CDEERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC001542887849 967252781 /nfs/dbraw/zinc/25/27/81/967252781.db2.gz YVOGISHTJNXJOP-CQSZACIVSA-N 2 0 292.427 1.211 10 30 CDEERP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@H+]2C1 ZINC001528459081 968856829 /nfs/dbraw/zinc/85/68/29/968856829.db2.gz ZVNNRRKNMNNDDN-XHSDSOJGSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001522262967 970415453 /nfs/dbraw/zinc/41/54/53/970415453.db2.gz DCSOHPGNSWRSNU-STQMWFEESA-N 2 0 253.390 1.400 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001495671141 972587100 /nfs/dbraw/zinc/58/71/00/972587100.db2.gz YVFNIPLTNSJKAO-QLFBSQMISA-N 2 0 281.444 1.635 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001495814963 972648295 /nfs/dbraw/zinc/64/82/95/972648295.db2.gz QCUZURZGRVVKOC-HZPDHXFCSA-N 2 0 293.455 1.472 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001496144316 972812890 /nfs/dbraw/zinc/81/28/90/972812890.db2.gz HDEZTXZLNDQROI-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001496645418 973008327 /nfs/dbraw/zinc/00/83/27/973008327.db2.gz UGEKCRWMNZEBOM-KBPBESRZSA-N 2 0 267.417 1.245 10 30 CDEERP C#CC[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC001496750992 973080551 /nfs/dbraw/zinc/08/05/51/973080551.db2.gz PUIVTEKALLQQQM-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001497500516 973368526 /nfs/dbraw/zinc/36/85/26/973368526.db2.gz HPQHBCXDFPWTTJ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001497728687 973480580 /nfs/dbraw/zinc/48/05/80/973480580.db2.gz BVNVMJWLCGMAIW-OAGJVSPASA-N 2 0 299.418 1.575 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001569677669 1169964493 /nfs/dbraw/zinc/96/44/93/1169964493.db2.gz DKJLOLADFZREPG-QGZVFWFLSA-N 2 0 293.455 1.875 10 30 CDEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001498189687 973733912 /nfs/dbraw/zinc/73/39/12/973733912.db2.gz FLSBTURYMHBIBO-RDJZCZTQSA-N 2 0 299.418 1.084 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001498504664 973953295 /nfs/dbraw/zinc/95/32/95/973953295.db2.gz PASAGJVTNXRCHN-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001498659542 974014899 /nfs/dbraw/zinc/01/48/99/974014899.db2.gz ZPAXTTUCLJTILR-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001499074789 974178910 /nfs/dbraw/zinc/17/89/10/974178910.db2.gz YUDKZITYONYUOI-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001499909538 974332199 /nfs/dbraw/zinc/33/21/99/974332199.db2.gz WSWRYDZGVZFRLZ-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001499954544 974343249 /nfs/dbraw/zinc/34/32/49/974343249.db2.gz DMTYGCFRWILNBZ-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001501070908 974526703 /nfs/dbraw/zinc/52/67/03/974526703.db2.gz JUXONCPNYCTMFR-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001501091133 974531353 /nfs/dbraw/zinc/53/13/53/974531353.db2.gz LFUSTKKKDXOXBS-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501647206 974615465 /nfs/dbraw/zinc/61/54/65/974615465.db2.gz DOMJDCYEYHHXTQ-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCC1 ZINC001502029389 974677080 /nfs/dbraw/zinc/67/70/80/974677080.db2.gz WIGSQBKYFIHQBY-ZIAGYGMSSA-N 2 0 279.428 1.674 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001505518376 974899320 /nfs/dbraw/zinc/89/93/20/974899320.db2.gz HHEHMLVVRSUTDJ-LMWSTFAQSA-N 2 0 299.846 1.565 10 30 CDEERP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001505920695 975044064 /nfs/dbraw/zinc/04/40/64/975044064.db2.gz RSLMMJVCVKWEAW-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507028624 975299940 /nfs/dbraw/zinc/29/99/40/975299940.db2.gz RUWRKNQSAMXYOU-GOEBONIOSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001507327256 975416955 /nfs/dbraw/zinc/41/69/55/975416955.db2.gz IRFKUMRYLDORFH-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001382300463 977240550 /nfs/dbraw/zinc/24/05/50/977240550.db2.gz BTUVGUKGXMPLMM-OLZOCXBDSA-N 2 0 287.835 1.658 10 30 CDEERP C=C(Cl)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001400977281 977259620 /nfs/dbraw/zinc/25/96/20/977259620.db2.gz ZWNCCFTVWBTVNB-UHFFFAOYSA-N 2 0 299.846 1.853 10 30 CDEERP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)CC[NH+](C)C ZINC001392506105 977464757 /nfs/dbraw/zinc/46/47/57/977464757.db2.gz SIMOCBCIDWWRAO-CYBMUJFWSA-N 2 0 288.395 1.104 10 30 CDEERP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001675343042 1174104769 /nfs/dbraw/zinc/10/47/69/1174104769.db2.gz IOLOWDSIFULAAW-HOCLYGCPSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC001677032608 1174309414 /nfs/dbraw/zinc/30/94/14/1174309414.db2.gz HHSMZCHEEBJEIY-ZIAGYGMSSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001570747240 1170267508 /nfs/dbraw/zinc/26/75/08/1170267508.db2.gz DLVHMTDUAMOYQD-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C[C@@H](CCCC)NC(=O)C12CC[NH+](CC1)C2 ZINC001570814834 1170285938 /nfs/dbraw/zinc/28/59/38/1170285938.db2.gz VFEIZKRIPVEPEC-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001571519960 1170462454 /nfs/dbraw/zinc/46/24/54/1170462454.db2.gz YYBONPMOMKNQFN-CABCVRRESA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)CC1(C)C ZINC001571558351 1170477472 /nfs/dbraw/zinc/47/74/72/1170477472.db2.gz ICDRTDHYTCBPIR-ZIAGYGMSSA-N 2 0 299.434 1.679 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001656164152 1171781939 /nfs/dbraw/zinc/78/19/39/1171781939.db2.gz NWOKBNMHUGFREQ-OAGGEKHMSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001656759433 1171873334 /nfs/dbraw/zinc/87/33/34/1171873334.db2.gz CLTXOCNAZYLONJ-HRCADAONSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000651706482 398156065 /nfs/dbraw/zinc/15/60/65/398156065.db2.gz CBTALJXHVIVTDE-BZUAXINKSA-N 2 0 265.445 1.957 10 30 CDEERP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)C(C)C ZINC000121233993 342088193 /nfs/dbraw/zinc/08/81/93/342088193.db2.gz BLKNXWJHMMXBPU-NVXWUHKLSA-N 2 0 293.455 1.943 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000594438456 342906179 /nfs/dbraw/zinc/90/61/79/342906179.db2.gz INKSFKVIWFDJSN-LSDHHAIUSA-N 2 0 292.427 1.342 10 30 CDEERP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594424672 342904102 /nfs/dbraw/zinc/90/41/02/342904102.db2.gz HXBPEZQRTQSDAJ-TZMCWYRMSA-N 2 0 268.405 1.277 10 30 CDEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(C#N)s1 ZINC000594965098 342990633 /nfs/dbraw/zinc/99/06/33/342990633.db2.gz OFLUIDYGRCBHMS-ZDUSSCGKSA-N 2 0 294.468 1.981 10 30 CDEERP C[N@@H+]1CC[C@]2(CCN(Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000366492889 363594635 /nfs/dbraw/zinc/59/46/35/363594635.db2.gz WLFFJNMSGKMFAH-KRWDZBQOSA-N 2 0 295.390 1.734 10 30 CDEERP CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246580351 360889689 /nfs/dbraw/zinc/88/96/89/360889689.db2.gz FJQCDUSKBUWLES-QLFBSQMISA-N 2 0 294.443 1.409 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529308430 368072361 /nfs/dbraw/zinc/07/23/61/368072361.db2.gz QZGHBYYJCPGGPJ-AWEZNQCLSA-N 2 0 292.427 1.221 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001661740277 1172438573 /nfs/dbraw/zinc/43/85/73/1172438573.db2.gz YDIBTRSNMPOUKT-LSDHHAIUSA-N 2 0 281.444 1.587 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001662503871 1172555394 /nfs/dbraw/zinc/55/53/94/1172555394.db2.gz MLLRDZRPTIWLDP-ZDUSSCGKSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001662631289 1172572779 /nfs/dbraw/zinc/57/27/79/1172572779.db2.gz WLWMGQMPJMLUBT-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC([C@@H](C)[NH3+])CC2)CCC[NH2+]1 ZINC000662409342 412978199 /nfs/dbraw/zinc/97/81/99/412978199.db2.gz IFKSBTHMVSITKP-IUODEOHRSA-N 2 0 265.401 1.271 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001663201338 1172654803 /nfs/dbraw/zinc/65/48/03/1172654803.db2.gz PXWQQGWCBCJTFR-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[NH+](C3CCCC3)CC2)CCC[NH2+]1 ZINC000662673855 413289782 /nfs/dbraw/zinc/28/97/82/413289782.db2.gz TVDKVARBFFHBES-QGZVFWFLSA-N 2 0 291.439 1.772 10 30 CDEERP C=CC[C@]1(C(=O)NC2CC[NH+](CC3CC3)CC2)CCC[NH2+]1 ZINC000662682247 413305750 /nfs/dbraw/zinc/30/57/50/413305750.db2.gz PDRYAKIQXMDUIK-QGZVFWFLSA-N 2 0 291.439 1.675 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCC[NH2+]1 ZINC000662688288 413316526 /nfs/dbraw/zinc/31/65/26/413316526.db2.gz NTXMNZWAWOXYJQ-OFQRWUPVSA-N 2 0 277.412 1.428 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001664811900 1172915473 /nfs/dbraw/zinc/91/54/73/1172915473.db2.gz KEPIANLJRZVAAC-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000662729795 413392875 /nfs/dbraw/zinc/39/28/75/413392875.db2.gz XNKISAWNGCNFPD-RDJZCZTQSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001665658952 1173033659 /nfs/dbraw/zinc/03/36/59/1173033659.db2.gz GOEQITDPCJUVTB-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662701755 424342227 /nfs/dbraw/zinc/34/22/27/424342227.db2.gz UXBJEWMAQOVGOJ-WBVHZDCISA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001667508242 1173278835 /nfs/dbraw/zinc/27/88/35/1173278835.db2.gz HKCSGFBXOZDYNL-GJZGRUSLSA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001668517095 1173420546 /nfs/dbraw/zinc/42/05/46/1173420546.db2.gz LTSQYXYUFLKLCK-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001673391125 1173852112 /nfs/dbraw/zinc/85/21/12/1173852112.db2.gz LLHCJRIBEDPLMT-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC)CC1 ZINC001673958491 1173902589 /nfs/dbraw/zinc/90/25/89/1173902589.db2.gz CJDBFIRZPODKRU-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001691922825 1159156155 /nfs/dbraw/zinc/15/61/55/1159156155.db2.gz SWASSFNOPUUDMW-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N[C@H]1CC1(C)C ZINC000262205839 330004113 /nfs/dbraw/zinc/00/41/13/330004113.db2.gz IBVWVXFBRLXODD-KGLIPLIRSA-N 2 0 296.459 1.307 10 30 CDEERP C[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000262451079 330013986 /nfs/dbraw/zinc/01/39/86/330013986.db2.gz JWLIKZNGKPGPLZ-KGLIPLIRSA-N 2 0 282.432 1.142 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000424297257 330336372 /nfs/dbraw/zinc/33/63/72/330336372.db2.gz QAEQSRUDKAENBD-XQLPTFJDSA-N 2 0 252.402 1.897 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001671369400 1159178075 /nfs/dbraw/zinc/17/80/75/1159178075.db2.gz WRGMRBMEJIXQNW-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001731372339 1159292874 /nfs/dbraw/zinc/29/28/74/1159292874.db2.gz LGAGFUGNWOOTSZ-QWHCGFSZSA-N 2 0 271.380 1.043 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699403408 1176368612 /nfs/dbraw/zinc/36/86/12/1176368612.db2.gz WULLQUCUBNWKFQ-KBPBESRZSA-N 2 0 267.417 1.530 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001733052569 1160470606 /nfs/dbraw/zinc/47/06/06/1160470606.db2.gz DPIJLVBGHAGJFT-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714002966 1178921535 /nfs/dbraw/zinc/92/15/35/1178921535.db2.gz PROHZWHECHADII-BETUJISGSA-N 2 0 265.401 1.141 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001734355269 1183745293 /nfs/dbraw/zinc/74/52/93/1183745293.db2.gz CNMCVUKDVQKPPX-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C[C@@H](C[C@@](C)(N)C#N)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000068615389 524849062 /nfs/dbraw/zinc/84/90/62/524849062.db2.gz LBXDLBZJBCKFKO-GOEBONIOSA-N 2 0 278.444 1.814 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001688903241 1175062876 /nfs/dbraw/zinc/06/28/76/1175062876.db2.gz AHAGRPVGCKRZFV-XHSDSOJGSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001688947722 1175075866 /nfs/dbraw/zinc/07/58/66/1175075866.db2.gz MVMKRLVKAZWTQJ-WKILWMFISA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001689809599 1175268804 /nfs/dbraw/zinc/26/88/04/1175268804.db2.gz AZXKEQZJPFHCCP-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939547833 613386212 /nfs/dbraw/zinc/38/62/12/613386212.db2.gz ZXBOPYOPONUMHB-WCQYABFASA-N 2 0 297.830 1.271 10 30 CDEERP C#C[C@@](C)(CC)[NH2+][C@@H](C)CNC(=O)C[NH2+][C@](C)(C#C)CC ZINC000930601778 617464358 /nfs/dbraw/zinc/46/43/58/617464358.db2.gz WNUBXDOTBANTAA-UAGQMJEPSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000900794496 623493331 /nfs/dbraw/zinc/49/33/31/623493331.db2.gz XFJSLQSSLYZIMS-HNNXBMFYSA-N 2 0 279.428 1.439 10 30 CDEERP N#CC1CCC(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000903458574 625994497 /nfs/dbraw/zinc/99/44/97/625994497.db2.gz DNPBGNAENUFLCX-RUXDESIVSA-N 2 0 251.374 1.366 10 30 CDEERP N#CCCN1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903937234 626155121 /nfs/dbraw/zinc/15/51/21/626155121.db2.gz FVBMQZXATVGAFT-GOOCMWNKSA-N 2 0 262.401 1.048 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001691114381 1158916871 /nfs/dbraw/zinc/91/68/71/1158916871.db2.gz HXEXYORGSSNPMA-QLFBSQMISA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001691166025 1158941717 /nfs/dbraw/zinc/94/17/17/1158941717.db2.gz KOVPKYCQJXLSOR-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001670544490 1158635441 /nfs/dbraw/zinc/63/54/41/1158635441.db2.gz MDRNIRCHFQXMTL-HOCLYGCPSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001691345832 1159028507 /nfs/dbraw/zinc/02/85/07/1159028507.db2.gz KIUUIWZJMOWPQY-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001496487053 1159925988 /nfs/dbraw/zinc/92/59/88/1159925988.db2.gz KHNHCMZHVPKJEH-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000876737392 1165905545 /nfs/dbraw/zinc/90/55/45/1165905545.db2.gz SPTRZBKIDWGGHN-AWEZNQCLSA-N 2 0 295.814 1.705 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001637612116 1166773753 /nfs/dbraw/zinc/77/37/53/1166773753.db2.gz IVFYEHSXQQTTLW-OLZOCXBDSA-N 2 0 253.390 1.045 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001566779099 1168417304 /nfs/dbraw/zinc/41/73/04/1168417304.db2.gz MFUMFQXUCSYXFT-KRWDZBQOSA-N 2 0 299.418 1.576 10 30 CDEERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001566802871 1168428367 /nfs/dbraw/zinc/42/83/67/1168428367.db2.gz HGRMJGBHAZNJOB-QAQDUYKDSA-N 2 0 299.418 1.227 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001569504477 1169903478 /nfs/dbraw/zinc/90/34/78/1169903478.db2.gz OWAQRGFIXIEJGC-CABCVRRESA-N 2 0 293.455 1.826 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001570363541 1170143015 /nfs/dbraw/zinc/14/30/15/1170143015.db2.gz CRIKZZUCFXMQTD-KBPBESRZSA-N 2 0 267.417 1.339 10 30 CDEERP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001570534305 1170182248 /nfs/dbraw/zinc/18/22/48/1170182248.db2.gz GTHHXLWHCIISLC-HUUCEWRRSA-N 2 0 279.428 1.273 10 30 CDEERP C#CC[NH+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001661723867 1172436006 /nfs/dbraw/zinc/43/60/06/1172436006.db2.gz RHQYSUIKDXCYGD-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001664036695 1172803224 /nfs/dbraw/zinc/80/32/24/1172803224.db2.gz QTVRXGHYJDLMHH-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001667216720 1173245859 /nfs/dbraw/zinc/24/58/59/1173245859.db2.gz KFBCIKILBXOCMU-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001667764499 1173323512 /nfs/dbraw/zinc/32/35/12/1173323512.db2.gz QHUQGBZKSLRGNG-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001669811996 1173612725 /nfs/dbraw/zinc/61/27/25/1173612725.db2.gz SQGBAMPJIXLXHM-CQSZACIVSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001669844903 1173619133 /nfs/dbraw/zinc/61/91/33/1173619133.db2.gz HJUSYOLPUSQATQ-ZDUSSCGKSA-N 2 0 299.378 1.503 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001672208947 1173752285 /nfs/dbraw/zinc/75/22/85/1173752285.db2.gz JZBMPGSMZVKHLD-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001675478905 1174119252 /nfs/dbraw/zinc/11/92/52/1174119252.db2.gz FIUXLYWQDLSXDD-KGLIPLIRSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001690360510 1175448931 /nfs/dbraw/zinc/44/89/31/1175448931.db2.gz OLKMPQXAZDRHFM-GASCZTMLSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001690874980 1175597414 /nfs/dbraw/zinc/59/74/14/1175597414.db2.gz XYJAJGYPJMMZEA-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001698619251 1175875341 /nfs/dbraw/zinc/87/53/41/1175875341.db2.gz MEBBIWXOOBGKQV-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001698861618 1175968932 /nfs/dbraw/zinc/96/89/32/1175968932.db2.gz QZMQINLWYUGLBE-CYBMUJFWSA-N 2 0 255.406 1.339 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001698910727 1175983445 /nfs/dbraw/zinc/98/34/45/1175983445.db2.gz ZXYSTMPQEGTNPO-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001698935096 1175988501 /nfs/dbraw/zinc/98/85/01/1175988501.db2.gz MTFLZJLDTAGGMS-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001698969026 1175999838 /nfs/dbraw/zinc/99/98/38/1175999838.db2.gz VHFQPBNQNKBAGC-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001699028347 1176049008 /nfs/dbraw/zinc/04/90/08/1176049008.db2.gz OEOYSKBRAHMXKH-HZPDHXFCSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001699218002 1176145656 /nfs/dbraw/zinc/14/56/56/1176145656.db2.gz ZJVQYKVFQLZVAR-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001699663329 1176557616 /nfs/dbraw/zinc/55/76/16/1176557616.db2.gz MFXSOXOLNBZNOU-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001699666063 1176559669 /nfs/dbraw/zinc/55/96/69/1176559669.db2.gz OTPBLIRSPGWIPX-CABCVRRESA-N 2 0 289.423 1.265 10 30 CDEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001700090008 1176744573 /nfs/dbraw/zinc/74/45/73/1176744573.db2.gz HYQMVALQXPVSFY-KRWDZBQOSA-N 2 0 299.418 1.462 10 30 CDEERP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001700623732 1177039656 /nfs/dbraw/zinc/03/96/56/1177039656.db2.gz NZORMNIIGUXTOJ-CALCHBBNSA-N 2 0 293.455 1.685 10 30 CDEERP C#CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001700888923 1177179853 /nfs/dbraw/zinc/17/98/53/1177179853.db2.gz RPGLOKREWZBCNK-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001700890562 1177181839 /nfs/dbraw/zinc/18/18/39/1177181839.db2.gz WTQFUOWHBZZRSM-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001700905651 1177190391 /nfs/dbraw/zinc/19/03/91/1177190391.db2.gz SZCSUPDQURDZMH-HOTGVXAUSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001707276955 1177989047 /nfs/dbraw/zinc/98/90/47/1177989047.db2.gz RJSMLXISCVRYKI-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001713098377 1178366197 /nfs/dbraw/zinc/36/61/97/1178366197.db2.gz MJASXIPEIICKAO-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001713292024 1178469750 /nfs/dbraw/zinc/46/97/50/1178469750.db2.gz FXHQXYKLTDECDJ-UHFFFAOYSA-N 2 0 277.412 1.123 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001713310572 1178488519 /nfs/dbraw/zinc/48/85/19/1178488519.db2.gz XJXXUTGMCUIPOO-KBPBESRZSA-N 2 0 267.417 1.530 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001713351783 1178515472 /nfs/dbraw/zinc/51/54/72/1178515472.db2.gz LYZGYCPTIDXPDF-JYJNAYRXSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001713518011 1178620397 /nfs/dbraw/zinc/62/03/97/1178620397.db2.gz TYPMSFSEJWIEKP-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001713651916 1178696532 /nfs/dbraw/zinc/69/65/32/1178696532.db2.gz NKNLOUQCQWIPMX-UHFFFAOYSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001713740563 1178731544 /nfs/dbraw/zinc/73/15/44/1178731544.db2.gz VKHJCGFIQLLLDE-OAHLLOKOSA-N 2 0 279.428 1.487 10 30 CDEERP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ccnc1 ZINC001714119498 1178981917 /nfs/dbraw/zinc/98/19/17/1178981917.db2.gz IQAIZZCHJCJBOK-CQSZACIVSA-N 2 0 276.384 1.430 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001714135206 1178987614 /nfs/dbraw/zinc/98/76/14/1178987614.db2.gz VZGJJOLMNAMUPI-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001714278987 1179062285 /nfs/dbraw/zinc/06/22/85/1179062285.db2.gz QRHXRDOXYDKJSK-CQSZACIVSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001714583206 1179240466 /nfs/dbraw/zinc/24/04/66/1179240466.db2.gz JCBCVULCASGXAS-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001714757443 1179379597 /nfs/dbraw/zinc/37/95/97/1179379597.db2.gz XZJQWMRGROUUQG-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714945310 1179469681 /nfs/dbraw/zinc/46/96/81/1179469681.db2.gz OASVYLLHLXEJAO-HUUCEWRRSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001715114003 1179557138 /nfs/dbraw/zinc/55/71/38/1179557138.db2.gz YHWYVATYJWWGCW-UNEWFSDZSA-N 2 0 293.455 1.777 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001715449974 1179669744 /nfs/dbraw/zinc/66/97/44/1179669744.db2.gz ZEXUSDWBQCFMAD-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001715476871 1179677194 /nfs/dbraw/zinc/67/71/94/1179677194.db2.gz PRQDQLFYMYEXPN-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001716071366 1180031417 /nfs/dbraw/zinc/03/14/17/1180031417.db2.gz MOFAAHFTKVHZQB-HZPDHXFCSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001716549964 1180280036 /nfs/dbraw/zinc/28/00/36/1180280036.db2.gz NONJRLUZQTUXEX-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1CC ZINC001716638609 1180316846 /nfs/dbraw/zinc/31/68/46/1180316846.db2.gz CHEUKFWJZGMQRE-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001716667170 1180354021 /nfs/dbraw/zinc/35/40/21/1180354021.db2.gz VQEXOXXVPXUXBX-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001716790479 1180416287 /nfs/dbraw/zinc/41/62/87/1180416287.db2.gz DGFDJKOWLOQOIM-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001716798452 1180418570 /nfs/dbraw/zinc/41/85/70/1180418570.db2.gz UTFWVAUTTYWZMW-CYBMUJFWSA-N 2 0 290.411 1.745 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001716850839 1180440744 /nfs/dbraw/zinc/44/07/44/1180440744.db2.gz RNTPCWZJKGKMFQ-MRXNPFEDSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001717110168 1180532545 /nfs/dbraw/zinc/53/25/45/1180532545.db2.gz BXGFPNAYSKBTMZ-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CCCC1 ZINC001717117558 1180534283 /nfs/dbraw/zinc/53/42/83/1180534283.db2.gz VZHOVZLSAPWFBT-UHFFFAOYSA-N 2 0 299.418 1.464 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001717202025 1180569696 /nfs/dbraw/zinc/56/96/96/1180569696.db2.gz MVHITIOJACVYQF-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)CCC)CC1 ZINC001717215838 1180579803 /nfs/dbraw/zinc/57/98/03/1180579803.db2.gz YNPSRHMSOFMAFX-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001717297751 1180609054 /nfs/dbraw/zinc/60/90/54/1180609054.db2.gz HDVBJPKKVDCMPF-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001717394504 1180646299 /nfs/dbraw/zinc/64/62/99/1180646299.db2.gz NPAHNWXSBGESGP-GPANFISMSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[N@@H+](C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001717478071 1180695352 /nfs/dbraw/zinc/69/53/52/1180695352.db2.gz KXUALUREBHAOBX-CYBMUJFWSA-N 2 0 298.390 1.716 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001717530948 1180725006 /nfs/dbraw/zinc/72/50/06/1180725006.db2.gz ZRZBQKMWPHNIPV-OWCLPIDISA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001717686385 1180791355 /nfs/dbraw/zinc/79/13/55/1180791355.db2.gz BHSCIQGVPZQQCW-CVEARBPZSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717731012 1180814556 /nfs/dbraw/zinc/81/45/56/1180814556.db2.gz HSURISHPFAZSLS-FVQBIDKESA-N 2 0 293.455 1.729 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001717752315 1180829259 /nfs/dbraw/zinc/82/92/59/1180829259.db2.gz LZJVZKUXJBGKRD-HOCLYGCPSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001717841720 1180889656 /nfs/dbraw/zinc/88/96/56/1180889656.db2.gz URRIVVBFMDXPGQ-WBVHZDCISA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001717884079 1180912128 /nfs/dbraw/zinc/91/21/28/1180912128.db2.gz HAFNLUGAWIZPQC-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001724213346 1181655182 /nfs/dbraw/zinc/65/51/82/1181655182.db2.gz FRIPHTUQQDCLBB-WBVHZDCISA-N 2 0 291.439 1.342 10 30 CDEERP C#CCC[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001725266105 1181943884 /nfs/dbraw/zinc/94/38/84/1181943884.db2.gz GMZPTXJNWYGPKH-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001725327076 1181962457 /nfs/dbraw/zinc/96/24/57/1181962457.db2.gz KZOOHKWRCRFIFZ-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001725364859 1181976520 /nfs/dbraw/zinc/97/65/20/1181976520.db2.gz VVLGMOZNTOLMMH-HDJSIYSDSA-N 2 0 279.428 1.082 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725398063 1181987863 /nfs/dbraw/zinc/98/78/63/1181987863.db2.gz KKSPRSCKWUEIND-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001725421413 1181995863 /nfs/dbraw/zinc/99/58/63/1181995863.db2.gz VAUGQLDVYDIDJH-UHFFFAOYSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001725520022 1182034452 /nfs/dbraw/zinc/03/44/52/1182034452.db2.gz NBBRJYXUNATVIO-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001725595843 1182067108 /nfs/dbraw/zinc/06/71/08/1182067108.db2.gz PRVZGXJHIAQFLX-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001725663125 1182090346 /nfs/dbraw/zinc/09/03/46/1182090346.db2.gz SNIQXTMFHQERAI-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001731394427 1182357584 /nfs/dbraw/zinc/35/75/84/1182357584.db2.gz WXRMOEHARUZPLN-CVEARBPZSA-N 2 0 291.439 1.389 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001731446498 1182391620 /nfs/dbraw/zinc/39/16/20/1182391620.db2.gz BOMDPFCIFAELLL-HDJSIYSDSA-N 2 0 291.439 1.509 10 30 CDEERP C=CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001731543369 1182442870 /nfs/dbraw/zinc/44/28/70/1182442870.db2.gz KMKBEEWUNCQGSI-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001732077891 1182755338 /nfs/dbraw/zinc/75/53/38/1182755338.db2.gz HNZQDSOGZNOMOF-MRXNPFEDSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCC[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001732135980 1182793651 /nfs/dbraw/zinc/79/36/51/1182793651.db2.gz GSJRJUMEHWJDQO-UHFFFAOYSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001732458628 1182976903 /nfs/dbraw/zinc/97/69/03/1182976903.db2.gz GDDJMCNJFGNXGU-HOTGVXAUSA-N 2 0 293.455 1.635 10 30 CDEERP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001732542392 1183001724 /nfs/dbraw/zinc/00/17/24/1183001724.db2.gz YUWKYVGQKLKEFX-GOEBONIOSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001732705965 1183094542 /nfs/dbraw/zinc/09/45/42/1183094542.db2.gz JJGQZTHCLDLNJG-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001733184621 1183321625 /nfs/dbraw/zinc/32/16/25/1183321625.db2.gz MHTKVEOMXXHHFH-MRXNPFEDSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH+]1CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001733219701 1183347072 /nfs/dbraw/zinc/34/70/72/1183347072.db2.gz PQDLGMSNTQFNEQ-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001733264946 1183376978 /nfs/dbraw/zinc/37/69/78/1183376978.db2.gz IVIOHRQSJVRJCK-HNNXBMFYSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001733866816 1183555008 /nfs/dbraw/zinc/55/50/08/1183555008.db2.gz LJEVQURJUNYFSF-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001733938118 1183575515 /nfs/dbraw/zinc/57/55/15/1183575515.db2.gz NUKHVKCDGFVVSF-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001733950608 1183581911 /nfs/dbraw/zinc/58/19/11/1183581911.db2.gz ZSZWSSUEPCBFJH-UHFFFAOYSA-N 2 0 291.439 1.533 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001734001989 1183610546 /nfs/dbraw/zinc/61/05/46/1183610546.db2.gz PFDPJJUIUHTUBO-CHWSQXEVSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001734120152 1183666982 /nfs/dbraw/zinc/66/69/82/1183666982.db2.gz NHZFSFQZGLCXMM-CYBMUJFWSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001734408383 1183766722 /nfs/dbraw/zinc/76/67/22/1183766722.db2.gz OLJURWAMFGNACY-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC1(C)C ZINC001734507873 1183803403 /nfs/dbraw/zinc/80/34/03/1183803403.db2.gz LEPFJSYQFHELPY-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001566814025 1168431382 /nfs/dbraw/zinc/43/13/82/1168431382.db2.gz VQCHOYJWPBJLNB-AJNGGQMLSA-N 2 0 277.412 1.119 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001120811139 912552033 /nfs/dbraw/zinc/55/20/33/912552033.db2.gz XYGIJUKQNZSNTR-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001266362616 894568879 /nfs/dbraw/zinc/56/88/79/894568879.db2.gz NMQSQPWSRIDTOK-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001266431075 894841111 /nfs/dbraw/zinc/84/11/11/894841111.db2.gz JTDZKJSSSHCASY-HNNXBMFYSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001266533592 895255720 /nfs/dbraw/zinc/25/57/20/895255720.db2.gz MTGXIRYONLXTQP-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001266550689 895325162 /nfs/dbraw/zinc/32/51/62/895325162.db2.gz BOCNXURCENPFDU-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP CN(C)C(=[NH+]CC[N@H+](C)C1CCCCC1)N(C)C ZINC000261974589 896346480 /nfs/dbraw/zinc/34/64/80/896346480.db2.gz FGVSJORAKMUEIB-UHFFFAOYSA-N 2 0 254.422 1.730 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001267070348 896686177 /nfs/dbraw/zinc/68/61/77/896686177.db2.gz LJTLTORQCRQSMT-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480975619 898419863 /nfs/dbraw/zinc/41/98/63/898419863.db2.gz XQPMMEDBYXQABV-OAHLLOKOSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001481196746 899113536 /nfs/dbraw/zinc/11/35/36/899113536.db2.gz OPAXPHVHMSZWJL-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001267691431 899289912 /nfs/dbraw/zinc/28/99/12/899289912.db2.gz YIROLPTVPKEOTQ-INIZCTEOSA-N 2 0 291.439 1.132 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001481245557 899624700 /nfs/dbraw/zinc/62/47/00/899624700.db2.gz JWCPHTPYJQOAJM-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267792327 899739956 /nfs/dbraw/zinc/73/99/56/899739956.db2.gz YGCMJWXFSHJRQR-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001267826840 899825590 /nfs/dbraw/zinc/82/55/90/899825590.db2.gz CNFVZIVMLHTSEV-STQMWFEESA-N 2 0 255.406 1.243 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268002349 900250685 /nfs/dbraw/zinc/25/06/85/900250685.db2.gz VNDIKXONJMQJGZ-ZIAGYGMSSA-N 2 0 269.433 1.491 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268104867 901300719 /nfs/dbraw/zinc/30/07/19/901300719.db2.gz KHAMFFJRPRMXNY-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001268288102 901753677 /nfs/dbraw/zinc/75/36/77/901753677.db2.gz BFVSFERSZWZURO-CABCVRRESA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001279328932 902039085 /nfs/dbraw/zinc/03/90/85/902039085.db2.gz MZCRZDFNHFLSLZ-GPANFISMSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001269071064 903399136 /nfs/dbraw/zinc/39/91/36/903399136.db2.gz BCNXYDNBACKADU-BPLDGKMQSA-N 2 0 279.428 1.387 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cncc2C)C1 ZINC001269338734 903713973 /nfs/dbraw/zinc/71/39/73/903713973.db2.gz GRPUEWIBPKPBMK-OAHLLOKOSA-N 2 0 290.411 1.690 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001269737697 904075308 /nfs/dbraw/zinc/07/53/08/904075308.db2.gz LKRVOWJRCFKCKR-BZUAXINKSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001270166266 904410743 /nfs/dbraw/zinc/41/07/43/904410743.db2.gz USNPXQKYZKSZAF-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC001270776938 905035192 /nfs/dbraw/zinc/03/51/92/905035192.db2.gz ISEIRRMAYXLXFM-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001270992147 905527821 /nfs/dbraw/zinc/52/78/21/905527821.db2.gz SFHRHYWYKGJTRN-HNNXBMFYSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[N@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001270991323 905532093 /nfs/dbraw/zinc/53/20/93/905532093.db2.gz NQGOIKHNPPCXJD-QGZVFWFLSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001271068891 905612645 /nfs/dbraw/zinc/61/26/45/905612645.db2.gz USZWWXOXJCKVLW-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001482460774 905696784 /nfs/dbraw/zinc/69/67/84/905696784.db2.gz DUPKNPHWMJWMEQ-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)CC[NH+]1CCCCC1 ZINC001271318316 906248625 /nfs/dbraw/zinc/24/86/25/906248625.db2.gz RWFFBBUIOZDHCF-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001271676581 906588896 /nfs/dbraw/zinc/58/88/96/906588896.db2.gz JADCJSPRCKKTSC-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001482831831 908410301 /nfs/dbraw/zinc/41/03/01/908410301.db2.gz APQAKKJVNDBCMM-SOUVJXGZSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483056197 909183835 /nfs/dbraw/zinc/18/38/35/909183835.db2.gz GIDLONJYDIISOA-HSBSLETESA-N 2 0 267.417 1.411 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001483448659 911131498 /nfs/dbraw/zinc/13/14/98/911131498.db2.gz XJXHNMGYEMFZLU-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001493551821 915287736 /nfs/dbraw/zinc/28/77/36/915287736.db2.gz UQLAXAFEHUZDBP-RRFJBIMHSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001484093777 915427641 /nfs/dbraw/zinc/42/76/41/915427641.db2.gz KQWLTIXQYQPLBM-UXLLHSPISA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001484347151 915658181 /nfs/dbraw/zinc/65/81/81/915658181.db2.gz NBGOHXBXPDHZEV-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001484727522 916085995 /nfs/dbraw/zinc/08/59/95/916085995.db2.gz SUSWQMNUDOWDBL-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485076934 916474896 /nfs/dbraw/zinc/47/48/96/916474896.db2.gz LNJBSWSUCGGEHG-HZPDHXFCSA-N 2 0 293.455 1.519 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485197034 916642635 /nfs/dbraw/zinc/64/26/35/916642635.db2.gz CFOFBBIHXUQZNJ-ZIAGYGMSSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001485252880 916695728 /nfs/dbraw/zinc/69/57/28/916695728.db2.gz RPIQOZQGZGVTAH-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001485618651 917130826 /nfs/dbraw/zinc/13/08/26/917130826.db2.gz KYOYMRSVIUXQCG-QKDCVEJESA-N 2 0 293.455 1.444 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001485651790 917151737 /nfs/dbraw/zinc/15/17/37/917151737.db2.gz YHASITICNBLBJT-HUUCEWRRSA-N 2 0 297.443 1.108 10 30 CDEERP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@H]2C1 ZINC001485656962 917164235 /nfs/dbraw/zinc/16/42/35/917164235.db2.gz HEKUMASHKWKJOE-HRCADAONSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001485821426 918082030 /nfs/dbraw/zinc/08/20/30/918082030.db2.gz ZYQFRAWQXXJGRU-HUUCEWRRSA-N 2 0 279.428 1.483 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001486392361 920976238 /nfs/dbraw/zinc/97/62/38/920976238.db2.gz ZHNHOGLYVMTOAS-KBPBESRZSA-N 2 0 279.428 1.224 10 30 CDEERP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC000923494132 923883095 /nfs/dbraw/zinc/88/30/95/923883095.db2.gz VWLSTVOOFWIYBL-UHOFOFEASA-N 2 0 273.380 1.508 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001568397504 1169272098 /nfs/dbraw/zinc/27/20/98/1169272098.db2.gz ZYCYUUQPNKPTAQ-HNNXBMFYSA-N 2 0 289.423 1.076 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC)[NH+](C)C ZINC001489047715 926775661 /nfs/dbraw/zinc/77/56/61/926775661.db2.gz DGIDYAKZCJRARJ-ILXRZTDVSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001568450931 1169294605 /nfs/dbraw/zinc/29/46/05/1169294605.db2.gz FPTWPVMOWMTYNO-CABCVRRESA-N 2 0 279.428 1.223 10 30 CDEERP C#CCC[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001490389510 927143658 /nfs/dbraw/zinc/14/36/58/927143658.db2.gz AMTPVBKKCPWHIJ-UHFFFAOYSA-N 2 0 289.423 1.076 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001490777850 927340678 /nfs/dbraw/zinc/34/06/78/927340678.db2.gz TUHRAUXVJUBNKY-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001318559580 931021038 /nfs/dbraw/zinc/02/10/38/931021038.db2.gz WRJZPWASJLZCBQ-OAHLLOKOSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001274411991 931497926 /nfs/dbraw/zinc/49/79/26/931497926.db2.gz BYQWGOIXDFOORF-KXPUMZMLSA-N 2 0 291.439 1.536 10 30 CDEERP CC#CC[NH2+]C1CCC(N(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001275632992 931918352 /nfs/dbraw/zinc/91/83/52/931918352.db2.gz SQJBEEMSOVGUFX-UHFFFAOYSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001276100021 932525912 /nfs/dbraw/zinc/52/59/12/932525912.db2.gz VRJDABKBSNXXPP-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[C@H](CO)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925627809 932917895 /nfs/dbraw/zinc/91/78/95/932917895.db2.gz ABPLQIZDZAYANB-CWRNSKLLSA-N 2 0 266.429 1.929 10 30 CDEERP C=CCCC[N@@H+](CC)CC(=O)NC1CC[NH+](C)CC1 ZINC000934648364 933963664 /nfs/dbraw/zinc/96/36/64/933963664.db2.gz YOJHOVIFPPATFJ-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001276334332 935017612 /nfs/dbraw/zinc/01/76/12/935017612.db2.gz NXTHXOPKSLSVKT-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]([NH3+])CCCCC#N ZINC000720886437 935266051 /nfs/dbraw/zinc/26/60/51/935266051.db2.gz GTFUDZOXCSDHJW-BFHYXJOUSA-N 2 0 278.400 1.093 10 30 CDEERP C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001568703781 1169439660 /nfs/dbraw/zinc/43/96/60/1169439660.db2.gz VGACMERLVJVDAP-RDJZCZTQSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001280769677 942484773 /nfs/dbraw/zinc/48/47/73/942484773.db2.gz JJIKQBNRGDMZOB-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001282215066 942679619 /nfs/dbraw/zinc/67/96/19/942679619.db2.gz PLXGMJHYKIPOCP-ZIAGYGMSSA-N 2 0 279.428 1.223 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001282397328 942704116 /nfs/dbraw/zinc/70/41/16/942704116.db2.gz DCLJZTTUGCEWSI-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)C ZINC001283463439 942903408 /nfs/dbraw/zinc/90/34/08/942903408.db2.gz NCKOHDZIXQJPPJ-WBVHZDCISA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001316628417 942938479 /nfs/dbraw/zinc/93/84/79/942938479.db2.gz MWNAUJMLXNZJGA-VGWMRTNUSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001283701994 942972753 /nfs/dbraw/zinc/97/27/53/942972753.db2.gz HKHRZDSQLSMIGU-UONOGXRCSA-N 2 0 269.433 1.729 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001284348392 943153531 /nfs/dbraw/zinc/15/35/31/943153531.db2.gz KCWNIQAIAYZDRX-ZDUSSCGKSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001263250972 943807004 /nfs/dbraw/zinc/80/70/04/943807004.db2.gz WJWYZUFWCMJDRV-MNOVXSKESA-N 2 0 259.781 1.105 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001263864519 944011844 /nfs/dbraw/zinc/01/18/44/944011844.db2.gz WHUWDZUIJATYEX-HDJSIYSDSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001264363499 944112943 /nfs/dbraw/zinc/11/29/43/944112943.db2.gz JSRCKGCUAOBLJZ-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001264376954 944119413 /nfs/dbraw/zinc/11/94/13/944119413.db2.gz RHBHMULJVYLHHJ-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001264484833 944140329 /nfs/dbraw/zinc/14/03/29/944140329.db2.gz ANCPIAUWOOGBAN-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001265092535 944227825 /nfs/dbraw/zinc/22/78/25/944227825.db2.gz RZQCEBYYJXLUPK-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001265230567 944288244 /nfs/dbraw/zinc/28/82/44/944288244.db2.gz HYQPPPBMVYGRAC-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001265430853 944385557 /nfs/dbraw/zinc/38/55/57/944385557.db2.gz KYIHEJHWYIGCPR-JKSUJKDBSA-N 2 0 291.439 1.485 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265433733 944386604 /nfs/dbraw/zinc/38/66/04/944386604.db2.gz ICQJGJXLXGZPJA-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001265492597 944407893 /nfs/dbraw/zinc/40/78/93/944407893.db2.gz UMNIZRISQNSFCG-AJNGGQMLSA-N 2 0 279.428 1.530 10 30 CDEERP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001265654411 944459619 /nfs/dbraw/zinc/45/96/19/944459619.db2.gz UEZJUJPHKLGAEF-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001265711686 944477991 /nfs/dbraw/zinc/47/79/91/944477991.db2.gz NQBIDJNFUVWDEQ-AALSBFMBSA-N 2 0 291.439 1.482 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001277987389 944522343 /nfs/dbraw/zinc/52/23/43/944522343.db2.gz HZNUCPICFNIYAT-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)CCC)CC1 ZINC001279163943 944783375 /nfs/dbraw/zinc/78/33/75/944783375.db2.gz IWCDPMCESFWIKJ-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001278324094 946152664 /nfs/dbraw/zinc/15/26/64/946152664.db2.gz CICQKHNLSJXSCC-QWHCGFSZSA-N 2 0 253.390 1.092 10 30 CDEERP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001479250522 971275109 /nfs/dbraw/zinc/27/51/09/971275109.db2.gz UDOCPEDIFFOSJY-OAHLLOKOSA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001479528030 971338010 /nfs/dbraw/zinc/33/80/10/971338010.db2.gz YEYYVDVIHLEUQL-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001278410689 947757564 /nfs/dbraw/zinc/75/75/64/947757564.db2.gz PFAIWJQWYKWFDQ-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001279012919 948586047 /nfs/dbraw/zinc/58/60/47/948586047.db2.gz STBDQKKSMHKUQH-LSDHHAIUSA-N 2 0 291.439 1.627 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001480168814 971611063 /nfs/dbraw/zinc/61/10/63/971611063.db2.gz ZLNVAPKXJFTEOE-JOCQHMNTSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001480173215 971612414 /nfs/dbraw/zinc/61/24/14/971612414.db2.gz BPACSRXCIQAPLM-BIQWYFBQSA-N 2 0 279.428 1.672 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC001278662874 951222970 /nfs/dbraw/zinc/22/29/70/951222970.db2.gz VHGSUOSCXIAICO-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCOCC1 ZINC001278728927 951944028 /nfs/dbraw/zinc/94/40/28/951944028.db2.gz XNTBJQKUGGELGX-CQSZACIVSA-N 2 0 297.443 1.158 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001493108757 971952146 /nfs/dbraw/zinc/95/21/46/971952146.db2.gz REEKNFMTOLJCCZ-CABCVRRESA-N 2 0 297.418 1.270 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001297373685 955006883 /nfs/dbraw/zinc/00/68/83/955006883.db2.gz ZJNQPZMWRAAWNZ-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001328096508 955190161 /nfs/dbraw/zinc/19/01/61/955190161.db2.gz BBVQZQITQSVGJN-CABCVRRESA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001328281412 955251084 /nfs/dbraw/zinc/25/10/84/955251084.db2.gz CPKMQWFPSPPFDF-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001491848456 955467024 /nfs/dbraw/zinc/46/70/24/955467024.db2.gz WXJHZKLQVLNSHC-AWEZNQCLSA-N 2 0 277.412 1.096 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001491891360 955495161 /nfs/dbraw/zinc/49/51/61/955495161.db2.gz JKFMOGQBNGGWAI-HOTGVXAUSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001491952903 955542453 /nfs/dbraw/zinc/54/24/53/955542453.db2.gz UDNVQLLRUCZMPG-OAHLLOKOSA-N 2 0 293.455 1.520 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001329110428 955691178 /nfs/dbraw/zinc/69/11/78/955691178.db2.gz OMDASVMJOCUBHU-QWHCGFSZSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001422259902 955899890 /nfs/dbraw/zinc/89/98/90/955899890.db2.gz HRFDWAXJVNXFQZ-QWHCGFSZSA-N 2 0 287.835 1.565 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001329486022 955942756 /nfs/dbraw/zinc/94/27/56/955942756.db2.gz HXQGBXCIHGWPMX-ZDUSSCGKSA-N 2 0 298.390 1.716 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001329741377 956093163 /nfs/dbraw/zinc/09/31/63/956093163.db2.gz HXNMJBJCEZDHAN-LSDHHAIUSA-N 2 0 281.444 1.423 10 30 CDEERP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001329763931 956104088 /nfs/dbraw/zinc/10/40/88/956104088.db2.gz BPDIECFNDVLZLB-CABCVRRESA-N 2 0 281.444 1.587 10 30 CDEERP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001316735040 956231074 /nfs/dbraw/zinc/23/10/74/956231074.db2.gz XIWUDMOQDFDPMB-XHSDSOJGSA-N 2 0 293.455 1.565 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001316903828 957111724 /nfs/dbraw/zinc/11/17/24/957111724.db2.gz RGJTYDCMMIQCTF-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316979963 957176634 /nfs/dbraw/zinc/17/66/34/957176634.db2.gz FYBURIQYZUFRIU-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001317180678 957326115 /nfs/dbraw/zinc/32/61/15/957326115.db2.gz LYXMHRVDAMBJNR-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001317181637 957326781 /nfs/dbraw/zinc/32/67/81/957326781.db2.gz USLBYIJABUOPKL-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001317180923 957327291 /nfs/dbraw/zinc/32/72/91/957327291.db2.gz NGMXXVMWLLOACS-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317245224 957375558 /nfs/dbraw/zinc/37/55/58/957375558.db2.gz GGGXUIASNYKHNV-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317247459 957377738 /nfs/dbraw/zinc/37/77/38/957377738.db2.gz QAWYKXFEAMBYIP-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001317348817 957433468 /nfs/dbraw/zinc/43/34/68/957433468.db2.gz CPPQGRINRCSJGK-GJZGRUSLSA-N 2 0 291.439 1.511 10 30 CDEERP C#CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001332120982 957440123 /nfs/dbraw/zinc/44/01/23/957440123.db2.gz WZNFEXRTZYQKLI-NVXWUHKLSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001317398047 957452843 /nfs/dbraw/zinc/45/28/43/957452843.db2.gz MQFXBUNKINYCDY-LBPRGKRZSA-N 2 0 284.363 1.374 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001317414578 957461278 /nfs/dbraw/zinc/46/12/78/957461278.db2.gz BJKPOIFSCJLAIO-CQSZACIVSA-N 2 0 287.407 1.479 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001317617937 957601232 /nfs/dbraw/zinc/60/12/32/957601232.db2.gz UPSJOGRAJCWPFA-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001317678531 957636096 /nfs/dbraw/zinc/63/60/96/957636096.db2.gz FOZIJZYHAXYJFJ-GOEBONIOSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001317722101 957646673 /nfs/dbraw/zinc/64/66/73/957646673.db2.gz NDDGBTHXYXBLMY-HNNXBMFYSA-N 2 0 275.396 1.571 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001318301032 958021420 /nfs/dbraw/zinc/02/14/20/958021420.db2.gz JXSZMRCHQPYDFL-GJZGRUSLSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001318481951 958124376 /nfs/dbraw/zinc/12/43/76/958124376.db2.gz CTJXYSOJCNJIHB-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001318525145 958154958 /nfs/dbraw/zinc/15/49/58/958154958.db2.gz URCAOLCUMRNDCC-GJZGRUSLSA-N 2 0 279.428 1.367 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc2c[nH]ccc-2n1 ZINC001320147245 958966634 /nfs/dbraw/zinc/96/66/34/958966634.db2.gz OUTSOJAARLOVEO-GXTWGEPZSA-N 2 0 296.374 1.684 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001321417278 959776088 /nfs/dbraw/zinc/77/60/88/959776088.db2.gz QFLRSNOVTXJRNE-SRLDXXQCSA-N 2 0 277.412 1.145 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1CC ZINC001569343107 1169773752 /nfs/dbraw/zinc/77/37/52/1169773752.db2.gz PCTTVYYXCWRYQO-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001495402869 972487719 /nfs/dbraw/zinc/48/77/19/972487719.db2.gz GBSFSBIUFUTWQN-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001322564983 960261629 /nfs/dbraw/zinc/26/16/29/960261629.db2.gz AGALGIQDKWUQFE-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001420079303 962455483 /nfs/dbraw/zinc/45/54/83/962455483.db2.gz KQSBYSSQIKKYCU-GXTWGEPZSA-N 2 0 299.846 1.565 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2CCCCC[NH2+]2)CCC[NH2+]1 ZINC001342203990 963672198 /nfs/dbraw/zinc/67/21/98/963672198.db2.gz GBCQIVWHYYHKDJ-HIFRSBDPSA-N 2 0 265.401 1.333 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(CCC)CCC[NH+](C)C ZINC001556247726 965018295 /nfs/dbraw/zinc/01/82/95/965018295.db2.gz ORGAYIIMMDVGOS-UHFFFAOYSA-N 2 0 255.406 1.295 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001479913053 966087634 /nfs/dbraw/zinc/08/76/34/966087634.db2.gz MMGFLRWJMQHSDZ-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001445118058 966108237 /nfs/dbraw/zinc/10/82/37/966108237.db2.gz RPDRSNZJMORHGG-KGLIPLIRSA-N 2 0 299.846 1.709 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001569543404 1169917391 /nfs/dbraw/zinc/91/73/91/1169917391.db2.gz CTVCXTAUOBMAGC-HNNXBMFYSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC001466679812 969985532 /nfs/dbraw/zinc/98/55/32/969985532.db2.gz SBFSTYUVLSOKDQ-UONOGXRCSA-N 2 0 297.468 1.142 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001496095910 972792275 /nfs/dbraw/zinc/79/22/75/972792275.db2.gz QUEXZYIERJYMOH-CHWSQXEVSA-N 2 0 287.835 1.660 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001569689748 1169967355 /nfs/dbraw/zinc/96/73/55/1169967355.db2.gz GSJBLFHBEYAJPD-HIFRSBDPSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001498850427 974077227 /nfs/dbraw/zinc/07/72/27/974077227.db2.gz XFCQJVLODVTXHV-MRXNPFEDSA-N 2 0 291.439 1.224 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001499005169 974157709 /nfs/dbraw/zinc/15/77/09/974157709.db2.gz LOBCLDAPTLGLIW-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001499458955 974258076 /nfs/dbraw/zinc/25/80/76/974258076.db2.gz RQASHUQBQLCFQB-CYBMUJFWSA-N 2 0 265.401 1.285 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001499932393 974339892 /nfs/dbraw/zinc/33/98/92/974339892.db2.gz XKPDCPUGWNHVOX-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001501395318 974578875 /nfs/dbraw/zinc/57/88/75/974578875.db2.gz LYUXWUYRAHAEJB-LSDHHAIUSA-N 2 0 277.412 1.027 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001506036082 975096893 /nfs/dbraw/zinc/09/68/93/975096893.db2.gz FOAIOWFYXMNNMW-CQSZACIVSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001506158223 975117222 /nfs/dbraw/zinc/11/72/22/975117222.db2.gz FXVLCHNNKKMFCT-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001507419570 975461408 /nfs/dbraw/zinc/46/14/08/975461408.db2.gz VEMJVARPJLJCEQ-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001674720994 1173995750 /nfs/dbraw/zinc/99/57/50/1173995750.db2.gz FDYDYCLVQHMSCF-CHWSQXEVSA-N 2 0 255.406 1.387 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001674723537 1173998764 /nfs/dbraw/zinc/99/87/64/1173998764.db2.gz ZKSPCQDBANAOPW-STQMWFEESA-N 2 0 267.417 1.387 10 30 CDEERP C=CCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001676814594 1174276828 /nfs/dbraw/zinc/27/68/28/1174276828.db2.gz IKFSCCLDYHBKJU-GDBMZVCRSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001677445173 1174361445 /nfs/dbraw/zinc/36/14/45/1174361445.db2.gz NNSGPEDCBWZZAV-UHFFFAOYSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001570564155 1170190619 /nfs/dbraw/zinc/19/06/19/1170190619.db2.gz ONJRXCHSOUFOFL-UYSNPLJNSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001570827424 1170290475 /nfs/dbraw/zinc/29/04/75/1170290475.db2.gz QNTZJRSLIRJIPD-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[N@H+]1C[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001570905503 1170316355 /nfs/dbraw/zinc/31/63/55/1170316355.db2.gz UVQFYLWMDAMQIM-CABCVRRESA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001571357731 1170383174 /nfs/dbraw/zinc/38/31/74/1170383174.db2.gz QSLRRXCMQMIIIS-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001657079964 1171923694 /nfs/dbraw/zinc/92/36/94/1171923694.db2.gz XTNRYYVOKWGHLF-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[C@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000651720796 398165491 /nfs/dbraw/zinc/16/54/91/398165491.db2.gz KXICETWIPGUSPD-KBPBESRZSA-N 2 0 252.402 1.778 10 30 CDEERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])CCCCC#N)CC[N@@H+]1C ZINC000594437388 342905866 /nfs/dbraw/zinc/90/58/66/342905866.db2.gz BQZMJVUBGZMKCG-MGPQQGTHSA-N 2 0 280.416 1.339 10 30 CDEERP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000594440627 342907035 /nfs/dbraw/zinc/90/70/35/342907035.db2.gz HDCDBZRBCAREJJ-RBSFLKMASA-N 2 0 294.443 1.634 10 30 CDEERP N#C[C@@H]1CCC[C@H]1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601964631 344297895 /nfs/dbraw/zinc/29/78/95/344297895.db2.gz JQJXBNNGNQLUOO-RCCFBDPRSA-N 2 0 299.418 1.905 10 30 CDEERP COc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1C#N ZINC000602020774 350045344 /nfs/dbraw/zinc/04/53/44/350045344.db2.gz NVCOEADJVNEXNO-BXUZGUMPSA-N 2 0 259.353 1.593 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001661655071 1172421957 /nfs/dbraw/zinc/42/19/57/1172421957.db2.gz WZHPPQIXQZRPSK-FPCVCCKLSA-N 2 0 293.455 1.920 10 30 CDEERP COC[C@H](CCC[NH3+])[NH2+]CCOc1ccc(C#N)cc1 ZINC000422990668 245472216 /nfs/dbraw/zinc/47/22/16/245472216.db2.gz OFZIZQDOMNXWBM-AWEZNQCLSA-N 2 0 277.368 1.281 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001661842621 1172455080 /nfs/dbraw/zinc/45/50/80/1172455080.db2.gz QWKJRUJYERTXKD-HNNXBMFYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246623590 376958467 /nfs/dbraw/zinc/95/84/67/376958467.db2.gz BZFSIHJEAHOSDF-QLFBSQMISA-N 2 0 254.418 1.976 10 30 CDEERP C=CC[C@]1(C(=O)N2CCN(C)[C@@H](C(C)C)C2)CCC[NH2+]1 ZINC000639018523 377130234 /nfs/dbraw/zinc/13/02/34/377130234.db2.gz MNKWVCZUWXNTAE-GDBMZVCRSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC[C@@H](C[NH2+]C)C2)CCC[NH2+]1 ZINC000662391820 412952999 /nfs/dbraw/zinc/95/29/99/412952999.db2.gz JQMFSXLFFIVLOI-ZFWWWQNUSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H](CCC)[NH+](C)C)CC1 ZINC000179229141 391768792 /nfs/dbraw/zinc/76/87/92/391768792.db2.gz FEJZUAZECNJEOA-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001663522982 1172715794 /nfs/dbraw/zinc/71/57/94/1172715794.db2.gz FXTBAIUBPUAQHL-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001663633468 1172737794 /nfs/dbraw/zinc/73/77/94/1172737794.db2.gz GHAPDVSZXNBTKM-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001663968015 1172796330 /nfs/dbraw/zinc/79/63/30/1172796330.db2.gz NBJJISCMPOLBTN-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000662700340 413338803 /nfs/dbraw/zinc/33/88/03/413338803.db2.gz HLXZIXQZMJZBPK-UKRRQHHQSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[C@@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000662860660 413621956 /nfs/dbraw/zinc/62/19/56/413621956.db2.gz SWKLGJCAXABVLM-OCCSQVGLSA-N 2 0 253.390 1.141 10 30 CDEERP C[NH+](C)CC1CC[NH+](Cc2sccc2C#CC[NH3+])CC1 ZINC000043684073 175092297 /nfs/dbraw/zinc/09/22/97/175092297.db2.gz CHVQNGSZZXKQAR-UHFFFAOYSA-N 3 0 291.464 1.832 10 30 CDEERP CC[NH+]1CCC(N(C)Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043689121 175096277 /nfs/dbraw/zinc/09/62/77/175096277.db2.gz XMKWRMKXLAOFNW-UHFFFAOYSA-N 2 0 291.464 1.974 10 30 CDEERP C#CC[NH2+]C[C@@](C)(NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001666043176 1173103867 /nfs/dbraw/zinc/10/38/67/1173103867.db2.gz JHVININKFJJBGC-QGZVFWFLSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001667492800 1173274996 /nfs/dbraw/zinc/27/49/96/1173274996.db2.gz DDNBDPQPFBZBPV-LSDHHAIUSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001668117398 1173370218 /nfs/dbraw/zinc/37/02/18/1173370218.db2.gz HVUVFHZSZBQMPO-ZIAGYGMSSA-N 2 0 290.411 1.506 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001671390706 1173680702 /nfs/dbraw/zinc/68/07/02/1173680702.db2.gz RRMDTJCMMLJBRO-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001672911169 1173809154 /nfs/dbraw/zinc/80/91/54/1173809154.db2.gz QSPCMVOXVYGGMU-AWEZNQCLSA-N 2 0 265.401 1.096 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001673434737 1173856395 /nfs/dbraw/zinc/85/63/95/1173856395.db2.gz SYSZKNFNQQPYHM-MRXNPFEDSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001673877126 1173894118 /nfs/dbraw/zinc/89/41/18/1173894118.db2.gz DQMAGZAVXHMISB-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262477971 330016412 /nfs/dbraw/zinc/01/64/12/330016412.db2.gz QPOOWELWYHQNTM-ZIAGYGMSSA-N 2 0 282.432 1.142 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CC12CCCC2 ZINC000263270286 330051320 /nfs/dbraw/zinc/05/13/20/330051320.db2.gz OYZOCQAENICIFY-QWHCGFSZSA-N 2 0 264.417 1.708 10 30 CDEERP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000248748172 334315623 /nfs/dbraw/zinc/31/56/23/334315623.db2.gz BMDMEKFCYJFJRT-QLFBSQMISA-N 2 0 265.401 1.505 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001268414036 1159932130 /nfs/dbraw/zinc/93/21/30/1159932130.db2.gz QCOCUNQLHBIISO-KBPBESRZSA-N 2 0 269.433 1.633 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001670808083 1160171017 /nfs/dbraw/zinc/17/10/17/1160171017.db2.gz VDLLKRHRYZCHOS-CABCVRRESA-N 2 0 291.439 1.818 10 30 CDEERP C=C(C)[C@H](CO)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000678049318 482404795 /nfs/dbraw/zinc/40/47/95/482404795.db2.gz HNNPXVOKBKMXBU-HNNXBMFYSA-N 2 0 254.418 1.977 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001482692181 1160626140 /nfs/dbraw/zinc/62/61/40/1160626140.db2.gz GNIUVBIELLDXAB-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001483175926 1160780114 /nfs/dbraw/zinc/78/01/14/1160780114.db2.gz XSQMWHBZSKBWON-NWDGAFQWSA-N 2 0 264.373 1.259 10 30 CDEERP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001714993343 1179496583 /nfs/dbraw/zinc/49/65/83/1179496583.db2.gz XOWPVCUGSLSGJG-KBPBESRZSA-N 2 0 265.401 1.189 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]C(C)C)CC1 ZINC001734355897 1183744993 /nfs/dbraw/zinc/74/49/93/1183744993.db2.gz IPSGYQULMJTNBM-CQSZACIVSA-N 2 0 279.428 1.177 10 30 CDEERP CC[NH+](CC)[C@H]1CCN(Cc2ccccc2C#CC[NH3+])C1 ZINC000062967853 520874570 /nfs/dbraw/zinc/87/45/70/520874570.db2.gz KHJQQKTVGQZXQL-SFHVURJKSA-N 2 0 285.435 1.913 10 30 CDEERP CCC[N@H+](CCO)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049609658 521667093 /nfs/dbraw/zinc/66/70/93/521667093.db2.gz RGECPDBODMJMOX-UHFFFAOYSA-N 2 0 276.380 1.210 10 30 CDEERP COC1CC[NH+](CCOc2cccc(C#CC[NH3+])c2)CC1 ZINC000049609084 522705598 /nfs/dbraw/zinc/70/55/98/522705598.db2.gz LVYBUGNFXXFWIA-UHFFFAOYSA-N 2 0 288.391 1.486 10 30 CDEERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#CC[NH3+])cc1 ZINC000049609836 523506974 /nfs/dbraw/zinc/50/69/74/523506974.db2.gz NTTIABHGYVEOGJ-WMLDXEAASA-N 2 0 272.392 1.996 10 30 CDEERP [NH3+]CC#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000052763118 527148544 /nfs/dbraw/zinc/14/85/44/527148544.db2.gz JEKWPWBHJHDUOO-KRWDZBQOSA-N 2 0 290.382 1.873 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001689318974 1175143668 /nfs/dbraw/zinc/14/36/68/1175143668.db2.gz XFYPZQGJKGTCPP-XHSDSOJGSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001689340300 1175148722 /nfs/dbraw/zinc/14/87/22/1175148722.db2.gz LITAYBRCCAMCLD-KGLIPLIRSA-N 2 0 267.417 1.482 10 30 CDEERP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)ccc1C#N ZINC000925669015 617625302 /nfs/dbraw/zinc/62/53/02/617625302.db2.gz NPUKJFKSWMTJAV-GJZGRUSLSA-N 2 0 271.364 1.926 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000900086964 622687786 /nfs/dbraw/zinc/68/77/86/622687786.db2.gz CELHGODWETWEIF-UHFFFAOYSA-N 2 0 289.423 1.872 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000900431169 623047029 /nfs/dbraw/zinc/04/70/29/623047029.db2.gz YGOSOYVOTMNXAE-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000900519250 623182861 /nfs/dbraw/zinc/18/28/61/623182861.db2.gz XCGNNEGQVRBXRR-UHFFFAOYSA-N 2 0 297.443 1.111 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000900959388 623728715 /nfs/dbraw/zinc/72/87/15/623728715.db2.gz XMBWDKVEXOKWFF-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000903453609 626001131 /nfs/dbraw/zinc/00/11/31/626001131.db2.gz DKWADOKWEUNSAT-QGZVFWFLSA-N 2 0 298.434 1.655 10 30 CDEERP C=CC[C@@H]1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903769353 626086176 /nfs/dbraw/zinc/08/61/76/626086176.db2.gz DKASZMSUALKBMB-KFWWJZLASA-N 2 0 250.386 1.653 10 30 CDEERP C=CCNC(NC[C@H]1CCC[N@H+]1CCOC)=[NH+]C(C)(C)C ZINC000912496777 630030332 /nfs/dbraw/zinc/03/03/32/630030332.db2.gz HAILQPPQYURFQX-CQSZACIVSA-N 2 0 296.459 1.617 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266601959 1158653283 /nfs/dbraw/zinc/65/32/83/1158653283.db2.gz QWFCRIIVDHOLHW-JHJVBQTASA-N 2 0 253.390 1.140 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001691097709 1158907776 /nfs/dbraw/zinc/90/77/76/1158907776.db2.gz QTKCNKWJNNETKN-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001266860032 1158913046 /nfs/dbraw/zinc/91/30/46/1158913046.db2.gz VQKCBTSGCOMJOT-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001691167336 1158941813 /nfs/dbraw/zinc/94/18/13/1158941813.db2.gz TYGCXBBJHQGFPI-KKUMJFAQSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001691166471 1158941125 /nfs/dbraw/zinc/94/11/25/1158941125.db2.gz SXLNAVPPXWIYOB-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001670490339 1158618915 /nfs/dbraw/zinc/61/89/15/1158618915.db2.gz JNUZAUHELRHHQF-MRXNPFEDSA-N 2 0 296.374 1.374 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)CC1 ZINC000874844813 1165684578 /nfs/dbraw/zinc/68/45/78/1165684578.db2.gz TYRDHBACQPWAKR-HOTGVXAUSA-N 2 0 289.423 1.027 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1OC ZINC000876505967 1165859203 /nfs/dbraw/zinc/85/92/03/1165859203.db2.gz DITHHEUYOOTJOR-NEPJUHHUSA-N 2 0 297.786 1.281 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000876510971 1165860551 /nfs/dbraw/zinc/86/05/51/1165860551.db2.gz ZGJDBCAKKAXGAV-GARJFASQSA-N 2 0 259.781 1.185 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000877425535 1166034740 /nfs/dbraw/zinc/03/47/40/1166034740.db2.gz CTDQMDDSWOQEIR-WCQYABFASA-N 2 0 293.798 1.936 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001566711859 1168396575 /nfs/dbraw/zinc/39/65/75/1168396575.db2.gz WRZPBDBAJNBJQO-ZDUSSCGKSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001566775386 1168417216 /nfs/dbraw/zinc/41/72/16/1168417216.db2.gz BVJBFBZBAGDZCR-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566906097 1168461678 /nfs/dbraw/zinc/46/16/78/1168461678.db2.gz VUCKIMNWNWZABU-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001567938933 1169081696 /nfs/dbraw/zinc/08/16/96/1169081696.db2.gz LYAZPONOWQVOFR-OAHLLOKOSA-N 2 0 277.412 1.027 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001567971216 1169101602 /nfs/dbraw/zinc/10/16/02/1169101602.db2.gz ATMJSSRVDXLNCU-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001570564240 1170190168 /nfs/dbraw/zinc/19/01/68/1170190168.db2.gz SAXQPBPYTKXOLT-UHFFFAOYSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001571463890 1170439083 /nfs/dbraw/zinc/43/90/83/1170439083.db2.gz CZUMHIQNOGEKCI-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001571541988 1170470384 /nfs/dbraw/zinc/47/03/84/1170470384.db2.gz IQAHVUISZCGWMP-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001571545672 1170472300 /nfs/dbraw/zinc/47/23/00/1170472300.db2.gz FPEDJQDDICHNFY-CVEARBPZSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001661212378 1172356272 /nfs/dbraw/zinc/35/62/72/1172356272.db2.gz DRYHIBNTSULTGP-BZUAXINKSA-N 2 0 291.439 1.130 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001663645155 1172736597 /nfs/dbraw/zinc/73/65/97/1172736597.db2.gz PZELHUPTTFAIEZ-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)C[NH+]1CCC(C)CC1 ZINC001668596963 1173430935 /nfs/dbraw/zinc/43/09/35/1173430935.db2.gz NYNJKJCEXQYUCV-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001668746176 1173455934 /nfs/dbraw/zinc/45/59/34/1173455934.db2.gz TYDGWJOIUWPSDY-MVZIDQBPSA-N 2 0 271.792 1.095 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001670275494 1173669761 /nfs/dbraw/zinc/66/97/61/1173669761.db2.gz NZPGOPARUVZMIH-ZDUSSCGKSA-N 2 0 276.384 1.050 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001672911720 1173808878 /nfs/dbraw/zinc/80/88/78/1173808878.db2.gz YXCMTDCSTVGYBO-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001690000528 1175341059 /nfs/dbraw/zinc/34/10/59/1175341059.db2.gz GSAWGOZOCNNDOA-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001690862465 1175593698 /nfs/dbraw/zinc/59/36/98/1175593698.db2.gz FMIRKEUGPZTGSA-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001690866904 1175595230 /nfs/dbraw/zinc/59/52/30/1175595230.db2.gz FFOAVWPPYFCPGU-GJZGRUSLSA-N 2 0 281.444 1.920 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001691917105 1175651873 /nfs/dbraw/zinc/65/18/73/1175651873.db2.gz FTNZXCYAUYAYIZ-OWCLPIDISA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001698564704 1175847187 /nfs/dbraw/zinc/84/71/87/1175847187.db2.gz WKAVNMCJGVFGMC-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001698584400 1175856042 /nfs/dbraw/zinc/85/60/42/1175856042.db2.gz GLIWTWROSJNVJG-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001698584399 1175856547 /nfs/dbraw/zinc/85/65/47/1175856547.db2.gz GLIWTWROSJNVJG-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699440398 1176403497 /nfs/dbraw/zinc/40/34/97/1176403497.db2.gz DAHBCRZLQFLLCN-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001699681852 1176567510 /nfs/dbraw/zinc/56/75/10/1176567510.db2.gz CMMQPTOWJICSNE-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001699876448 1176665569 /nfs/dbraw/zinc/66/55/69/1176665569.db2.gz YEGHXPDGIUHYIB-BFYDXBDKSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001700015530 1176719851 /nfs/dbraw/zinc/71/98/51/1176719851.db2.gz DPFXIKIVALURMB-GJZGRUSLSA-N 2 0 277.412 1.027 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001700088278 1176744140 /nfs/dbraw/zinc/74/41/40/1176744140.db2.gz RXDIJANGBIJKKH-HOTGVXAUSA-N 2 0 293.455 1.424 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001700203924 1176797836 /nfs/dbraw/zinc/79/78/36/1176797836.db2.gz WCGAYDGIMRFNRU-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001700484216 1176976547 /nfs/dbraw/zinc/97/65/47/1176976547.db2.gz YMCYXWBBFXGRIY-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001700489122 1176978757 /nfs/dbraw/zinc/97/87/57/1176978757.db2.gz NANUTVMMEHOEOB-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH2+]C[C@H](CCCC)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001700520775 1176993719 /nfs/dbraw/zinc/99/37/19/1176993719.db2.gz PXGUPNHWYGXLDA-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001700870115 1177171454 /nfs/dbraw/zinc/17/14/54/1177171454.db2.gz YRTFROOLSJQZKV-WBVHZDCISA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH+]1CC=C(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001701058947 1177260342 /nfs/dbraw/zinc/26/03/42/1177260342.db2.gz NNAWNYUELCNUQR-INIZCTEOSA-N 2 0 289.423 1.100 10 30 CDEERP C#CCC[NH+]1CC=C(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001701058948 1177261239 /nfs/dbraw/zinc/26/12/39/1177261239.db2.gz NNAWNYUELCNUQR-MRXNPFEDSA-N 2 0 289.423 1.100 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001707089879 1177948977 /nfs/dbraw/zinc/94/89/77/1177948977.db2.gz HXEXYORGSSNPMA-RBSFLKMASA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001713175428 1178413545 /nfs/dbraw/zinc/41/35/45/1178413545.db2.gz BWPXJNARQYVROJ-KKUMJFAQSA-N 2 0 277.412 1.121 10 30 CDEERP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001713255501 1178455892 /nfs/dbraw/zinc/45/58/92/1178455892.db2.gz NLIKYJNKWJFNFT-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713351332 1178515399 /nfs/dbraw/zinc/51/53/99/1178515399.db2.gz CDHFKJBWJINVPQ-CQSZACIVSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001713362296 1178521357 /nfs/dbraw/zinc/52/13/57/1178521357.db2.gz VZIWCIUSECXUBF-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001714020835 1178930088 /nfs/dbraw/zinc/93/00/88/1178930088.db2.gz LEXDRPIGSNWXDU-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001714043001 1178944870 /nfs/dbraw/zinc/94/48/70/1178944870.db2.gz KWTVFHCVNNKNFB-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001714088191 1178967538 /nfs/dbraw/zinc/96/75/38/1178967538.db2.gz GPWVCBJNMCWHSJ-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001714485721 1179164879 /nfs/dbraw/zinc/16/48/79/1179164879.db2.gz YNAAWPJPWXZVKU-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CCC[NH+](C)C ZINC001714524315 1179181044 /nfs/dbraw/zinc/18/10/44/1179181044.db2.gz HLPDZHWIVIZBGV-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001714541390 1179197937 /nfs/dbraw/zinc/19/79/37/1179197937.db2.gz LZWSKFQCGOYEHS-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC=C(C)C)CC1 ZINC001714572287 1179228539 /nfs/dbraw/zinc/22/85/39/1179228539.db2.gz NIZDKDPAJVUWAL-UHFFFAOYSA-N 2 0 291.439 1.346 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715081573 1179544280 /nfs/dbraw/zinc/54/42/80/1179544280.db2.gz OBMVLCKIJMFCAC-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001715272746 1179604753 /nfs/dbraw/zinc/60/47/53/1179604753.db2.gz QYPZCQAGUDSZSI-INIZCTEOSA-N 2 0 293.455 1.618 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715652795 1179753485 /nfs/dbraw/zinc/75/34/85/1179753485.db2.gz KQTKZRMFVZAUHF-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001716179691 1180085507 /nfs/dbraw/zinc/08/55/07/1180085507.db2.gz ZBSZXXKEIBNXJJ-HOTGVXAUSA-N 2 0 293.455 1.757 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001716618584 1180308387 /nfs/dbraw/zinc/30/83/87/1180308387.db2.gz GTJYZONDDNCBRZ-CWRNSKLLSA-N 2 0 291.439 1.224 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001716681678 1180366339 /nfs/dbraw/zinc/36/63/39/1180366339.db2.gz UUPDCEOIMCKYLX-AWEZNQCLSA-N 2 0 277.412 1.121 10 30 CDEERP C=CC[NH+]1CC[C@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001716849016 1180438865 /nfs/dbraw/zinc/43/88/65/1180438865.db2.gz PMRBWQMRVUSBPF-HIFRSBDPSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001716974205 1180487100 /nfs/dbraw/zinc/48/71/00/1180487100.db2.gz XGEAEKZMTJISEW-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001717085373 1180528608 /nfs/dbraw/zinc/52/86/08/1180528608.db2.gz JFFMUIFBMKPEEQ-GJZGRUSLSA-N 2 0 297.418 1.128 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001717367836 1180633936 /nfs/dbraw/zinc/63/39/36/1180633936.db2.gz RTCYHCGIMZXNQK-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001717476836 1180696644 /nfs/dbraw/zinc/69/66/44/1180696644.db2.gz UPIYBWBWQIBHNZ-KGLIPLIRSA-N 2 0 269.433 1.585 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001717748785 1180827576 /nfs/dbraw/zinc/82/75/76/1180827576.db2.gz PJCFZSWORMGDCG-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001717886893 1180914225 /nfs/dbraw/zinc/91/42/25/1180914225.db2.gz IUCWEQYYKPOGMQ-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001717996747 1180962313 /nfs/dbraw/zinc/96/23/13/1180962313.db2.gz QQUSOCQOOACFRO-WLYUNCDWSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001724095237 1181636251 /nfs/dbraw/zinc/63/62/51/1181636251.db2.gz MHAHDNDZMGIKDH-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CCCC1 ZINC001724109942 1181637397 /nfs/dbraw/zinc/63/73/97/1181637397.db2.gz OIBSTASRDURXQO-OAHLLOKOSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001725067489 1181842923 /nfs/dbraw/zinc/84/29/23/1181842923.db2.gz KPERZTYJVFYDQZ-UHFFFAOYSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[N@@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001725167176 1181900217 /nfs/dbraw/zinc/90/02/17/1181900217.db2.gz UZFYSAYSISSBLZ-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001725600510 1182068022 /nfs/dbraw/zinc/06/80/22/1182068022.db2.gz WRCVDCNSCCYNME-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001725747284 1182120110 /nfs/dbraw/zinc/12/01/10/1182120110.db2.gz HEPYTVLJXMTILZ-CQSZACIVSA-N 2 0 279.428 1.082 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001731374118 1182343131 /nfs/dbraw/zinc/34/31/31/1182343131.db2.gz FKZNEYKLPLRRAP-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001731531915 1182436746 /nfs/dbraw/zinc/43/67/46/1182436746.db2.gz ZTSPUVZLFIWYIC-CQSZACIVSA-N 2 0 265.401 1.096 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001731729096 1182536783 /nfs/dbraw/zinc/53/67/83/1182536783.db2.gz HKRKHXOTINQQGQ-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001731965961 1182703871 /nfs/dbraw/zinc/70/38/71/1182703871.db2.gz BKWWNKYRJNKQGY-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001732003209 1182720175 /nfs/dbraw/zinc/72/01/75/1182720175.db2.gz YULYRIPKIXLUPB-GDBMZVCRSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001732279852 1182894348 /nfs/dbraw/zinc/89/43/48/1182894348.db2.gz JCNYDDOJGKKXOM-UXLLHSPISA-N 2 0 291.439 1.224 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001732502902 1182991508 /nfs/dbraw/zinc/99/15/08/1182991508.db2.gz XKCGNIOGYPGGDB-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001732570207 1183014826 /nfs/dbraw/zinc/01/48/26/1183014826.db2.gz JXSMLXUGOLFUPY-HUUCEWRRSA-N 2 0 281.444 1.635 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001732576948 1183019006 /nfs/dbraw/zinc/01/90/06/1183019006.db2.gz SWDABGOVTBZNLY-INIZCTEOSA-N 2 0 293.455 1.470 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001732998175 1183230514 /nfs/dbraw/zinc/23/05/14/1183230514.db2.gz AQPFNKSGTXIMNI-GOEBONIOSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001733287786 1183379422 /nfs/dbraw/zinc/37/94/22/1183379422.db2.gz HSWHAOVTCAGLCN-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001733351803 1183407005 /nfs/dbraw/zinc/40/70/05/1183407005.db2.gz GETUHFYFSDDPCU-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001733378534 1183413369 /nfs/dbraw/zinc/41/33/69/1183413369.db2.gz AETJUCVVLNMWII-JKSUJKDBSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001733689923 1183498084 /nfs/dbraw/zinc/49/80/84/1183498084.db2.gz WGEWNERTACWVID-SHTZXODSSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001733726470 1183509684 /nfs/dbraw/zinc/50/96/84/1183509684.db2.gz OYWXRQYQMITEGG-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001733867182 1183554969 /nfs/dbraw/zinc/55/49/69/1183554969.db2.gz AQJUUGZABJSDNC-OAHLLOKOSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001734120153 1183666757 /nfs/dbraw/zinc/66/67/57/1183666757.db2.gz NHZFSFQZGLCXMM-ZDUSSCGKSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001734126222 1183667928 /nfs/dbraw/zinc/66/79/28/1183667928.db2.gz RITWLXJVFCCOKI-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001734294946 1183716760 /nfs/dbraw/zinc/71/67/60/1183716760.db2.gz HYTHUPYCUYCDCC-OAHLLOKOSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001734398557 1183763059 /nfs/dbraw/zinc/76/30/59/1183763059.db2.gz IBSZFSNCMXMKFE-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001734439879 1183779044 /nfs/dbraw/zinc/77/90/44/1183779044.db2.gz MDDGZJNBYDTOCX-UXLLHSPISA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001626754760 1165955763 /nfs/dbraw/zinc/95/57/63/1165955763.db2.gz MPUNFEKBWFVYTO-CQSZACIVSA-N 2 0 285.407 1.387 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001569681582 1167565940 /nfs/dbraw/zinc/56/59/40/1167565940.db2.gz OCVXHOVIVXCTAS-OAHLLOKOSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001566951270 1168478394 /nfs/dbraw/zinc/47/83/94/1168478394.db2.gz FQHKYFZYTUNZML-OAHLLOKOSA-N 2 0 291.439 1.629 10 30 CDEERP CC#CC[N@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001567290333 1168662932 /nfs/dbraw/zinc/66/29/32/1168662932.db2.gz AROZYMITPHSCGS-UHFFFAOYSA-N 2 0 284.363 1.328 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567415627 1168743438 /nfs/dbraw/zinc/74/34/38/1168743438.db2.gz PIABYBOOZRQQFG-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001567443811 1168767249 /nfs/dbraw/zinc/76/72/49/1168767249.db2.gz YYHCKVHOJPZBIE-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266560389 895362091 /nfs/dbraw/zinc/36/20/91/895362091.db2.gz KOLLSFYCAWKNEX-HNNXBMFYSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267039161 896617201 /nfs/dbraw/zinc/61/72/01/896617201.db2.gz MXFBXPNYDWIHLD-LSDHHAIUSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001267302268 897525209 /nfs/dbraw/zinc/52/52/09/897525209.db2.gz ODIRYJYTAQEYJP-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001481111714 898877598 /nfs/dbraw/zinc/87/75/98/898877598.db2.gz JWVHTPIWFFPHMU-OAHLLOKOSA-N 2 0 295.471 1.979 10 30 CDEERP C#CCC[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001481121017 898930614 /nfs/dbraw/zinc/93/06/14/898930614.db2.gz RDRQWAQJGDCXNH-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267787671 899729108 /nfs/dbraw/zinc/72/91/08/899729108.db2.gz HWLLMAHKGJMQKV-LSDHHAIUSA-N 2 0 279.428 1.273 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267805815 899776979 /nfs/dbraw/zinc/77/69/79/899776979.db2.gz IVQOOEISOMDCNB-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001567693855 1168920277 /nfs/dbraw/zinc/92/02/77/1168920277.db2.gz ZSDNOJYAAFNBOL-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267966989 900110854 /nfs/dbraw/zinc/11/08/54/900110854.db2.gz VEYMRGOCKUEEGH-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268002664 900249240 /nfs/dbraw/zinc/24/92/40/900249240.db2.gz BZVOIVHVWUEMJO-BBRMVZONSA-N 2 0 297.418 1.174 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001481340131 900454051 /nfs/dbraw/zinc/45/40/51/900454051.db2.gz OPTPQBZEUHRKCQ-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268084243 901149688 /nfs/dbraw/zinc/14/96/88/901149688.db2.gz MXBUNSSKUWBLPD-CHWSQXEVSA-N 2 0 255.406 1.195 10 30 CDEERP C=C(C[NH+](C)C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC001567761020 1168955321 /nfs/dbraw/zinc/95/53/21/1168955321.db2.gz XAJAXKMJMDTQHH-UHFFFAOYSA-N 2 0 275.396 1.847 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268440127 902060286 /nfs/dbraw/zinc/06/02/86/902060286.db2.gz WWDYVWGYMXYLAK-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001482058522 902569304 /nfs/dbraw/zinc/56/93/04/902569304.db2.gz KRJCDEBHFJRGRX-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001482108789 902654746 /nfs/dbraw/zinc/65/47/46/902654746.db2.gz WXQCOFVMUFGSCB-ZBFHGGJFSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCCn2ccnc2)C1 ZINC001284248917 902994486 /nfs/dbraw/zinc/99/44/86/902994486.db2.gz WCVCJSGTDMTKBL-LSDHHAIUSA-N 2 0 288.395 1.171 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001269453913 903820189 /nfs/dbraw/zinc/82/01/89/903820189.db2.gz IHNYGUHGEAVFOT-KKUMJFAQSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001269558166 903930024 /nfs/dbraw/zinc/93/00/24/903930024.db2.gz WZAURMSNMJWJCM-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482298423 904753712 /nfs/dbraw/zinc/75/37/12/904753712.db2.gz JQNLSEXXQVYYRF-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CCC)CC1 ZINC001270604838 904784094 /nfs/dbraw/zinc/78/40/94/904784094.db2.gz SFPZZPQKRANLSX-CQSZACIVSA-N 2 0 279.428 1.084 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001482339785 905107156 /nfs/dbraw/zinc/10/71/56/905107156.db2.gz VIVCIOPCKRGTGN-JKSUJKDBSA-N 2 0 293.455 1.709 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001270829846 905111780 /nfs/dbraw/zinc/11/17/80/905111780.db2.gz NKRPSMKEVMHSAT-DOTOQJQBSA-N 2 0 295.471 1.977 10 30 CDEERP C#CCC[NH+]1CCC(C)(CNC(=O)CCC[NH+](C)C)CC1 ZINC001270906076 905412610 /nfs/dbraw/zinc/41/26/10/905412610.db2.gz GODNVRXQHQBQLH-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001271100791 905648500 /nfs/dbraw/zinc/64/85/00/905648500.db2.gz IQSHHSHREWZGNG-CQSZACIVSA-N 2 0 283.460 1.977 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001273571741 921220123 /nfs/dbraw/zinc/22/01/23/921220123.db2.gz LNENYHDFENBBLB-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001271402431 906304597 /nfs/dbraw/zinc/30/45/97/906304597.db2.gz FBIWYZHVPKPJLE-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001271550153 906517509 /nfs/dbraw/zinc/51/75/09/906517509.db2.gz NEDIUQPIUNECDB-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001271750403 906771923 /nfs/dbraw/zinc/77/19/23/906771923.db2.gz JWKXNZLAXSIFAV-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1 ZINC001271777285 906803851 /nfs/dbraw/zinc/80/38/51/906803851.db2.gz MMPYULATBOOURP-SHTZXODSSA-N 2 0 281.444 1.636 10 30 CDEERP C=C(Cl)CN(C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001482652096 908123406 /nfs/dbraw/zinc/12/34/06/908123406.db2.gz PNFCMNZKTPCJJM-UHFFFAOYSA-N 2 0 275.824 1.469 10 30 CDEERP C=CCCC[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482893167 908470368 /nfs/dbraw/zinc/47/03/68/908470368.db2.gz YKBJBSVMHDDGIW-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)C[N@H+](C)C(C)C ZINC001482970235 908555369 /nfs/dbraw/zinc/55/53/69/908555369.db2.gz PQYIFZKLONQQKT-UHFFFAOYSA-N 2 0 255.406 1.341 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001272172622 908663686 /nfs/dbraw/zinc/66/36/86/908663686.db2.gz POZBXVGVDHZHTK-UHFFFAOYSA-N 2 0 253.390 1.049 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001483142844 909803308 /nfs/dbraw/zinc/80/33/08/909803308.db2.gz ACIRZHLWWWUPOG-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001484006062 915279229 /nfs/dbraw/zinc/27/92/29/915279229.db2.gz BNGBQACXYVNDRX-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485343554 916858868 /nfs/dbraw/zinc/85/88/68/916858868.db2.gz GSYGKVKCDJFXQR-MJBXVCDLSA-N 2 0 267.417 1.339 10 30 CDEERP CC#CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001485576001 917117678 /nfs/dbraw/zinc/11/76/78/917117678.db2.gz AMNCBCCNDMEYAQ-AWEZNQCLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485644646 917157492 /nfs/dbraw/zinc/15/74/92/917157492.db2.gz QXIREVOCNDCSHT-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001485916841 920573823 /nfs/dbraw/zinc/57/38/23/920573823.db2.gz YVTUNILLJLFTTK-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001485960705 920627741 /nfs/dbraw/zinc/62/77/41/920627741.db2.gz KNLKFGSROQSQPQ-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001490933661 936833752 /nfs/dbraw/zinc/83/37/52/936833752.db2.gz ITGSTOAXSUINPV-YHUYYLMFSA-N 2 0 289.423 1.263 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001649448968 1169258612 /nfs/dbraw/zinc/25/86/12/1169258612.db2.gz HHLRYTMQDYJQTL-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001491031104 936844395 /nfs/dbraw/zinc/84/43/95/936844395.db2.gz HGGHAMDLXLBXTL-OWCLPIDISA-N 2 0 291.439 1.367 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001491160945 936867181 /nfs/dbraw/zinc/86/71/81/936867181.db2.gz OTQLETBTMUVNSK-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491161259 936867489 /nfs/dbraw/zinc/86/74/89/936867489.db2.gz VYVBTEMNQWKPQU-CVEARBPZSA-N 2 0 293.455 1.424 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001491251733 936884173 /nfs/dbraw/zinc/88/41/73/936884173.db2.gz ASEMKLPJQRZZMY-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001491508236 936926869 /nfs/dbraw/zinc/92/68/69/936926869.db2.gz QGZNJMLKUVDWTJ-UONOGXRCSA-N 2 0 290.411 1.506 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001568450944 1169294038 /nfs/dbraw/zinc/29/40/38/1169294038.db2.gz FTIOPVAJRGVMED-JKSUJKDBSA-N 2 0 291.439 1.082 10 30 CDEERP C=C(C)C[N@H+](CC)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001490324083 927122980 /nfs/dbraw/zinc/12/29/80/927122980.db2.gz BUTNKLMDUDKQLB-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001136800460 931370690 /nfs/dbraw/zinc/37/06/90/931370690.db2.gz XWNUDWGZMMSHNG-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001274689982 931545945 /nfs/dbraw/zinc/54/59/45/931545945.db2.gz PPBJGZYHHGGSTH-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001276147680 932567153 /nfs/dbraw/zinc/56/71/53/932567153.db2.gz TWMVBXLARSXUSX-CVEARBPZSA-N 2 0 295.471 1.669 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001121922822 937890725 /nfs/dbraw/zinc/89/07/25/937890725.db2.gz PUJJCBPTCMYJSF-ILXRZTDVSA-N 2 0 281.444 1.859 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001568765548 1169468182 /nfs/dbraw/zinc/46/81/82/1169468182.db2.gz QENYVGWOOJEEOT-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001280094107 942417338 /nfs/dbraw/zinc/41/73/38/942417338.db2.gz HQSZXAUFMMETER-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCC1 ZINC001280499473 942454470 /nfs/dbraw/zinc/45/44/70/942454470.db2.gz GCTAAHFTNISJGH-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001281517733 942589094 /nfs/dbraw/zinc/58/90/94/942589094.db2.gz FLYLKXUUWKSYEH-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001281757823 942617664 /nfs/dbraw/zinc/61/76/64/942617664.db2.gz LMCXRJQOLNCAFS-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)C[N@@H+](C)CCC)C1 ZINC001282075969 942655053 /nfs/dbraw/zinc/65/50/53/942655053.db2.gz MSAPOBISLXKMOC-UHFFFAOYSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001316625636 942877049 /nfs/dbraw/zinc/87/70/49/942877049.db2.gz VYFSFPUKKCNYKA-HRCADAONSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001316635866 943286841 /nfs/dbraw/zinc/28/68/41/943286841.db2.gz HORMVHLWEWYOSP-IHRRRGAJSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001277845896 943799529 /nfs/dbraw/zinc/79/95/29/943799529.db2.gz OMJVUVBYPGUZGN-GOEBONIOSA-N 2 0 291.439 1.463 10 30 CDEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264682455 944162251 /nfs/dbraw/zinc/16/22/51/944162251.db2.gz XRUFKMKDOHVZKB-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001265193409 944267726 /nfs/dbraw/zinc/26/77/26/944267726.db2.gz HGZJXKSDXRSSFU-INIZCTEOSA-N 2 0 293.455 1.519 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001265378161 944365151 /nfs/dbraw/zinc/36/51/51/944365151.db2.gz HTRIZYNDEPJVNY-ZIAGYGMSSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265428889 944383727 /nfs/dbraw/zinc/38/37/27/944383727.db2.gz FFVUQAQGYKJMBN-LSDHHAIUSA-N 2 0 277.412 1.073 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001265441525 944389640 /nfs/dbraw/zinc/38/96/40/944389640.db2.gz KMBBSSULQPWVIU-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001265540087 944421689 /nfs/dbraw/zinc/42/16/89/944421689.db2.gz FTLYKNSUHQWDNW-GASCZTMLSA-N 2 0 291.439 1.511 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001265613808 944447280 /nfs/dbraw/zinc/44/72/80/944447280.db2.gz WRCHXYMFBNUHRY-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001265676270 944465661 /nfs/dbraw/zinc/46/56/61/944465661.db2.gz ZEMCMHBXVNGXQL-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266029449 944643189 /nfs/dbraw/zinc/64/31/89/944643189.db2.gz QSACELYTGKXQED-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001266040985 944651448 /nfs/dbraw/zinc/65/14/48/944651448.db2.gz PTGXPASQCXABJQ-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001279315307 944793268 /nfs/dbraw/zinc/79/32/68/944793268.db2.gz GUFLBRUGCWJHLE-BPCQOVAHSA-N 2 0 253.390 1.092 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC001262571283 946721945 /nfs/dbraw/zinc/72/19/45/946721945.db2.gz QIIWPPQQNKWAMS-CYBMUJFWSA-N 2 0 280.416 1.016 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278399454 947559967 /nfs/dbraw/zinc/55/99/67/947559967.db2.gz YSYWSWAQIPNQCW-KGLIPLIRSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001569031698 1169603940 /nfs/dbraw/zinc/60/39/40/1169603940.db2.gz TXNSHJGYXUOQRH-CHWSQXEVSA-N 2 0 255.406 1.243 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001480228076 971637979 /nfs/dbraw/zinc/63/79/79/971637979.db2.gz SKAFTWFMDHJGGQ-XUWVNRHRSA-N 2 0 289.423 1.263 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001480233696 971640307 /nfs/dbraw/zinc/64/03/07/971640307.db2.gz NBBTZIQQUFDBHH-BETUJISGSA-N 2 0 287.835 1.708 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001480832740 971897429 /nfs/dbraw/zinc/89/74/29/971897429.db2.gz FTFUNIOEQXJJIZ-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)C[N@@H+](C)C(C)C)CCOCC1 ZINC001327670927 954991839 /nfs/dbraw/zinc/99/18/39/954991839.db2.gz BVUHTHHRCQOBPV-UHFFFAOYSA-N 2 0 297.443 1.158 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001492128731 955639763 /nfs/dbraw/zinc/63/97/63/955639763.db2.gz DGDPJDUARQGVOL-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001421992997 955691109 /nfs/dbraw/zinc/69/11/09/955691109.db2.gz NDNCAQUXZKZYEE-QWHCGFSZSA-N 2 0 287.835 1.517 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCn1ccnc1C ZINC001329145884 955716486 /nfs/dbraw/zinc/71/64/86/955716486.db2.gz JYGMJIOWPWNCNF-UONOGXRCSA-N 2 0 290.411 1.478 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001480676838 956464770 /nfs/dbraw/zinc/46/47/70/956464770.db2.gz SLVGJVHGMXVJHE-RDJZCZTQSA-N 2 0 291.439 1.487 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001316892877 957100460 /nfs/dbraw/zinc/10/04/60/957100460.db2.gz DNXXKEFQJWOXLX-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001331615658 957170151 /nfs/dbraw/zinc/17/01/51/957170151.db2.gz LTFSUDWHTUXVNM-CHWSQXEVSA-N 2 0 255.406 1.339 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001317086245 957259828 /nfs/dbraw/zinc/25/98/28/957259828.db2.gz FPZITQDRKQCBJS-KKUMJFAQSA-N 2 0 279.428 1.367 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001317126941 957290837 /nfs/dbraw/zinc/29/08/37/957290837.db2.gz BPACSRXCIQAPLM-ZQDZILKHSA-N 2 0 279.428 1.672 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317414306 957461418 /nfs/dbraw/zinc/46/14/18/957461418.db2.gz PZURITCGYBHMRU-CABCVRRESA-N 2 0 297.443 1.015 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001494828281 972318020 /nfs/dbraw/zinc/31/80/20/972318020.db2.gz CMCQUBOTLKGPIY-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001318406011 958092236 /nfs/dbraw/zinc/09/22/36/958092236.db2.gz BSUDTDYMFDWSHG-OAHLLOKOSA-N 2 0 277.412 1.027 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001318560964 958174257 /nfs/dbraw/zinc/17/42/57/958174257.db2.gz FDHGSNTUQKTQEB-SOUVJXGZSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319069900 958364663 /nfs/dbraw/zinc/36/46/63/958364663.db2.gz QAJYLDMVHBCTDM-MGPQQGTHSA-N 2 0 265.401 1.093 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001319821197 958739021 /nfs/dbraw/zinc/73/90/21/958739021.db2.gz ZTTDYGKDBLHVQV-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001320822087 959413357 /nfs/dbraw/zinc/41/33/57/959413357.db2.gz YOLMKUBZHGSWEQ-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001321336078 959726806 /nfs/dbraw/zinc/72/68/06/959726806.db2.gz JIWCZDHREBAPDS-ZWOPJXCPSA-N 2 0 291.439 1.392 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001495361608 972482610 /nfs/dbraw/zinc/48/26/10/972482610.db2.gz ZMODCQOWJSSKBN-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001419623835 961878521 /nfs/dbraw/zinc/87/85/21/961878521.db2.gz IBBYYVGTSJIJIR-AWEZNQCLSA-N 2 0 299.846 1.805 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001341716579 963520036 /nfs/dbraw/zinc/52/00/36/963520036.db2.gz IVAYWPYTLIDJNT-IHRRRGAJSA-N 2 0 267.417 1.611 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439791704 963863388 /nfs/dbraw/zinc/86/33/88/963863388.db2.gz XOQAZVJGTSLIQE-KBPBESRZSA-N 2 0 299.846 1.661 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001544454098 967361326 /nfs/dbraw/zinc/36/13/26/967361326.db2.gz ASPVZKIBDMAKBA-ZIAGYGMSSA-N 2 0 267.417 1.435 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001480624785 970081648 /nfs/dbraw/zinc/08/16/48/970081648.db2.gz UYKZHZJNWKAIGB-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001569638812 1169948638 /nfs/dbraw/zinc/94/86/38/1169948638.db2.gz HUSOPYYDHHBOHT-DZGCQCFKSA-N 2 0 285.407 1.433 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001496452976 972928365 /nfs/dbraw/zinc/92/83/65/972928365.db2.gz WSNXXCGYFGQPPZ-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001498504661 973952769 /nfs/dbraw/zinc/95/27/69/973952769.db2.gz PASAGJVTNXRCHN-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001500292436 974415795 /nfs/dbraw/zinc/41/57/95/974415795.db2.gz JGEKHRQPCFUELK-MRXNPFEDSA-N 2 0 279.428 1.629 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001503583492 974825088 /nfs/dbraw/zinc/82/50/88/974825088.db2.gz POGXFGNDFHYNRH-UONOGXRCSA-N 2 0 267.417 1.080 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505920153 975043645 /nfs/dbraw/zinc/04/36/45/975043645.db2.gz HLCVRCAQJHPBFA-AWEZNQCLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)Cn2ccnc2)C1 ZINC001377725613 975120425 /nfs/dbraw/zinc/12/04/25/975120425.db2.gz MOYLADGHIWWFQN-CYBMUJFWSA-N 2 0 296.802 1.464 10 30 CDEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C ZINC001377961824 975186157 /nfs/dbraw/zinc/18/61/57/975186157.db2.gz FFWUNZFPQCSONZ-UHFFFAOYSA-N 2 0 289.851 1.765 10 30 CDEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001507011860 975294589 /nfs/dbraw/zinc/29/45/89/975294589.db2.gz OJMDJPWDLKSGRY-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001507011857 975294799 /nfs/dbraw/zinc/29/47/99/975294799.db2.gz OJMDJPWDLKSGRY-CVEARBPZSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507026233 975298938 /nfs/dbraw/zinc/29/89/38/975298938.db2.gz ARUOXRUFRJMBMI-UKRRQHHQSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001507317468 975413935 /nfs/dbraw/zinc/41/39/35/975413935.db2.gz GZTBNWKLVVPZOH-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001507329561 975418951 /nfs/dbraw/zinc/41/89/51/975418951.db2.gz WAFCHPNEFXZRBL-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001507863151 975552945 /nfs/dbraw/zinc/55/29/45/975552945.db2.gz PCKNUROODSTDMO-HNNXBMFYSA-N 2 0 281.444 1.683 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001379250384 975729528 /nfs/dbraw/zinc/72/95/28/975729528.db2.gz ROWPAIVODIGFGY-QWHCGFSZSA-N 2 0 287.835 1.660 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392065101 977211385 /nfs/dbraw/zinc/21/13/85/977211385.db2.gz OLQZTXZVXSXDCV-JHJVBQTASA-N 2 0 287.835 1.516 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001571322345 1170365019 /nfs/dbraw/zinc/36/50/19/1170365019.db2.gz ODLXXNIKEWTIKB-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001656386397 1171815592 /nfs/dbraw/zinc/81/55/92/1171815592.db2.gz RWGNMUDPGAGQLQ-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001656763635 1171874258 /nfs/dbraw/zinc/87/42/58/1171874258.db2.gz JJMMVDMIZYHDKH-UONOGXRCSA-N 2 0 267.417 1.482 10 30 CDEERP C=CC[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000651720797 398165483 /nfs/dbraw/zinc/16/54/83/398165483.db2.gz KXICETWIPGUSPD-KGLIPLIRSA-N 2 0 252.402 1.778 10 30 CDEERP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CC[C@@H](C#N)C1)CCO2 ZINC000592184283 342679738 /nfs/dbraw/zinc/67/97/38/342679738.db2.gz IHTAEDMDVSEGLJ-KGLIPLIRSA-N 2 0 263.385 1.475 10 30 CDEERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594439247 342906547 /nfs/dbraw/zinc/90/65/47/342906547.db2.gz UMHGTAMISBUNAV-MGPQQGTHSA-N 2 0 278.400 1.093 10 30 CDEERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594441925 342907704 /nfs/dbraw/zinc/90/77/04/342907704.db2.gz YPZRJKXVYAPPTH-OAHLLOKOSA-N 2 0 294.443 1.729 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001660476877 1172218131 /nfs/dbraw/zinc/21/81/31/1172218131.db2.gz ZOVBFXLSPAEQOW-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C[NH+](C)CCNc1cc(Nc2cnc(C#N)cn2)[nH+]cc1N ZINC000098178650 358756323 /nfs/dbraw/zinc/75/63/23/358756323.db2.gz YXZPTTJDOPURBJ-UHFFFAOYSA-N 2 0 298.354 1.043 10 30 CDEERP C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759610 364821083 /nfs/dbraw/zinc/82/10/83/364821083.db2.gz DNPWIYZUDXVGMC-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CC3)CC[C@H]21 ZINC000528408263 367830386 /nfs/dbraw/zinc/83/03/86/367830386.db2.gz SSIBXYVREXJESR-RBSFLKMASA-N 2 0 277.412 1.457 10 30 CDEERP CC#CC[NH2+]C1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001662138329 1172486652 /nfs/dbraw/zinc/48/66/52/1172486652.db2.gz HCFOVRLXFKOKBG-QQFBHYJXSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000417528431 377878159 /nfs/dbraw/zinc/87/81/59/377878159.db2.gz ONBIFGLGDFSGRC-OAHLLOKOSA-N 2 0 292.427 1.173 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001664443093 1172854683 /nfs/dbraw/zinc/85/46/83/1172854683.db2.gz RNQPSIYAUOVZEE-AWEZNQCLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001664836209 1172918535 /nfs/dbraw/zinc/91/85/35/1172918535.db2.gz QPWMHBHLAPUUST-HZPDHXFCSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000662743933 413416089 /nfs/dbraw/zinc/41/60/89/413416089.db2.gz XGQDGEFPBPOJDA-WBVHZDCISA-N 2 0 291.439 1.629 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@]2(C)CCC[NH2+]C2)CCC[NH2+]1 ZINC000662766156 413462380 /nfs/dbraw/zinc/46/23/80/413462380.db2.gz ZFCOJUNTLUNFLG-CABCVRRESA-N 2 0 265.401 1.191 10 30 CDEERP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020315968 171146047 /nfs/dbraw/zinc/14/60/47/171146047.db2.gz SQKFSVSUWMEXBI-UONOGXRCSA-N 2 0 269.433 1.777 10 30 CDEERP N#Cc1ccc(NC(=O)CC[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000044514279 175189194 /nfs/dbraw/zinc/18/91/94/175189194.db2.gz ATTDIHNZJPRMFA-UHFFFAOYSA-N 2 0 286.379 1.558 10 30 CDEERP C[N@@H+](Cc1cccc(C#CCO)c1)C[C@H]1CC[NH+](C)C1 ZINC000071190503 176066281 /nfs/dbraw/zinc/06/62/81/176066281.db2.gz WHXBKRUGYKTAMF-KRWDZBQOSA-N 2 0 272.392 1.414 10 30 CDEERP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001666290811 1173124869 /nfs/dbraw/zinc/12/48/69/1173124869.db2.gz DDLGJOPRMSEVEE-KKUMJFAQSA-N 2 0 297.418 1.317 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001666355453 1173129840 /nfs/dbraw/zinc/12/98/40/1173129840.db2.gz KRDPOQCCUXVJCJ-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001666674064 1173170865 /nfs/dbraw/zinc/17/08/65/1173170865.db2.gz ZBWDZJQZXXZVQW-HOTGVXAUSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001666982318 1173216745 /nfs/dbraw/zinc/21/67/45/1173216745.db2.gz HAZYRBUDAJJXTP-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653117869 424304552 /nfs/dbraw/zinc/30/45/52/424304552.db2.gz XXMCLRLGBIFQLW-GJZGRUSLSA-N 2 0 277.412 1.284 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001668309756 1173394701 /nfs/dbraw/zinc/39/47/01/1173394701.db2.gz LWXAFBWLZWGBNJ-LBPRGKRZSA-N 2 0 273.808 1.319 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001668904286 1173478299 /nfs/dbraw/zinc/47/82/99/1173478299.db2.gz ALTPIBWIFZCMDI-KJPDOMRESA-N 2 0 293.455 1.945 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001671779838 1173710865 /nfs/dbraw/zinc/71/08/65/1173710865.db2.gz NLRBYMXWOVRICW-QGZVFWFLSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001672319906 1173764811 /nfs/dbraw/zinc/76/48/11/1173764811.db2.gz BKXVMXGPQMXKKW-KBPBESRZSA-N 2 0 267.417 1.198 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001673492179 1173864703 /nfs/dbraw/zinc/86/47/03/1173864703.db2.gz ZENNKYVOELFWNJ-HZPDHXFCSA-N 2 0 293.455 1.663 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267046491 1159098010 /nfs/dbraw/zinc/09/80/10/1159098010.db2.gz DPQDQXCNHRGCLU-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262506398 330018612 /nfs/dbraw/zinc/01/86/12/330018612.db2.gz ZZBFYUOFSNSQLJ-BFHYXJOUSA-N 2 0 264.417 1.530 10 30 CDEERP C=CCCC[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423086966 330168934 /nfs/dbraw/zinc/16/89/34/330168934.db2.gz OJFYRUQZMGAULE-ZDUSSCGKSA-N 2 0 268.401 1.864 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001725583989 1159256391 /nfs/dbraw/zinc/25/63/91/1159256391.db2.gz FKNKKWFSOYJSFP-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001698588469 1175859716 /nfs/dbraw/zinc/85/97/16/1175859716.db2.gz PTYDHVYYGLRGPI-ZIAGYGMSSA-N 2 0 267.417 1.435 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001670793824 1159856294 /nfs/dbraw/zinc/85/62/94/1159856294.db2.gz XNUNNULPRRGFLU-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268364277 1159902630 /nfs/dbraw/zinc/90/26/30/1159902630.db2.gz BZBDLWKZGSKJMD-CABCVRRESA-N 2 0 279.428 1.367 10 30 CDEERP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001700573985 1177020544 /nfs/dbraw/zinc/02/05/44/1177020544.db2.gz HYSDRNFMBMJSPA-UONOGXRCSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001317546175 1160825395 /nfs/dbraw/zinc/82/53/95/1160825395.db2.gz OFXGVDDVNJPUDZ-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001483320225 1160900489 /nfs/dbraw/zinc/90/04/89/1160900489.db2.gz SNGZLNLUMZTHBC-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001483580997 1160950102 /nfs/dbraw/zinc/95/01/02/1160950102.db2.gz WQHSMEIUXWIFPT-LSDHHAIUSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001716482857 1180244342 /nfs/dbraw/zinc/24/43/42/1180244342.db2.gz SGVXSKWGGNCRJN-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP CC[NH+](CC)[C@H](CN/C(N)=[NH+]/O)c1ccccc1 ZINC000052833483 520858377 /nfs/dbraw/zinc/85/83/77/520858377.db2.gz PMCGQSPADNZZMZ-GFCCVEGCSA-N 2 0 250.346 1.363 10 30 CDEERP N#CCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925620525 617566471 /nfs/dbraw/zinc/56/64/71/617566471.db2.gz HHDCPDWHVGGGON-GJZGRUSLSA-N 2 0 271.364 1.948 10 30 CDEERP C=CCC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C1CC1 ZINC000925816183 617771732 /nfs/dbraw/zinc/77/17/32/617771732.db2.gz WIEUDEBQKZWTCS-OAHLLOKOSA-N 2 0 251.418 1.744 10 30 CDEERP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(C#N)ccn1 ZINC000902897855 625557744 /nfs/dbraw/zinc/55/77/44/625557744.db2.gz VUUOEJRJOZZHHY-LBPRGKRZSA-N 2 0 256.353 1.866 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000900241434 622822650 /nfs/dbraw/zinc/82/26/50/622822650.db2.gz STAHBPIRNSNQOQ-KBPBESRZSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000900523973 623156079 /nfs/dbraw/zinc/15/60/79/623156079.db2.gz WGDDWAQRTOGWEO-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000900885266 623606531 /nfs/dbraw/zinc/60/65/31/623606531.db2.gz GRRJABSOQJUOTG-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=C[C@@H]1CCCC[N@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903914763 626133984 /nfs/dbraw/zinc/13/39/84/626133984.db2.gz VWNYLXPDTUAXFD-GDBMZVCRSA-N 2 0 276.428 1.886 10 30 CDEERP N#C[C@@H]1C[NH2+]CC12CC(c1nc([C@@H]3CCC[NH2+]3)no1)C2 ZINC000905304534 626756301 /nfs/dbraw/zinc/75/63/01/626756301.db2.gz LVZPFHMEZUSSJV-PYUIQPRZSA-N 2 0 273.340 1.101 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000907764724 627822804 /nfs/dbraw/zinc/82/28/04/627822804.db2.gz ZZMBJAAVLGMLRI-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP CC[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC[C@@H]1CCCS1 ZINC000157380568 630596209 /nfs/dbraw/zinc/59/62/09/630596209.db2.gz GDIYLLLGPFNMBX-OLZOCXBDSA-N 2 0 284.473 1.531 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+](CC)C(C)C)CC1 ZINC000916164952 631930669 /nfs/dbraw/zinc/93/06/69/631930669.db2.gz LGSSZUBGRMUIGW-UHFFFAOYSA-N 2 0 294.443 1.114 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000876734045 679450858 /nfs/dbraw/zinc/45/08/58/679450858.db2.gz NXZIQSAQFPOIJK-VXGBXAGGSA-N 2 0 273.808 1.303 10 30 CDEERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852862561 677812924 /nfs/dbraw/zinc/81/29/24/677812924.db2.gz BIXPUEHGCGRTML-INIZCTEOSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000876774603 677813641 /nfs/dbraw/zinc/81/36/41/677813641.db2.gz AWZZBSPAOFLNGD-ZIAGYGMSSA-N 2 0 299.846 1.647 10 30 CDEERP CCNC(NC[C@H]1CCCC[N@@H+]1C1CC1)=[NH+]CC ZINC000849023112 678073550 /nfs/dbraw/zinc/07/35/50/678073550.db2.gz MYVNKUSFVWXQHX-CYBMUJFWSA-N 2 0 252.406 1.578 10 30 CDEERP C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925635918 678281328 /nfs/dbraw/zinc/28/13/28/678281328.db2.gz VADYBWKITLCEBI-NWDGAFQWSA-N 2 0 274.430 1.083 10 30 CDEERP CC[N@@H+]1CC[C@H](N(C)C(=O)C#CC2CC[NH2+]CC2)C[C@@H]1C ZINC000852870406 678331534 /nfs/dbraw/zinc/33/15/34/678331534.db2.gz NPBCNNZZAGZGLP-HOCLYGCPSA-N 2 0 291.439 1.321 10 30 CDEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261624142 678383437 /nfs/dbraw/zinc/38/34/37/678383437.db2.gz CAWHBUFYPMAVKH-YNEHKIRRSA-N 2 0 282.432 1.059 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000876772506 678572693 /nfs/dbraw/zinc/57/26/93/678572693.db2.gz OKIIAXVESUJSPS-DRZSPHRISA-N 2 0 287.835 1.645 10 30 CDEERP C[C@@H]1CCC[C@](CNC(=[NH2+])NC[C@@H]2CCCO2)([NH+](C)C)C1 ZINC000066245702 678689028 /nfs/dbraw/zinc/68/90/28/678689028.db2.gz PIHBGJCDFLIXPR-YCPHGPKFSA-N 2 0 296.459 1.580 10 30 CDEERP C[C@H](C[NH2+]Cc1csc(C#N)c1)CN1CC[NH+](C)CC1 ZINC000921686819 678764818 /nfs/dbraw/zinc/76/48/18/678764818.db2.gz YTNNAFUWJCSHQI-CYBMUJFWSA-N 2 0 292.452 1.593 10 30 CDEERP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+]1CCCC[C@H]1C ZINC000852859334 679021523 /nfs/dbraw/zinc/02/15/23/679021523.db2.gz SARHSNXAXIKYOK-CABCVRRESA-N 2 0 291.439 1.369 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000876876865 679105756 /nfs/dbraw/zinc/10/57/56/679105756.db2.gz WFVRNNLSHJRUTJ-DGCLKSJQSA-N 2 0 287.835 1.645 10 30 CDEERP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315440 679371259 /nfs/dbraw/zinc/37/12/59/679371259.db2.gz MHWIDZSIQQFVQY-ZBFHGGJFSA-N 2 0 277.412 1.459 10 30 CDEERP C=CC[NH+]1CCC(N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925550317 679393194 /nfs/dbraw/zinc/39/31/94/679393194.db2.gz QVRGHBCRFFMXEG-HNNXBMFYSA-N 2 0 263.429 1.901 10 30 CDEERP Cc1cc(C#N)cc(C)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000929311593 679401074 /nfs/dbraw/zinc/40/10/74/679401074.db2.gz CVAPBLITPUVIOD-HUUCEWRRSA-N 2 0 255.365 1.826 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000876778570 679519393 /nfs/dbraw/zinc/51/93/93/679519393.db2.gz IQRICUANRILLHY-CYBMUJFWSA-N 2 0 299.846 1.933 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000922165676 679619256 /nfs/dbraw/zinc/61/92/56/679619256.db2.gz JWKAOYAFMWFSPT-UHFFFAOYSA-N 2 0 279.428 1.581 10 30 CDEERP N#Cc1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)o1 ZINC000923447728 679652879 /nfs/dbraw/zinc/65/28/79/679652879.db2.gz WHCRJAPAHWTSPG-AWEZNQCLSA-N 2 0 275.352 1.481 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001691074584 1158891678 /nfs/dbraw/zinc/89/16/78/1158891678.db2.gz DCRHIHXHHHCBGE-CQSZACIVSA-N 2 0 267.417 1.435 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001671359425 1158716807 /nfs/dbraw/zinc/71/68/07/1158716807.db2.gz GFFXXBCBQZNAFA-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001566952223 1168478794 /nfs/dbraw/zinc/47/87/94/1168478794.db2.gz ANKXHQIRCGCYIH-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001567713070 1168926302 /nfs/dbraw/zinc/92/63/02/1168926302.db2.gz VJHPPUMXJSUNIP-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001568209261 1169179593 /nfs/dbraw/zinc/17/95/93/1169179593.db2.gz RYVJUZAEHZJSPE-LSDHHAIUSA-N 2 0 281.444 1.635 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001569614257 1169937442 /nfs/dbraw/zinc/93/74/42/1169937442.db2.gz PUKIMQFZOLQQLU-HOTGVXAUSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CCOCC1 ZINC001569734942 1169979989 /nfs/dbraw/zinc/97/99/89/1169979989.db2.gz XQDOBQGOUMKVGK-UHFFFAOYSA-N 2 0 297.443 1.159 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC(C)C)CC1 ZINC001570653622 1170224112 /nfs/dbraw/zinc/22/41/12/1170224112.db2.gz UDCCDXOSVJBDQI-LSDHHAIUSA-N 2 0 293.455 1.470 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001570716116 1170249655 /nfs/dbraw/zinc/24/96/55/1170249655.db2.gz MZLLZSXGYKKWTM-LBPRGKRZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001571657779 1170511489 /nfs/dbraw/zinc/51/14/89/1170511489.db2.gz VSPFHSAZGAFMBU-GPANFISMSA-N 2 0 291.439 1.483 10 30 CDEERP C#CCNC(=O)C1CC[NH+](CC2CC[NH+](CC)CC2)CC1 ZINC001657889660 1171992945 /nfs/dbraw/zinc/99/29/45/1171992945.db2.gz GQDQSCLDIDXMAC-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001663431057 1172694481 /nfs/dbraw/zinc/69/44/81/1172694481.db2.gz NLYNIAHUUAWMHS-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001671419055 1173680443 /nfs/dbraw/zinc/68/04/43/1173680443.db2.gz KUIKEIPDNADUJS-CQSZACIVSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1 ZINC001673168406 1173832160 /nfs/dbraw/zinc/83/21/60/1173832160.db2.gz KUGYZVKFUARJRB-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001674723161 1173998058 /nfs/dbraw/zinc/99/80/58/1173998058.db2.gz WHMLIFOZEIHAEV-QWHCGFSZSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001689809600 1174668293 /nfs/dbraw/zinc/66/82/93/1174668293.db2.gz AZXKEQZJPFHCCP-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001688885964 1175055072 /nfs/dbraw/zinc/05/50/72/1175055072.db2.gz FILFRUKNYHFRCF-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001690687224 1175544993 /nfs/dbraw/zinc/54/49/93/1175544993.db2.gz GCLIPVMIKOKVRA-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001690787382 1175572963 /nfs/dbraw/zinc/57/29/63/1175572963.db2.gz HUPMPJCWVNJJMR-HUUCEWRRSA-N 2 0 279.428 1.367 10 30 CDEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690814818 1175578118 /nfs/dbraw/zinc/57/81/18/1175578118.db2.gz LTPXETFNJVVLDP-HNNXBMFYSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691910449 1175649780 /nfs/dbraw/zinc/64/97/80/1175649780.db2.gz MXYUJCJLUIUGQO-LSDHHAIUSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001698709097 1175900283 /nfs/dbraw/zinc/90/02/83/1175900283.db2.gz ANBANSFPRUCZCI-BZUAXINKSA-N 2 0 291.439 1.511 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001698935097 1175988014 /nfs/dbraw/zinc/98/80/14/1175988014.db2.gz MTFLZJLDTAGGMS-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001698988581 1176018142 /nfs/dbraw/zinc/01/81/42/1176018142.db2.gz HRPLQZGJZDZZMW-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699554880 1176473402 /nfs/dbraw/zinc/47/34/02/1176473402.db2.gz ZUWTWNPSNVPBPQ-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001699844205 1176653557 /nfs/dbraw/zinc/65/35/57/1176653557.db2.gz JLOMSCORJFQBPQ-KRWDZBQOSA-N 2 0 295.471 1.979 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001700762085 1177118435 /nfs/dbraw/zinc/11/84/35/1177118435.db2.gz TYCYZDVVTPRPSU-LBPRGKRZSA-N 2 0 284.363 1.326 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001707050590 1177924698 /nfs/dbraw/zinc/92/46/98/1177924698.db2.gz KRVKLOVPUBETNK-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001713003746 1178294804 /nfs/dbraw/zinc/29/48/04/1178294804.db2.gz LHJXHQUMAACANQ-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[N@@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001713476813 1178593049 /nfs/dbraw/zinc/59/30/49/1178593049.db2.gz QJXBWSREBNVOSA-UHFFFAOYSA-N 2 0 289.423 1.986 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001713742113 1178732571 /nfs/dbraw/zinc/73/25/71/1178732571.db2.gz RTDWLJMSLZBPDN-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001713756052 1178739118 /nfs/dbraw/zinc/73/91/18/1178739118.db2.gz MYDJINBTWXQJCV-HNNXBMFYSA-N 2 0 279.428 1.132 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001714082499 1178964676 /nfs/dbraw/zinc/96/46/76/1178964676.db2.gz OCLKJHQJNNMXCE-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714623556 1179273842 /nfs/dbraw/zinc/27/38/42/1179273842.db2.gz KOVMOCGZROSSNJ-RRFJBIMHSA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001714623148 1179274283 /nfs/dbraw/zinc/27/42/83/1179274283.db2.gz VXOAIHDGIYPJSD-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001714772451 1179390131 /nfs/dbraw/zinc/39/01/31/1179390131.db2.gz PPMOAAHSWYPRBF-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001714883657 1179437449 /nfs/dbraw/zinc/43/74/49/1179437449.db2.gz DBLKMJYATRRXDU-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001714905916 1179447021 /nfs/dbraw/zinc/44/70/21/1179447021.db2.gz BCFBYRDZARICRJ-LSDHHAIUSA-N 2 0 279.428 1.295 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001715161495 1179566899 /nfs/dbraw/zinc/56/68/99/1179566899.db2.gz ZRPATKLYELDJSP-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001715177650 1179569774 /nfs/dbraw/zinc/56/97/74/1179569774.db2.gz YZRQCSJYUCQTHP-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001715402321 1179657062 /nfs/dbraw/zinc/65/70/62/1179657062.db2.gz PIMIMYJJGYSDTH-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001715455699 1179671232 /nfs/dbraw/zinc/67/12/32/1179671232.db2.gz GACDAYYWKDBZQO-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001715563665 1179717886 /nfs/dbraw/zinc/71/78/86/1179717886.db2.gz QJPQYMUIOZSCKG-LSDHHAIUSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001716009660 1179982335 /nfs/dbraw/zinc/98/23/35/1179982335.db2.gz RQFRVWMWJUWPJI-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001716154302 1180074931 /nfs/dbraw/zinc/07/49/31/1180074931.db2.gz XNYBEAYBAZAAES-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001716440765 1180211923 /nfs/dbraw/zinc/21/19/23/1180211923.db2.gz RBJJFYMBOCPZAU-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001716466171 1180225393 /nfs/dbraw/zinc/22/53/93/1180225393.db2.gz VKLKMXXNAPUHOL-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCC(=C)C)CC1 ZINC001716465610 1180225451 /nfs/dbraw/zinc/22/54/51/1180225451.db2.gz DQEFSQLAZIXKCX-HNNXBMFYSA-N 2 0 291.439 1.392 10 30 CDEERP C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001716969350 1180485556 /nfs/dbraw/zinc/48/55/56/1180485556.db2.gz MTVORGOUBNBEIB-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001717084176 1180527310 /nfs/dbraw/zinc/52/73/10/1180527310.db2.gz JPCQPLKLZIMQNK-HRCADAONSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001717293654 1180607834 /nfs/dbraw/zinc/60/78/34/1180607834.db2.gz PTGRIIALAMRCDS-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001717376714 1180638020 /nfs/dbraw/zinc/63/80/20/1180638020.db2.gz WTMJGQVWENGMSU-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+][C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001717719911 1180806103 /nfs/dbraw/zinc/80/61/03/1180806103.db2.gz RXZGVLVFJRCESO-JKSUJKDBSA-N 2 0 293.455 1.635 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001717738440 1180818323 /nfs/dbraw/zinc/81/83/23/1180818323.db2.gz JVDNTAXUMRKHPN-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001723055698 1181514666 /nfs/dbraw/zinc/51/46/66/1181514666.db2.gz QXTBXPVUJAXFDU-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001723193668 1181525458 /nfs/dbraw/zinc/52/54/58/1181525458.db2.gz ALQJOKOTLKDHKF-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001723297723 1181533144 /nfs/dbraw/zinc/53/31/44/1181533144.db2.gz KUPKZQIXGAIMJI-HZPDHXFCSA-N 2 0 291.439 1.367 10 30 CDEERP C#CCC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001723699684 1181593866 /nfs/dbraw/zinc/59/38/66/1181593866.db2.gz NPAVODJWYRNZHY-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001724658353 1181716754 /nfs/dbraw/zinc/71/67/54/1181716754.db2.gz WDBYVSCTVYQLBZ-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCC1 ZINC001724799916 1181758322 /nfs/dbraw/zinc/75/83/22/1181758322.db2.gz JNQMARSQIWKFKH-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001725183592 1181910798 /nfs/dbraw/zinc/91/07/98/1181910798.db2.gz WCGXNMLDRQQPBQ-CQSZACIVSA-N 2 0 283.460 1.977 10 30 CDEERP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001725444000 1182002453 /nfs/dbraw/zinc/00/24/53/1182002453.db2.gz OLARDFWYBQORKK-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001725637012 1182081512 /nfs/dbraw/zinc/08/15/12/1182081512.db2.gz UQQXMOHMIRMRMC-ZBFHGGJFSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001731239773 1182268781 /nfs/dbraw/zinc/26/87/81/1182268781.db2.gz AZKLHRFQRFAEAG-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001731333310 1182325670 /nfs/dbraw/zinc/32/56/70/1182325670.db2.gz IXXPBTCPTYLGLO-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001731405467 1182367815 /nfs/dbraw/zinc/36/78/15/1182367815.db2.gz KQONRAUGZCANBT-ZBFHGGJFSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001731632290 1182492976 /nfs/dbraw/zinc/49/29/76/1182492976.db2.gz FRFJJBYUUSXTEB-MNOVXSKESA-N 2 0 261.797 1.173 10 30 CDEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001732209627 1182858822 /nfs/dbraw/zinc/85/88/22/1182858822.db2.gz NWVGPWLILZDYKE-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001732894135 1183174063 /nfs/dbraw/zinc/17/40/63/1183174063.db2.gz JMYCZENHSDSTGM-AATRIKPKSA-N 2 0 265.401 1.166 10 30 CDEERP C#CC[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001733294324 1183381259 /nfs/dbraw/zinc/38/12/59/1183381259.db2.gz ZPDLVGYLRZQZSL-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001733451817 1183436675 /nfs/dbraw/zinc/43/66/75/1183436675.db2.gz RROCFVQWEVIRGU-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001733534201 1183458777 /nfs/dbraw/zinc/45/87/77/1183458777.db2.gz CFIYVTDUAUVBKZ-HOCLYGCPSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001733538199 1183458785 /nfs/dbraw/zinc/45/87/85/1183458785.db2.gz MYJSKXYFBRMHNV-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001733935514 1183574903 /nfs/dbraw/zinc/57/49/03/1183574903.db2.gz IZXUPXFCSZIWLP-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001734020724 1183616440 /nfs/dbraw/zinc/61/64/40/1183616440.db2.gz TYWOUKOXYCRGTJ-OAHLLOKOSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001734023746 1183616862 /nfs/dbraw/zinc/61/68/62/1183616862.db2.gz NZAVGHODBQYDNU-OAHLLOKOSA-N 2 0 295.471 1.979 10 30 CDEERP C#CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)C1 ZINC001734153713 1183676988 /nfs/dbraw/zinc/67/69/88/1183676988.db2.gz JUPFUSHGYZBMDZ-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001734215126 1183693490 /nfs/dbraw/zinc/69/34/90/1183693490.db2.gz MATVPHGCYFHNKZ-MGPQQGTHSA-N 2 0 290.411 1.649 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001734429362 1183776185 /nfs/dbraw/zinc/77/61/85/1183776185.db2.gz DLWDOFYUGFTMEP-ZIAGYGMSSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C[NH+](C)C)C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC001137058274 1165418652 /nfs/dbraw/zinc/41/86/52/1165418652.db2.gz JQWOBUPCOXIVRO-UHFFFAOYSA-N 2 0 279.359 1.944 10 30 CDEERP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001566497901 1168309874 /nfs/dbraw/zinc/30/98/74/1168309874.db2.gz LLQNQAOHNPREEN-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001566703874 1168392351 /nfs/dbraw/zinc/39/23/51/1168392351.db2.gz DAVOQDRNCVIOSU-KGLIPLIRSA-N 2 0 265.401 1.141 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567097303 1168559792 /nfs/dbraw/zinc/55/97/92/1168559792.db2.gz YLFUVKYZQHSSPF-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001567177226 1168605320 /nfs/dbraw/zinc/60/53/20/1168605320.db2.gz SRMWSQNUKKHYDV-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001272563568 913447758 /nfs/dbraw/zinc/44/77/58/913447758.db2.gz CGMCTYHCDCMUSB-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001567452783 1168773289 /nfs/dbraw/zinc/77/32/89/1168773289.db2.gz ZBRLLSPZIGNNMK-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001266338777 894440656 /nfs/dbraw/zinc/44/06/56/894440656.db2.gz CQPJLZXCYQGLKX-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266467787 894994825 /nfs/dbraw/zinc/99/48/25/894994825.db2.gz DAWKZHMGQGNCTM-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001283261737 896324815 /nfs/dbraw/zinc/32/48/15/896324815.db2.gz SBUHDVLKPJDLIK-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001267281284 897456920 /nfs/dbraw/zinc/45/69/20/897456920.db2.gz ZCUPWHWPBYJSAW-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH+](C)CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001480934107 897677485 /nfs/dbraw/zinc/67/74/85/897677485.db2.gz AUITXAZOROFLNV-INIZCTEOSA-N 2 0 287.407 1.361 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001267517056 898205502 /nfs/dbraw/zinc/20/55/02/898205502.db2.gz LWAWNEKBZYLOAE-DLBZAZTESA-N 2 0 299.418 1.551 10 30 CDEERP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)CC[NH+](C)CC)C1 ZINC001267549405 898324140 /nfs/dbraw/zinc/32/41/40/898324140.db2.gz WNRFMAULWSCPEH-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481101879 898829317 /nfs/dbraw/zinc/82/93/17/898829317.db2.gz DYIWVPQLBATUIL-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267686626 899274743 /nfs/dbraw/zinc/27/47/43/899274743.db2.gz SQMFHZDYQJFMPH-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)CC[NH+](C)C ZINC001267818577 899808306 /nfs/dbraw/zinc/80/83/06/899808306.db2.gz KDQDIGKJOQPKFT-NSHDSACASA-N 2 0 261.797 1.175 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001267988514 900207413 /nfs/dbraw/zinc/20/74/13/900207413.db2.gz UJZYSXDBRKFFGA-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001268093104 901226491 /nfs/dbraw/zinc/22/64/91/901226491.db2.gz HNWOHEVNDZHZSR-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)CCC)C(C)C ZINC001268223866 901599171 /nfs/dbraw/zinc/59/91/71/901599171.db2.gz QSQZGXMWAYNWGT-AWEZNQCLSA-N 2 0 267.417 1.082 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001481751764 902013588 /nfs/dbraw/zinc/01/35/88/902013588.db2.gz OUCYCBTXWYZMSN-HNNXBMFYSA-N 2 0 279.428 1.581 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001268427337 902041876 /nfs/dbraw/zinc/04/18/76/902041876.db2.gz WABLLOZXBXJHFC-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001567777879 1168965506 /nfs/dbraw/zinc/96/55/06/1168965506.db2.gz XGGJEWWRQWCQCV-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001481941872 902384305 /nfs/dbraw/zinc/38/43/05/902384305.db2.gz YIAQTTJVGXAOBU-CJNGLKHVSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)c1sccc1C[NH+](C)C ZINC001268545716 902540023 /nfs/dbraw/zinc/54/00/23/902540023.db2.gz SLZITOPCQUPYCY-AATRIKPKSA-N 2 0 291.420 1.319 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268555802 902555978 /nfs/dbraw/zinc/55/59/78/902555978.db2.gz LOQDRKFCYWCSPB-QDNWOOLPSA-N 2 0 289.423 1.289 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268595113 902727464 /nfs/dbraw/zinc/72/74/64/902727464.db2.gz HAVSBSYNWUJWHJ-WAVCKPEOSA-N 2 0 291.439 1.536 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268595112 902728000 /nfs/dbraw/zinc/72/80/00/902728000.db2.gz HAVSBSYNWUJWHJ-PTZVLDCSSA-N 2 0 291.439 1.536 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001268647781 902895975 /nfs/dbraw/zinc/89/59/75/902895975.db2.gz HKLBTHPHVGGVTH-LLVKDONJSA-N 2 0 279.409 1.151 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269273707 903637473 /nfs/dbraw/zinc/63/74/73/903637473.db2.gz AVPXFZXCNXKRNB-LSDHHAIUSA-N 2 0 279.428 1.129 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001269403460 903779625 /nfs/dbraw/zinc/77/96/25/903779625.db2.gz WMHSXVFNIQLVMD-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001269413447 903791526 /nfs/dbraw/zinc/79/15/26/903791526.db2.gz VAAUVQCRBGCTNY-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001269672754 904025114 /nfs/dbraw/zinc/02/51/14/904025114.db2.gz ZJJVGAJAFXTELJ-GOEBONIOSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001270041322 904299736 /nfs/dbraw/zinc/29/97/36/904299736.db2.gz COKMHXQFDHBSRQ-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001270287987 904504887 /nfs/dbraw/zinc/50/48/87/904504887.db2.gz WMPLZPJEWRJUAB-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001270623707 904826233 /nfs/dbraw/zinc/82/62/33/904826233.db2.gz JQVCZMKZGHNULC-AWEZNQCLSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001482437005 905408007 /nfs/dbraw/zinc/40/80/07/905408007.db2.gz XMUSPKCGXGAJNY-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001271510457 906489234 /nfs/dbraw/zinc/48/92/34/906489234.db2.gz WUQZVVILVAZBNU-GJZGRUSLSA-N 2 0 289.423 1.075 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000922171154 921307045 /nfs/dbraw/zinc/30/70/45/921307045.db2.gz GQYNIGNTCCBAFB-UHFFFAOYSA-N 2 0 265.401 1.191 10 30 CDEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484123989 915450286 /nfs/dbraw/zinc/45/02/86/915450286.db2.gz VVFNXKASILPYIM-DOTOQJQBSA-N 2 0 295.471 1.977 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484349186 915656432 /nfs/dbraw/zinc/65/64/32/915656432.db2.gz ZESGINZDOHXAMA-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001484724005 916084094 /nfs/dbraw/zinc/08/40/94/916084094.db2.gz MDBXEPGIJRSZRZ-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484978236 916357150 /nfs/dbraw/zinc/35/71/50/916357150.db2.gz AJBICSDPGACISM-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001484994580 916377446 /nfs/dbraw/zinc/37/74/46/916377446.db2.gz GWEPMIMFYITFIZ-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C=CCCC[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485351580 916872752 /nfs/dbraw/zinc/87/27/52/916872752.db2.gz VGZCHOGLVGOWAL-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272780855 919267322 /nfs/dbraw/zinc/26/73/22/919267322.db2.gz CHZNNYDAKVZXGS-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001568274378 1169216445 /nfs/dbraw/zinc/21/64/45/1169216445.db2.gz UUFREGFCWINTGA-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485913683 920572790 /nfs/dbraw/zinc/57/27/90/920572790.db2.gz QSBKYLKVRIASAT-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001485956332 920598397 /nfs/dbraw/zinc/59/83/97/920598397.db2.gz VRAICOLEKVUXQC-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494154926 921006840 /nfs/dbraw/zinc/00/68/40/921006840.db2.gz AAPOIFZRZUJODH-HNNXBMFYSA-N 2 0 279.428 1.132 10 30 CDEERP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001276388525 936725448 /nfs/dbraw/zinc/72/54/48/936725448.db2.gz IQTLGRFYYUCJSK-HIFRSBDPSA-N 2 0 279.428 1.032 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001568367176 1169262007 /nfs/dbraw/zinc/26/20/07/1169262007.db2.gz FNWQSLASNJTZAQ-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491180627 936869964 /nfs/dbraw/zinc/86/99/64/936869964.db2.gz UKDFQLMBWJBPHW-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001649464305 1169265834 /nfs/dbraw/zinc/26/58/34/1169265834.db2.gz QELBUSAMAPPERT-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C1(CC)CCN(C(=O)Cn2ccnc2C)CC1 ZINC001273802072 925951345 /nfs/dbraw/zinc/95/13/45/925951345.db2.gz NOWWUSPTHDVADH-UHFFFAOYSA-N 2 0 290.411 1.738 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001488835207 926731784 /nfs/dbraw/zinc/73/17/84/926731784.db2.gz UYXNESMKXJCMAC-BZUAXINKSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001568464449 1169299640 /nfs/dbraw/zinc/29/96/40/1169299640.db2.gz WKTVNDVAZPXHAX-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001317635700 928242882 /nfs/dbraw/zinc/24/28/82/928242882.db2.gz FTHWBLMCKNBFFO-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001274345462 931493010 /nfs/dbraw/zinc/49/30/10/931493010.db2.gz VEVDBWMTMKJOFZ-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001274389231 931496418 /nfs/dbraw/zinc/49/64/18/931496418.db2.gz UMRHLKMXXCGQFO-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001275265812 931717602 /nfs/dbraw/zinc/71/76/02/931717602.db2.gz DTIVSGMPSUYVII-MELADBBJSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001275729749 931983211 /nfs/dbraw/zinc/98/32/11/931983211.db2.gz OQZJBMPMQDMAFQ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275827744 932069738 /nfs/dbraw/zinc/06/97/38/932069738.db2.gz LMDRDLNWYKXXNP-HNNXBMFYSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001490857281 934562537 /nfs/dbraw/zinc/56/25/37/934562537.db2.gz FAVRHFQDYUYJQY-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001276588315 940390982 /nfs/dbraw/zinc/39/09/82/940390982.db2.gz HNYQWIIHGGEXIW-YUELXQCFSA-N 2 0 279.428 1.387 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001329622703 940698392 /nfs/dbraw/zinc/69/83/92/940698392.db2.gz FJTAGYGTAXOIPZ-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001276815647 941466588 /nfs/dbraw/zinc/46/65/88/941466588.db2.gz VNBOZDOQJKNYHB-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001277259390 942253359 /nfs/dbraw/zinc/25/33/59/942253359.db2.gz MPWQXYPHYPHAPP-AWEZNQCLSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001280197488 942422711 /nfs/dbraw/zinc/42/27/11/942422711.db2.gz ILIQMAIJHORPED-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001282399494 942706894 /nfs/dbraw/zinc/70/68/94/942706894.db2.gz SPHBXOAYYQESPB-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001282652959 942735785 /nfs/dbraw/zinc/73/57/85/942735785.db2.gz CQRWKKSUZGVGOO-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001277539564 942938499 /nfs/dbraw/zinc/93/84/99/942938499.db2.gz XKDHZCHSWFIBFE-MRXNPFEDSA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n1ccnc1CC ZINC001277825495 943716612 /nfs/dbraw/zinc/71/66/12/943716612.db2.gz BSDZHXIEJYGCQR-KGLIPLIRSA-N 2 0 290.411 1.466 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001277864151 943887636 /nfs/dbraw/zinc/88/76/36/943887636.db2.gz UDOGFWGYDZLTPQ-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001263921237 944031769 /nfs/dbraw/zinc/03/17/69/944031769.db2.gz LVWLQQKYMJWNKH-JKSUJKDBSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001265815404 944519864 /nfs/dbraw/zinc/51/98/64/944519864.db2.gz ZCDHSWRXOOIDPA-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001266142991 944710835 /nfs/dbraw/zinc/71/08/35/944710835.db2.gz JDEZJTVQCBSKRF-INIZCTEOSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001266182603 944738507 /nfs/dbraw/zinc/73/85/07/944738507.db2.gz LZSVQBQNQGJKMI-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)CCCn2ccnc2)CC1 ZINC001278095173 944767053 /nfs/dbraw/zinc/76/70/53/944767053.db2.gz VMHCLLPWWVNJTF-UHFFFAOYSA-N 2 0 288.395 1.267 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266226247 944768914 /nfs/dbraw/zinc/76/89/14/944768914.db2.gz ZSNLPZZNJXUNCH-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001279288585 944790598 /nfs/dbraw/zinc/79/05/98/944790598.db2.gz VZKRBHVXLHKYDQ-FHERZECASA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001278467651 948465465 /nfs/dbraw/zinc/46/54/65/948465465.db2.gz SUTAJRTYBSQJFC-ZBFHGGJFSA-N 2 0 279.428 1.626 10 30 CDEERP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001479987549 971524627 /nfs/dbraw/zinc/52/46/27/971524627.db2.gz ZXLZCYGTLLWDMD-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001480171915 971612440 /nfs/dbraw/zinc/61/24/40/971612440.db2.gz ASCDBEMUGZDRQU-WKILWMFISA-N 2 0 291.439 1.513 10 30 CDEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278572714 950215064 /nfs/dbraw/zinc/21/50/64/950215064.db2.gz QKKMQQMLGJRRJL-HOCLYGCPSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001278607748 950434531 /nfs/dbraw/zinc/43/45/31/950434531.db2.gz HNQDHAZJNRXKBQ-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001278671977 951453384 /nfs/dbraw/zinc/45/33/84/951453384.db2.gz DYTIKXTYDRXFNK-QGZVFWFLSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001480666065 971830345 /nfs/dbraw/zinc/83/03/45/971830345.db2.gz RJAPAUDFVUZVBW-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001480666858 971832053 /nfs/dbraw/zinc/83/20/53/971832053.db2.gz ZPZAVJKPTCELGU-CQSZACIVSA-N 2 0 279.428 1.036 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001493269727 972003986 /nfs/dbraw/zinc/00/39/86/972003986.db2.gz YRLHGSLCBYVQBO-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001327162206 954742559 /nfs/dbraw/zinc/74/25/59/954742559.db2.gz HZTBFIAJIJHTPA-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001328459106 955301479 /nfs/dbraw/zinc/30/14/79/955301479.db2.gz MGQQEYDZFYIFJB-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001493592082 972087069 /nfs/dbraw/zinc/08/70/69/972087069.db2.gz RVTQANULPXGOIC-ZIAGYGMSSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001328859324 955517728 /nfs/dbraw/zinc/51/77/28/955517728.db2.gz PIXHLNWSLBUGMC-UYSNPLJNSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)CC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001492386051 955849994 /nfs/dbraw/zinc/84/99/94/955849994.db2.gz KHICJTBFWHVASK-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001493255472 955887789 /nfs/dbraw/zinc/88/77/89/955887789.db2.gz UQDLPHCYQGEJLN-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001317358567 956218217 /nfs/dbraw/zinc/21/82/17/956218217.db2.gz SKFANBSAEFIXKF-AWEZNQCLSA-N 2 0 276.384 1.287 10 30 CDEERP C=CC[C@@]1(C(=O)NCc2ccccc2C[NH3+])CCC[NH2+]1 ZINC001330584723 956497818 /nfs/dbraw/zinc/49/78/18/956497818.db2.gz NVBIMXFVCFWWEO-INIZCTEOSA-N 2 0 273.380 1.460 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001494301356 972206327 /nfs/dbraw/zinc/20/63/27/972206327.db2.gz AXVZNPFOIRJZMD-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001424038547 957096944 /nfs/dbraw/zinc/09/69/44/957096944.db2.gz GWSRHWZBOXQLAI-YPMHNXCESA-N 2 0 287.835 1.375 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001317058192 957233386 /nfs/dbraw/zinc/23/33/86/957233386.db2.gz UTRRFKXXDJTWHY-GJZGRUSLSA-N 2 0 279.428 1.626 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001317092683 957265811 /nfs/dbraw/zinc/26/58/11/957265811.db2.gz FXYIVLTYXNMLTQ-JYJNAYRXSA-N 2 0 285.391 1.159 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001317295183 957409113 /nfs/dbraw/zinc/40/91/13/957409113.db2.gz VEQNIPQNXJSDPY-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317454076 957486657 /nfs/dbraw/zinc/48/66/57/957486657.db2.gz YXUKXIPPFYMPRE-ZDUSSCGKSA-N 2 0 255.406 1.197 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001317597286 957590369 /nfs/dbraw/zinc/59/03/69/957590369.db2.gz FAHQUITVWLLDIW-VXGBXAGGSA-N 2 0 262.357 1.137 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001425683332 957598836 /nfs/dbraw/zinc/59/88/36/957598836.db2.gz NJHRKBHBMCQFHV-VXGBXAGGSA-N 2 0 273.808 1.127 10 30 CDEERP C#CC[NH+](C)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001317880127 957706162 /nfs/dbraw/zinc/70/61/62/957706162.db2.gz RRWIXIBNRAZSKA-OAHLLOKOSA-N 2 0 291.439 1.132 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001494901693 972333519 /nfs/dbraw/zinc/33/35/19/972333519.db2.gz VVZZOMXOEOZQHY-GJZGRUSLSA-N 2 0 299.434 1.775 10 30 CDEERP C#CC[NH+]1CC=C(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001333354735 958277334 /nfs/dbraw/zinc/27/73/34/958277334.db2.gz PDTQJNQKNCOXJR-MRXNPFEDSA-N 2 0 289.423 1.242 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H](C[NH3+])CC(C)C)CCC[NH2+]1 ZINC001333630442 958465527 /nfs/dbraw/zinc/46/55/27/958465527.db2.gz OOZRIVKIXMKSJB-TZMCWYRMSA-N 2 0 253.390 1.174 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001494985745 972365175 /nfs/dbraw/zinc/36/51/75/972365175.db2.gz BMNIUVMFVAVZBI-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCO[C@H]1CC[NH+](CCC[N@H+]2CC[C@H](OCC=C)C2)C1 ZINC001320038361 958895521 /nfs/dbraw/zinc/89/55/21/958895521.db2.gz QSXFGUDIHMKCFH-IRXDYDNUSA-N 2 0 294.439 1.930 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001320890801 959442499 /nfs/dbraw/zinc/44/24/99/959442499.db2.gz ACRSHCOFUPVUNG-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1CC ZINC001569341281 1169772408 /nfs/dbraw/zinc/77/24/08/1169772408.db2.gz WZVJCTJZTLCDBC-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001322306144 960176445 /nfs/dbraw/zinc/17/64/45/960176445.db2.gz IHXVMIIFWVCKLY-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001322305600 960177638 /nfs/dbraw/zinc/17/76/38/960177638.db2.gz FPAULZLEQMLUNM-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001322998892 960398404 /nfs/dbraw/zinc/39/84/04/960398404.db2.gz DJTVSAWBAFODGR-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001419913884 962231221 /nfs/dbraw/zinc/23/12/21/962231221.db2.gz YOFIDUZZGUEIHR-NWDGAFQWSA-N 2 0 273.808 1.175 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC001346289768 965030622 /nfs/dbraw/zinc/03/06/22/965030622.db2.gz ZOOBGXHVCQRHEO-CZUORRHYSA-N 2 0 292.427 1.160 10 30 CDEERP C#CCN(C(=O)[C@H](C)CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC001558506910 965302841 /nfs/dbraw/zinc/30/28/41/965302841.db2.gz JZURLQSLTUAABD-CQSZACIVSA-N 2 0 279.428 1.130 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH+](CC)CC)CC1 ZINC001347659870 965645751 /nfs/dbraw/zinc/64/57/51/965645751.db2.gz KQPNCIFQJVQDMH-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC001544237754 967347776 /nfs/dbraw/zinc/34/77/76/967347776.db2.gz MQWYUUZBTGJXSP-AWEZNQCLSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC001353331767 967906290 /nfs/dbraw/zinc/90/62/90/967906290.db2.gz YUEJBBRNUOCQQI-MRXNPFEDSA-N 2 0 292.427 1.174 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC001356620511 969443953 /nfs/dbraw/zinc/44/39/53/969443953.db2.gz DMDLZCZSFISMGW-CQSZACIVSA-N 2 0 294.443 1.406 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001496639980 973004664 /nfs/dbraw/zinc/00/46/64/973004664.db2.gz WGHHMYWGJOAPPI-CQSZACIVSA-N 2 0 269.433 1.633 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001497219339 973249180 /nfs/dbraw/zinc/24/91/80/973249180.db2.gz FVDKKQFGCMEVMU-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001497660325 973455242 /nfs/dbraw/zinc/45/52/42/973455242.db2.gz DNLBRJGUYRRRDB-SQRWCISFSA-N 2 0 293.455 1.947 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001417982560 973513989 /nfs/dbraw/zinc/51/39/89/973513989.db2.gz JKDWXSHLZQYVPE-KGLIPLIRSA-N 2 0 299.846 1.708 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001498053775 973651080 /nfs/dbraw/zinc/65/10/80/973651080.db2.gz SAPFMKSOPVUYQZ-DZGCQCFKSA-N 2 0 277.412 1.121 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001498424304 973902068 /nfs/dbraw/zinc/90/20/68/973902068.db2.gz DRKBCZVPBGMFGI-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001499260671 974223682 /nfs/dbraw/zinc/22/36/82/974223682.db2.gz BITOGCWYJZHAFM-UHFFFAOYSA-N 2 0 289.423 1.124 10 30 CDEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CCCF)CC1 ZINC001500048516 974363285 /nfs/dbraw/zinc/36/32/85/974363285.db2.gz NYMFGQWGKYFUKH-UHFFFAOYSA-N 2 0 297.418 1.224 10 30 CDEERP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001569724058 1169977020 /nfs/dbraw/zinc/97/70/20/1169977020.db2.gz OVIGWEDJCIQRTM-KRWDZBQOSA-N 2 0 293.455 1.570 10 30 CDEERP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001501172011 974544572 /nfs/dbraw/zinc/54/45/72/974544572.db2.gz LPZIPBCGEVNWKF-QKPAOTATSA-N 2 0 293.455 1.872 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001502371700 974727660 /nfs/dbraw/zinc/72/76/60/974727660.db2.gz VNPLKLRYRRIKRS-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001505536042 974902510 /nfs/dbraw/zinc/90/25/10/974902510.db2.gz JNCFFDLPGXYJGX-SLTAFYQDSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001507289606 975400878 /nfs/dbraw/zinc/40/08/78/975400878.db2.gz SLPOGYYKWOJABG-KGLIPLIRSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(Cl)CN1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001397244562 975510960 /nfs/dbraw/zinc/51/09/60/975510960.db2.gz SWHUPVHGNLJXTM-FRRDWIJNSA-N 2 0 287.835 1.658 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001390041234 976099321 /nfs/dbraw/zinc/09/93/21/976099321.db2.gz VNXCLAVKDQVBOK-OKILXGFUSA-N 2 0 299.846 1.852 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001674140662 1173917688 /nfs/dbraw/zinc/91/76/88/1173917688.db2.gz HWBLMUIJBPXJQN-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001675139139 1174079324 /nfs/dbraw/zinc/07/93/24/1174079324.db2.gz AMIRRWHNUKNCAW-HZPDHXFCSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001676222655 1174193249 /nfs/dbraw/zinc/19/32/49/1174193249.db2.gz WKFOWUQALRHPKQ-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001676397958 1174219039 /nfs/dbraw/zinc/21/90/39/1174219039.db2.gz XGNZQGMDNPURER-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001677251863 1174340289 /nfs/dbraw/zinc/34/02/89/1174340289.db2.gz AHNFQPKQWQAXFB-KFWWJZLASA-N 2 0 293.455 1.470 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001571335352 1170370550 /nfs/dbraw/zinc/37/05/50/1170370550.db2.gz FJBTXBOHNIIPIN-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001571632373 1170503292 /nfs/dbraw/zinc/50/32/92/1170503292.db2.gz SIFYLPRWEOPTBX-GFCCVEGCSA-N 2 0 255.406 1.245 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001571658652 1170512789 /nfs/dbraw/zinc/51/27/89/1170512789.db2.gz GNERDZRWMOCMKQ-HWOWSKLDSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001656175903 1171783224 /nfs/dbraw/zinc/78/32/24/1171783224.db2.gz KZUUFHMSQJCZFN-OWCLPIDISA-N 2 0 293.455 1.777 10 30 CDEERP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001656303066 1171804569 /nfs/dbraw/zinc/80/45/69/1171804569.db2.gz WIPPKSZYVLTXKC-RRFJBIMHSA-N 2 0 297.418 1.174 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000594424317 342904045 /nfs/dbraw/zinc/90/40/45/342904045.db2.gz ANOKHYUHJVNWHF-LBPRGKRZSA-N 2 0 266.389 1.175 10 30 CDEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000595060959 343000929 /nfs/dbraw/zinc/00/09/29/343000929.db2.gz JEQLUKBOJFHBNH-ARFHVFGLSA-N 2 0 280.460 1.930 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001661473996 1172396098 /nfs/dbraw/zinc/39/60/98/1172396098.db2.gz TVKBELPBEUZGSH-RBSFLKMASA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001661753572 1172440908 /nfs/dbraw/zinc/44/09/08/1172440908.db2.gz YHNFRJJLHNYBMA-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP COC[C@@H](CCC[NH3+])[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000423028814 392956721 /nfs/dbraw/zinc/95/67/21/392956721.db2.gz RFSAQRPDACGWKA-OAHLLOKOSA-N 2 0 273.380 1.891 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC[C@H](CC[NH3+])C2)CCC[NH2+]1 ZINC000662774286 413472707 /nfs/dbraw/zinc/47/27/07/413472707.db2.gz QITGHUZYIZSBSM-HIFRSBDPSA-N 2 0 265.401 1.272 10 30 CDEERP C=CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C)COC ZINC000662298811 414623371 /nfs/dbraw/zinc/62/33/71/414623371.db2.gz HGHLBZRZHKHBJE-CHWSQXEVSA-N 2 0 254.374 1.030 10 30 CDEERP [NH3+]CC#Cc1ccsc1C[N@@H+]1CCCC[C@H]1CCO ZINC000043683554 175092416 /nfs/dbraw/zinc/09/24/16/175092416.db2.gz BDDJOORGLPLYPG-AWEZNQCLSA-N 2 0 278.421 1.795 10 30 CDEERP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#CC[NH3+])cc2)C1 ZINC000044560313 175204340 /nfs/dbraw/zinc/20/43/40/175204340.db2.gz RTDPMXODUUKJNZ-HNNXBMFYSA-N 2 0 285.391 1.068 10 30 CDEERP CCC[N@H+](CCN(C)C)Cc1cccc(C#CC[NH3+])c1 ZINC000045707168 175382731 /nfs/dbraw/zinc/38/27/31/175382731.db2.gz XMCBCCRBXQZVTR-UHFFFAOYSA-N 2 0 273.424 1.770 10 30 CDEERP CN(Cc1sccc1C#CC[NH3+])C[C@@H]1CC[N@H+](C)C1 ZINC000071190472 176066843 /nfs/dbraw/zinc/06/68/43/176066843.db2.gz HIIHPZSOVULISQ-CYBMUJFWSA-N 2 0 277.437 1.442 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CCC=C)CC1 ZINC001666673538 1173169818 /nfs/dbraw/zinc/16/98/18/1173169818.db2.gz QCICTIYXGMOEJK-HNNXBMFYSA-N 2 0 291.439 1.250 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCC[NH2+]1 ZINC000662683130 424315480 /nfs/dbraw/zinc/31/54/80/424315480.db2.gz WOFRDHAUDWHKCP-GJZGRUSLSA-N 2 0 297.468 1.238 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H](C)C[NH+](CC)CC)CCC[NH2+]1 ZINC000662691486 424323641 /nfs/dbraw/zinc/32/36/41/424323641.db2.gz IZNASAWSAIDLOW-ZFWWWQNUSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001671564864 1173690053 /nfs/dbraw/zinc/69/00/53/1173690053.db2.gz ZDGQLBZEUIKBLC-HOCLYGCPSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[N@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001671675079 1173701597 /nfs/dbraw/zinc/70/15/97/1173701597.db2.gz SPLTYFJOVDYMCM-ZBFHGGJFSA-N 2 0 288.395 1.438 10 30 CDEERP C=CCCC[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001671672037 1173701795 /nfs/dbraw/zinc/70/17/95/1173701795.db2.gz CZEIEIICOFOLGD-NVXWUHKLSA-N 2 0 293.455 1.875 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CN(C)C(NC[C@@H]1CCC[C@@H]1O)=[NH+]C ZINC000262776428 330030923 /nfs/dbraw/zinc/03/09/23/330030923.db2.gz JLRCPEYKZKFELK-ZNMIVQPWSA-N 2 0 296.459 1.139 10 30 CDEERP C=C(C)CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001690946904 1175623837 /nfs/dbraw/zinc/62/38/37/1175623837.db2.gz TYBKGUABHMVHDS-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001670793823 1159856811 /nfs/dbraw/zinc/85/68/11/1159856811.db2.gz XNUNNULPRRGFLU-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001700851196 1160034768 /nfs/dbraw/zinc/03/47/68/1160034768.db2.gz WLLOQECBDFDEKL-ZIAGYGMSSA-N 2 0 277.412 1.237 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC001700920841 1160103003 /nfs/dbraw/zinc/10/30/03/1160103003.db2.gz BSEHDDGJHARWLT-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001733336173 1161238258 /nfs/dbraw/zinc/23/82/58/1161238258.db2.gz RIFILJVAFQNXMO-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CCC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001486448313 1161455421 /nfs/dbraw/zinc/45/54/21/1161455421.db2.gz IQUTZGIFBZAXQM-AWEZNQCLSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001734063636 1183643803 /nfs/dbraw/zinc/64/38/03/1183643803.db2.gz AEEODBBOGJZUEK-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001688896646 1175059375 /nfs/dbraw/zinc/05/93/75/1175059375.db2.gz HSTKAUMVAJGLBP-INIZCTEOSA-N 2 0 291.439 1.418 10 30 CDEERP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941032276 613225568 /nfs/dbraw/zinc/22/55/68/613225568.db2.gz GWWNSBTYONPDSZ-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941217302 613328484 /nfs/dbraw/zinc/32/84/84/613328484.db2.gz MGBSUOMEOYNDIL-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939544546 613349830 /nfs/dbraw/zinc/34/98/30/613349830.db2.gz KLSSCROOHJETDU-UONOGXRCSA-N 2 0 277.412 1.095 10 30 CDEERP N#CCN1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925609436 617553861 /nfs/dbraw/zinc/55/38/61/617553861.db2.gz UCHDVLHQWVQAPD-DLBZAZTESA-N 2 0 290.455 1.732 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000900241436 622822905 /nfs/dbraw/zinc/82/29/05/622822905.db2.gz STAHBPIRNSNQOQ-UONOGXRCSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000900802561 623554119 /nfs/dbraw/zinc/55/41/19/623554119.db2.gz WFHPRZNXXCREQY-LSDHHAIUSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[N@@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903913164 626145295 /nfs/dbraw/zinc/14/52/95/626145295.db2.gz AGGZJCHPEFFULU-CYBMUJFWSA-N 2 0 262.401 1.496 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000908176868 628052685 /nfs/dbraw/zinc/05/26/85/628052685.db2.gz FZWJCTOFAWMLJT-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1[C@@H](C)CCC[C@H]1CC[NH+](C)C ZINC000912650013 630127472 /nfs/dbraw/zinc/12/74/72/630127472.db2.gz HBYCVAXYCOITHK-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP C[NH+](C)CC[C@@H](NC(=O)C#CC1CC[NH2+]CC1)C(C)(C)C ZINC000852869197 681512887 /nfs/dbraw/zinc/51/28/87/681512887.db2.gz YXOXLCLCPYGJEE-OAHLLOKOSA-N 2 0 293.455 1.472 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCCC(=O)OC ZINC000303770385 681817405 /nfs/dbraw/zinc/81/74/05/681817405.db2.gz BXNRSYDTVQSGMV-CYBMUJFWSA-N 2 0 298.431 1.108 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CCC[NH2+]1 ZINC000877339466 682500428 /nfs/dbraw/zinc/50/04/28/682500428.db2.gz ANPKQNBTVFGRCP-WMZOPIPTSA-N 2 0 299.418 1.515 10 30 CDEERP C=CC[C@@H](C)[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000878337382 682590637 /nfs/dbraw/zinc/59/06/37/682590637.db2.gz ATQMOMCKEXEFHR-CQSZACIVSA-N 2 0 268.401 1.110 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000876729800 683222152 /nfs/dbraw/zinc/22/21/52/683222152.db2.gz XQHOLAAYOMNMQM-JQWIXIFHSA-N 2 0 273.808 1.304 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000876716687 683283061 /nfs/dbraw/zinc/28/30/61/683283061.db2.gz KCTLQJRGGRXEDH-VXGBXAGGSA-N 2 0 275.824 1.549 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CCC[NH2+]1 ZINC000877339464 683652637 /nfs/dbraw/zinc/65/26/37/683652637.db2.gz ANPKQNBTVFGRCP-FUHWJXTLSA-N 2 0 299.418 1.515 10 30 CDEERP CC1(C)[C@@H]([NH2+]CCNc2ccc(C#N)cn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925893709 683721210 /nfs/dbraw/zinc/72/12/10/683721210.db2.gz QIIGGPXGXSIQSJ-KBMXLJTQSA-N 2 0 299.422 1.731 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000876756099 683841449 /nfs/dbraw/zinc/84/14/49/683841449.db2.gz ZKADIPZGOKFSRI-OLZOCXBDSA-N 2 0 285.819 1.543 10 30 CDEERP C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866709384 683893337 /nfs/dbraw/zinc/89/33/37/683893337.db2.gz XACQRUCUWFQTKA-CJNGLKHVSA-N 2 0 279.428 1.470 10 30 CDEERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000926812366 683923426 /nfs/dbraw/zinc/92/34/26/683923426.db2.gz MLOMRNWVAWKDOY-HZSIZEEPSA-N 2 0 281.403 1.955 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[NH2+]C ZINC000876946280 683968511 /nfs/dbraw/zinc/96/85/11/683968511.db2.gz PWYJJKUSGDKBSS-ZDUSSCGKSA-N 2 0 281.787 1.492 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@@H+](C)CC(C)C ZINC000876944806 684002943 /nfs/dbraw/zinc/00/29/43/684002943.db2.gz UFFVRNVKXDNQBD-LBPRGKRZSA-N 2 0 275.824 1.550 10 30 CDEERP C[NH+]=C(NC[C@]1(C)CCOC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261997678 684022463 /nfs/dbraw/zinc/02/24/63/684022463.db2.gz SWAJGAVYTRNPHU-FMKPAKJESA-N 2 0 296.459 1.307 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877409716 684180007 /nfs/dbraw/zinc/18/00/07/684180007.db2.gz YUPLEBZAAJVPIE-QWHCGFSZSA-N 2 0 299.846 1.885 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001691370225 1159041762 /nfs/dbraw/zinc/04/17/62/1159041762.db2.gz INKVFHUGDAANGG-OAGGEKHMSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001699390845 1159556492 /nfs/dbraw/zinc/55/64/92/1159556492.db2.gz ITYBKHGFPHJDJU-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567415625 1168743398 /nfs/dbraw/zinc/74/33/98/1168743398.db2.gz PIABYBOOZRQQFG-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[N@@H+](CCNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001567450466 1168771118 /nfs/dbraw/zinc/77/11/18/1168771118.db2.gz HCINNUBVJAQSBW-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001568392350 1169272479 /nfs/dbraw/zinc/27/24/79/1169272479.db2.gz NRSRFSRKIDDFRC-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]21 ZINC001568514730 1169342002 /nfs/dbraw/zinc/34/20/02/1169342002.db2.gz BEEHKTNNUMDCRZ-HOTGVXAUSA-N 2 0 293.455 1.826 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001569118813 1169668214 /nfs/dbraw/zinc/66/82/14/1169668214.db2.gz WIFBNIAUFTWGEO-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001571463891 1170439577 /nfs/dbraw/zinc/43/95/77/1170439577.db2.gz CZUMHIQNOGEKCI-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001657101907 1171930084 /nfs/dbraw/zinc/93/00/84/1171930084.db2.gz KJFWHRPOFOEHSY-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C#C[C@@H](CO)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001659753433 1172135031 /nfs/dbraw/zinc/13/50/31/1172135031.db2.gz FOMHHDIVBGORCC-INIZCTEOSA-N 2 0 290.382 1.416 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001661963808 1172470391 /nfs/dbraw/zinc/47/03/91/1172470391.db2.gz KMGTYJBCFHCPBO-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001663991975 1172797382 /nfs/dbraw/zinc/79/73/82/1172797382.db2.gz GKUJIQMBYFROCK-VXGBXAGGSA-N 2 0 262.357 1.137 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001669206327 1173517237 /nfs/dbraw/zinc/51/72/37/1173517237.db2.gz BTUUZFKINULJKF-ARJAWSKDSA-N 2 0 299.846 1.877 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001690951765 1175625407 /nfs/dbraw/zinc/62/54/07/1175625407.db2.gz YGKMNAVUPGIUPZ-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001698954769 1175994387 /nfs/dbraw/zinc/99/43/87/1175994387.db2.gz WAYPVCZBPLICPC-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001699315672 1176217233 /nfs/dbraw/zinc/21/72/33/1176217233.db2.gz USDOTRHQHAEOPL-AATRIKPKSA-N 2 0 277.412 1.004 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)c1ccccc1CC[NH+](C)C ZINC001699324876 1176235945 /nfs/dbraw/zinc/23/59/45/1176235945.db2.gz WALLSZFZWQHQGR-FPLPWBNLSA-N 2 0 299.418 1.300 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001699472625 1176433606 /nfs/dbraw/zinc/43/36/06/1176433606.db2.gz VWXGUUHFWFXYSR-KBPBESRZSA-N 2 0 269.433 1.585 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001699634602 1176530707 /nfs/dbraw/zinc/53/07/07/1176530707.db2.gz SHRJCLHVJAIGTB-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)CC)C1CCCC1 ZINC001699802251 1176626974 /nfs/dbraw/zinc/62/69/74/1176626974.db2.gz WUNGHIQQOSSKNH-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001699962192 1176699539 /nfs/dbraw/zinc/69/95/39/1176699539.db2.gz CKHZRXKHKYTQBO-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001700271296 1176826617 /nfs/dbraw/zinc/82/66/17/1176826617.db2.gz KQKLYCMDJBGCHO-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001700279648 1176829306 /nfs/dbraw/zinc/82/93/06/1176829306.db2.gz WXGZZVHVXZZZNQ-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001700378919 1176885079 /nfs/dbraw/zinc/88/50/79/1176885079.db2.gz CVIVADONITXBPI-QQFBHYJXSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001700417277 1176916672 /nfs/dbraw/zinc/91/66/72/1176916672.db2.gz GBDIKTGJNQAUPH-STQMWFEESA-N 2 0 267.417 1.387 10 30 CDEERP C#CCC[NH2+]C[C@H](CCCC)NC(=O)C1CC[NH+](C)CC1 ZINC001700520102 1176992847 /nfs/dbraw/zinc/99/28/47/1176992847.db2.gz IAGNYTUNYCHQMK-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001700888963 1177179559 /nfs/dbraw/zinc/17/95/59/1177179559.db2.gz RUYJZPASHCZLDB-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001707067095 1177937852 /nfs/dbraw/zinc/93/78/52/1177937852.db2.gz ZUXIZIYEJJIPOE-OWCLPIDISA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001707252812 1177983526 /nfs/dbraw/zinc/98/35/26/1177983526.db2.gz REZVVJHCOCZLNZ-FRRDWIJNSA-N 2 0 253.390 1.092 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001712999402 1178293472 /nfs/dbraw/zinc/29/34/72/1178293472.db2.gz MKMWELROSMVPRF-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001713117001 1178377659 /nfs/dbraw/zinc/37/76/59/1178377659.db2.gz NUPMWLJPLJRNHX-CVEARBPZSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713150716 1178397217 /nfs/dbraw/zinc/39/72/17/1178397217.db2.gz SCXICYITEQCMGK-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001713220922 1178440838 /nfs/dbraw/zinc/44/08/38/1178440838.db2.gz VZELUMJLQWIHGO-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713238195 1178448191 /nfs/dbraw/zinc/44/81/91/1178448191.db2.gz FGTLBSKPIJUPRL-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001713410609 1178543099 /nfs/dbraw/zinc/54/30/99/1178543099.db2.gz VSPXKIVQLHFWCZ-OLZOCXBDSA-N 2 0 255.406 1.243 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)Cc1c[nH]cn1 ZINC001713418201 1178548891 /nfs/dbraw/zinc/54/88/91/1178548891.db2.gz AFTAFOSAOXCQCF-LLVKDONJSA-N 2 0 250.346 1.013 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713452952 1178573462 /nfs/dbraw/zinc/57/34/62/1178573462.db2.gz JBRPALRYOHKLOM-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001713478192 1178594099 /nfs/dbraw/zinc/59/40/99/1178594099.db2.gz RXJOSELXRATVEE-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713739566 1178731169 /nfs/dbraw/zinc/73/11/69/1178731169.db2.gz FSNOMRMXCUBVPR-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001713849554 1178791879 /nfs/dbraw/zinc/79/18/79/1178791879.db2.gz ICHKLVMQXVGVKP-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001714048192 1178945559 /nfs/dbraw/zinc/94/55/59/1178945559.db2.gz FLSQSRPROUKYMR-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001714080125 1178963895 /nfs/dbraw/zinc/96/38/95/1178963895.db2.gz SVACSBPGPKURCS-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001714384966 1179115949 /nfs/dbraw/zinc/11/59/49/1179115949.db2.gz KCUWZHNLOWQKSP-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001714412864 1179128676 /nfs/dbraw/zinc/12/86/76/1179128676.db2.gz SUXJGNHGONKNBC-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001714435780 1179138553 /nfs/dbraw/zinc/13/85/53/1179138553.db2.gz ZZDSWAPPAPZXCD-CQSZACIVSA-N 2 0 279.428 1.084 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001714798875 1179402727 /nfs/dbraw/zinc/40/27/27/1179402727.db2.gz YQZYBHIDIWZNSD-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001714866309 1179429204 /nfs/dbraw/zinc/42/92/04/1179429204.db2.gz LZLNLKWUNIRUEG-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001715258227 1179599828 /nfs/dbraw/zinc/59/98/28/1179599828.db2.gz ZZOCBZXSMGUSJB-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001715422911 1179662440 /nfs/dbraw/zinc/66/24/40/1179662440.db2.gz VOQWNXSIDWYACX-UONOGXRCSA-N 2 0 267.417 1.339 10 30 CDEERP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001715441614 1179668260 /nfs/dbraw/zinc/66/82/60/1179668260.db2.gz ZOULQXXIJCXPBF-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001716586378 1180294760 /nfs/dbraw/zinc/29/47/60/1180294760.db2.gz TUULVCAGBSEGLJ-UHFFFAOYSA-N 2 0 289.423 1.986 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001716785899 1180414724 /nfs/dbraw/zinc/41/47/24/1180414724.db2.gz VYXOFUZDSRGYJR-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001716849082 1180439278 /nfs/dbraw/zinc/43/92/78/1180439278.db2.gz QNWBNRVRMTVQQQ-QGZVFWFLSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCC1 ZINC001717153247 1180550899 /nfs/dbraw/zinc/55/08/99/1180550899.db2.gz OGGXTEDMHBKFAM-GJZGRUSLSA-N 2 0 289.423 1.265 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001717376038 1180635044 /nfs/dbraw/zinc/63/50/44/1180635044.db2.gz IZIWHHVPTXGUCL-UONOGXRCSA-N 2 0 265.401 1.047 10 30 CDEERP C=CCOCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001717437359 1180672100 /nfs/dbraw/zinc/67/21/00/1180672100.db2.gz FJOCVLIZOIELIF-UONOGXRCSA-N 2 0 297.443 1.014 10 30 CDEERP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001717606375 1180756317 /nfs/dbraw/zinc/75/63/17/1180756317.db2.gz RVZKJKQLOTUAME-QKDCVEJESA-N 2 0 279.428 1.198 10 30 CDEERP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001717623847 1180763424 /nfs/dbraw/zinc/76/34/24/1180763424.db2.gz NUTNQDPYMHVMDV-SOUVJXGZSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001717748570 1180828017 /nfs/dbraw/zinc/82/80/17/1180828017.db2.gz LJIKTNDESUASMR-CQSZACIVSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717822118 1180879830 /nfs/dbraw/zinc/87/98/30/1180879830.db2.gz NRWDHXZKIPJQPI-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001723142167 1181520898 /nfs/dbraw/zinc/52/08/98/1181520898.db2.gz KYVNQUXKVRFEDZ-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001724076672 1181633907 /nfs/dbraw/zinc/63/39/07/1181633907.db2.gz JCMFGWQXJMLYSY-HOTGVXAUSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001725056995 1181837851 /nfs/dbraw/zinc/83/78/51/1181837851.db2.gz IFIKWPRDDXBXKM-JKSUJKDBSA-N 2 0 291.439 1.132 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001725084774 1181851799 /nfs/dbraw/zinc/85/17/99/1181851799.db2.gz CONSDXWGIJHRPN-CHWSQXEVSA-N 2 0 267.417 1.530 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001725184338 1181912463 /nfs/dbraw/zinc/91/24/63/1181912463.db2.gz YEAAZJLQMHJSTF-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001725194545 1181918220 /nfs/dbraw/zinc/91/82/20/1181918220.db2.gz LBXZBNYPWLHUDJ-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001731239581 1182268096 /nfs/dbraw/zinc/26/80/96/1182268096.db2.gz BKCRUBFMGQYJBQ-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001731600052 1182472006 /nfs/dbraw/zinc/47/20/06/1182472006.db2.gz GRQHQNQYMIYZNU-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001731632291 1182492357 /nfs/dbraw/zinc/49/23/57/1182492357.db2.gz FRFJJBYUUSXTEB-QWRGUYRKSA-N 2 0 261.797 1.173 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001731994327 1182718366 /nfs/dbraw/zinc/71/83/66/1182718366.db2.gz QGFBEGXBVMSHPA-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001732051410 1182740952 /nfs/dbraw/zinc/74/09/52/1182740952.db2.gz UBUZZMYFHUACQH-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001732076369 1182752683 /nfs/dbraw/zinc/75/26/83/1182752683.db2.gz PLWDVXXPVDUJJU-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH+](C)CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001732089074 1182758570 /nfs/dbraw/zinc/75/85/70/1182758570.db2.gz WWHPGEIHGMQZDS-UHFFFAOYSA-N 2 0 279.428 1.132 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001732217992 1182865103 /nfs/dbraw/zinc/86/51/03/1182865103.db2.gz MUWLKRJUWZKVQM-OAHLLOKOSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)CC[N@@H+](C)CC)CCCC1 ZINC001732234326 1182874276 /nfs/dbraw/zinc/87/42/76/1182874276.db2.gz LERBFZUJVSVYAP-UHFFFAOYSA-N 2 0 281.444 1.923 10 30 CDEERP C=C(C)C[NH+]1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001732324482 1182906143 /nfs/dbraw/zinc/90/61/43/1182906143.db2.gz DNUPHDMCICGLED-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001732999174 1183230448 /nfs/dbraw/zinc/23/04/48/1183230448.db2.gz RNJIIGSJHPUGGR-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001733122380 1183297917 /nfs/dbraw/zinc/29/79/17/1183297917.db2.gz SOBNVJUXFLTSOC-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cnc1C ZINC001733777766 1183530052 /nfs/dbraw/zinc/53/00/52/1183530052.db2.gz QXWGEBYYMUAWRO-UHFFFAOYSA-N 2 0 264.373 1.227 10 30 CDEERP C=CC[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001733809672 1183537051 /nfs/dbraw/zinc/53/70/51/1183537051.db2.gz POTKALDKEAYKPL-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001733948714 1183580266 /nfs/dbraw/zinc/58/02/66/1183580266.db2.gz JZMJSATUNAGWPB-PFSRBDOWSA-N 2 0 279.428 1.387 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001734432616 1183777760 /nfs/dbraw/zinc/77/77/60/1183777760.db2.gz NUQYRHFGPDEMOL-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001734456757 1183785890 /nfs/dbraw/zinc/78/58/90/1183785890.db2.gz HNLWMPJUXOUHMO-ZBFHGGJFSA-N 2 0 291.439 1.463 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001750929808 1184783990 /nfs/dbraw/zinc/78/39/90/1184783990.db2.gz PXIVASRWDCFNJN-INIZCTEOSA-N 2 0 291.439 1.418 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691706125 1164426052 /nfs/dbraw/zinc/42/60/52/1164426052.db2.gz MDWQGYMWJLOVSJ-GASCZTMLSA-N 2 0 291.439 1.369 10 30 CDEERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC001626999531 1165971829 /nfs/dbraw/zinc/97/18/29/1165971829.db2.gz BNXMXEPQPPNOFQ-UONOGXRCSA-N 2 0 292.427 1.211 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001275168472 1166661354 /nfs/dbraw/zinc/66/13/54/1166661354.db2.gz XOXJCIYYNHQNBO-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001565914337 1168200713 /nfs/dbraw/zinc/20/07/13/1168200713.db2.gz DSWZPIQXWOYQPS-LSDHHAIUSA-N 2 0 291.439 1.533 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C ZINC001565971770 1168207315 /nfs/dbraw/zinc/20/73/15/1168207315.db2.gz LSPUBYYYBLVMKH-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001566566583 1168339872 /nfs/dbraw/zinc/33/98/72/1168339872.db2.gz GFBQMTGIAWIIIV-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001566802077 1168427428 /nfs/dbraw/zinc/42/74/28/1168427428.db2.gz KELWHYLFJJOFJC-JOCQHMNTSA-N 2 0 265.401 1.141 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001567173539 1168606055 /nfs/dbraw/zinc/60/60/55/1168606055.db2.gz MXKHNQBKUKPMJM-CVEARBPZSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001567455853 1168759820 /nfs/dbraw/zinc/75/98/20/1168759820.db2.gz KVWBCGCXTQTCDU-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001266425438 894805084 /nfs/dbraw/zinc/80/50/84/894805084.db2.gz OPBKMZYGHLPMMQ-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001266479741 895026046 /nfs/dbraw/zinc/02/60/46/895026046.db2.gz BXKCNMMSIRUKGM-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266517819 895195457 /nfs/dbraw/zinc/19/54/57/895195457.db2.gz NYNPXANOPAUWPH-CABCVRRESA-N 2 0 281.444 1.587 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266970367 896469131 /nfs/dbraw/zinc/46/91/31/896469131.db2.gz CPIHZCBAEUGNLN-XJKSGUPXSA-N 2 0 299.434 1.869 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001267090087 896743792 /nfs/dbraw/zinc/74/37/92/896743792.db2.gz OPDNVIRUIYNMIH-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001267112233 896820666 /nfs/dbraw/zinc/82/06/66/896820666.db2.gz WXCVDMHMXWABQA-HOTGVXAUSA-N 2 0 293.455 1.663 10 30 CDEERP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001267112234 896822461 /nfs/dbraw/zinc/82/24/61/896822461.db2.gz WXCVDMHMXWABQA-HZPDHXFCSA-N 2 0 293.455 1.663 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267195584 897108300 /nfs/dbraw/zinc/10/83/00/897108300.db2.gz GMMWDUJBGPKFRD-OAHLLOKOSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267545183 898309865 /nfs/dbraw/zinc/30/98/65/898309865.db2.gz PJVOZTLIUSRQID-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267567432 898388569 /nfs/dbraw/zinc/38/85/69/898388569.db2.gz CEKLNTHEYTYBJR-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001267584831 898557919 /nfs/dbraw/zinc/55/79/19/898557919.db2.gz JMIIBGHGMIXCMM-AWEZNQCLSA-N 2 0 279.428 1.437 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267588579 898588258 /nfs/dbraw/zinc/58/82/58/898588258.db2.gz WOKLDCHGLNJXPU-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001481095318 898808675 /nfs/dbraw/zinc/80/86/75/898808675.db2.gz HQCZOIQDRBZLQL-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001267717211 899361998 /nfs/dbraw/zinc/36/19/98/899361998.db2.gz WHRIUDGSQHXVHZ-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP CC#CC[NH2+]C[C@](C)(NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001267857558 899880981 /nfs/dbraw/zinc/88/09/81/899880981.db2.gz BOADHYDOQDQSIH-YOEHRIQHSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001567692506 1168919708 /nfs/dbraw/zinc/91/97/08/1168919708.db2.gz BYCSPMWYXGDZSG-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001268093520 901230490 /nfs/dbraw/zinc/23/04/90/901230490.db2.gz XGMGZVVMIMWXDE-OAHLLOKOSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001268211986 901582177 /nfs/dbraw/zinc/58/21/77/901582177.db2.gz JQTMRXAFIJQMMQ-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001268226369 901604747 /nfs/dbraw/zinc/60/47/47/901604747.db2.gz IOTQMOCCYJWRFT-UONOGXRCSA-N 2 0 267.417 1.245 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001268253066 901674060 /nfs/dbraw/zinc/67/40/60/901674060.db2.gz JXTQFCCIQBLQQS-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001481704621 901856316 /nfs/dbraw/zinc/85/63/16/901856316.db2.gz APNVUKKIYBBQOH-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268348078 901910765 /nfs/dbraw/zinc/91/07/65/901910765.db2.gz GBDOOICYXDRRFX-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001268396327 901991047 /nfs/dbraw/zinc/99/10/47/901991047.db2.gz IOZUTMYTFSJARB-LLVKDONJSA-N 2 0 261.797 1.175 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269187783 903525773 /nfs/dbraw/zinc/52/57/73/903525773.db2.gz WJIDDITUIUPGRX-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269250759 903612323 /nfs/dbraw/zinc/61/23/23/903612323.db2.gz HZRWMSZSDHLCSC-KGLIPLIRSA-N 2 0 267.417 1.291 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001269794424 904117599 /nfs/dbraw/zinc/11/75/99/904117599.db2.gz QUDHGSZTUNWQIB-UKRRQHHQSA-N 2 0 279.428 1.435 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCC1 ZINC001270431886 904632440 /nfs/dbraw/zinc/63/24/40/904632440.db2.gz QGXUFXORBWGMMS-GOEBONIOSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001270624371 904832448 /nfs/dbraw/zinc/83/24/48/904832448.db2.gz PEJBHQVWIJVFFL-GDBMZVCRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH+]1CC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001567849222 1169015365 /nfs/dbraw/zinc/01/53/65/1169015365.db2.gz UXDOTOAHSVYXHX-ZIAGYGMSSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001270649791 904879367 /nfs/dbraw/zinc/87/93/67/904879367.db2.gz PUCJCXMSIAJSSU-UKRRQHHQSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001270857252 905174362 /nfs/dbraw/zinc/17/43/62/905174362.db2.gz FANARHVYDUIROL-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)CC[N@@H+](C)CC)C1CCCCC1 ZINC001271354919 906266352 /nfs/dbraw/zinc/26/63/52/906266352.db2.gz UOMUIJARIZDTJF-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001271836740 906881193 /nfs/dbraw/zinc/88/11/93/906881193.db2.gz CVIBCYCEAIQSQY-HUUCEWRRSA-N 2 0 279.428 1.245 10 30 CDEERP CC#CC[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001482603851 907860083 /nfs/dbraw/zinc/86/00/83/907860083.db2.gz VGHLSBUYLNHAKY-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001483420413 911090545 /nfs/dbraw/zinc/09/05/45/911090545.db2.gz ITVUWEPZVFFHDX-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCCC[NH+](C)C ZINC001483443234 911126097 /nfs/dbraw/zinc/12/60/97/911126097.db2.gz KDTQNYPXWWOXRY-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001483794879 915072190 /nfs/dbraw/zinc/07/21/90/915072190.db2.gz LYYTXLJTPARSIK-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001484095102 915427565 /nfs/dbraw/zinc/42/75/65/915427565.db2.gz BHJKJZCSGLDWTC-RDJZCZTQSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001484573263 915895560 /nfs/dbraw/zinc/89/55/60/915895560.db2.gz KUMDYYPJYJNLAG-WKILWMFISA-N 2 0 291.439 1.370 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001568190504 1169169286 /nfs/dbraw/zinc/16/92/86/1169169286.db2.gz KMSBCUWBEJBPQM-CQSZACIVSA-N 2 0 281.444 1.636 10 30 CDEERP C=CCCC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485351577 916871071 /nfs/dbraw/zinc/87/10/71/916871071.db2.gz VGZCHOGLVGOWAL-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001485615054 917137842 /nfs/dbraw/zinc/13/78/42/917137842.db2.gz VVTXFJWJLMMONI-QKDCVEJESA-N 2 0 279.428 1.198 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001272881525 919961630 /nfs/dbraw/zinc/96/16/30/919961630.db2.gz HLWGMPYYTPCKOM-CYBMUJFWSA-N 2 0 298.390 1.764 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001276400424 936627433 /nfs/dbraw/zinc/62/74/33/936627433.db2.gz ZCEHXUWRENNGFW-OKILXGFUSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001139870011 936654845 /nfs/dbraw/zinc/65/48/45/936654845.db2.gz WERIHNYUMLINGW-GASCZTMLSA-N 2 0 281.444 1.826 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001485921739 920579087 /nfs/dbraw/zinc/57/90/87/920579087.db2.gz CUDOJEWFYFLZAP-CYBMUJFWSA-N 2 0 267.417 1.034 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001486086316 920685031 /nfs/dbraw/zinc/68/50/31/920685031.db2.gz VYCRLLVOIHWJNK-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP 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 936895576 /nfs/dbraw/zinc/89/55/76/936895576.db2.gz QKXALZRLDLTIMG-RFBLXINOSA-N 2 0 291.439 1.339 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CCC)CC1 ZINC001273764170 925385876 /nfs/dbraw/zinc/38/58/76/925385876.db2.gz AJTAEDQIJMUKNB-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001488683885 926647136 /nfs/dbraw/zinc/64/71/36/926647136.db2.gz PBUDIORITCOOPO-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001568458799 1169298582 /nfs/dbraw/zinc/29/85/82/1169298582.db2.gz DEVTZRUCBANLIM-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001490665762 927277638 /nfs/dbraw/zinc/27/76/38/927277638.db2.gz TXNGOPDOKGALGJ-ARFHVFGLSA-N 2 0 291.439 1.224 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001490775322 927337302 /nfs/dbraw/zinc/33/73/02/927337302.db2.gz AWUDIYDAYSKHAG-HUUCEWRRSA-N 2 0 279.428 1.295 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)CC1 ZINC000824083750 931394572 /nfs/dbraw/zinc/39/45/72/931394572.db2.gz BXNPXDCKOLUWFN-LSDHHAIUSA-N 2 0 291.439 1.177 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C[NH+](C)C1CCC1 ZINC001568554474 1169366874 /nfs/dbraw/zinc/36/68/74/1169366874.db2.gz RDCUKBGPFIJVDT-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001273444350 932825873 /nfs/dbraw/zinc/82/58/73/932825873.db2.gz AVUXIVWHMYYKNY-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001276468464 939766630 /nfs/dbraw/zinc/76/66/30/939766630.db2.gz KDDPXXJBJCSCHK-HOCLYGCPSA-N 2 0 293.455 1.729 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001280848930 941861013 /nfs/dbraw/zinc/86/10/13/941861013.db2.gz VSHNDQSZWSMVFH-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001277058925 941888329 /nfs/dbraw/zinc/88/83/29/941888329.db2.gz QHYBEIBBLNMGQQ-YHUYYLMFSA-N 2 0 291.439 1.674 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001277225553 942197197 /nfs/dbraw/zinc/19/71/97/942197197.db2.gz WAKWNZVKLRWOIG-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001281526896 942588451 /nfs/dbraw/zinc/58/84/51/942588451.db2.gz OFVOKDADSYTLSF-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316629138 942975746 /nfs/dbraw/zinc/97/57/46/942975746.db2.gz ZZOADCJODBDDLV-RBSFLKMASA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001284015386 943051194 /nfs/dbraw/zinc/05/11/94/943051194.db2.gz RRYPWSGGDTUZFI-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001284959015 943302237 /nfs/dbraw/zinc/30/22/37/943302237.db2.gz FIRSYGLHGIZAJI-UHFFFAOYSA-N 2 0 265.401 1.263 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001264188792 944096123 /nfs/dbraw/zinc/09/61/23/944096123.db2.gz WNNILAKYMREFSM-HNNXBMFYSA-N 2 0 290.411 1.772 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001264376240 944119552 /nfs/dbraw/zinc/11/95/52/944119552.db2.gz FKDSOQYNJIROBJ-HUUCEWRRSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001264463746 944139821 /nfs/dbraw/zinc/13/98/21/944139821.db2.gz AAANDADRKKDQAY-UONOGXRCSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001265907714 944568846 /nfs/dbraw/zinc/56/88/46/944568846.db2.gz AEUDNUCMXAUOLH-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001265978726 944610441 /nfs/dbraw/zinc/61/04/41/944610441.db2.gz WBSXWCZJVDRIJA-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001266011435 944628232 /nfs/dbraw/zinc/62/82/32/944628232.db2.gz WDVBHJLUHIURJL-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001266040987 944651499 /nfs/dbraw/zinc/65/14/99/944651499.db2.gz PTGXPASQCXABJQ-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001266189639 944743243 /nfs/dbraw/zinc/74/32/43/944743243.db2.gz HSICFUSVWGROCS-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001568865380 1169525167 /nfs/dbraw/zinc/52/51/67/1169525167.db2.gz BYHDAQJGORCMMS-FOSCPCJNSA-N 2 0 279.428 1.699 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001332199149 945908987 /nfs/dbraw/zinc/90/89/87/945908987.db2.gz NLHXUHBPTXVETK-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001479724524 971383531 /nfs/dbraw/zinc/38/35/31/971383531.db2.gz OGAGOPMSCQDWFM-ILXRZTDVSA-N 2 0 281.444 1.728 10 30 CDEERP C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001278450083 948199535 /nfs/dbraw/zinc/19/95/35/948199535.db2.gz BAFXJEYANWIIMD-YCPHGPKFSA-N 2 0 277.412 1.073 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001279001823 948551973 /nfs/dbraw/zinc/55/19/73/948551973.db2.gz FLQMPSHHTPJPNM-LSDHHAIUSA-N 2 0 295.471 1.716 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CN(CC)CCO1)C(C)(C)C ZINC001279033864 948627112 /nfs/dbraw/zinc/62/71/12/948627112.db2.gz GTJPSMNQRHHKLT-KBPBESRZSA-N 2 0 297.443 1.014 10 30 CDEERP CC#CC[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001480411577 971707746 /nfs/dbraw/zinc/70/77/46/971707746.db2.gz QCGLXVHCAQYYKJ-UHFFFAOYSA-N 2 0 277.412 1.123 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001480536326 971773754 /nfs/dbraw/zinc/77/37/54/971773754.db2.gz FMCCMZAIQZVAIM-CYBMUJFWSA-N 2 0 269.433 1.635 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001325434308 953901434 /nfs/dbraw/zinc/90/14/34/953901434.db2.gz AGMGUNAZLNLIHF-LSDHHAIUSA-N 2 0 295.471 1.977 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001325456095 953910474 /nfs/dbraw/zinc/91/04/74/953910474.db2.gz NRIIHHKHMBECIX-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001325469374 953914784 /nfs/dbraw/zinc/91/47/84/953914784.db2.gz XYLAEXFJHXLIDC-OCCSQVGLSA-N 2 0 290.411 1.663 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001325920732 954141703 /nfs/dbraw/zinc/14/17/03/954141703.db2.gz MBNRJSKYCJXDTA-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001569174440 1169702654 /nfs/dbraw/zinc/70/26/54/1169702654.db2.gz KCVHNYWTJJLIAE-CABCVRRESA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001327164502 954744588 /nfs/dbraw/zinc/74/45/88/954744588.db2.gz UPTHYJSLVLOVFQ-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001327283812 954811378 /nfs/dbraw/zinc/81/13/78/954811378.db2.gz DCFZZWDYFXRHFW-HNNXBMFYSA-N 2 0 281.444 1.376 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001491685039 955357209 /nfs/dbraw/zinc/35/72/09/955357209.db2.gz XAZHFYBBPRPWCJ-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001491684529 955358234 /nfs/dbraw/zinc/35/82/34/955358234.db2.gz WIUDJSDHJBNZTB-CYBMUJFWSA-N 2 0 255.406 1.387 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001421762156 955530727 /nfs/dbraw/zinc/53/07/27/955530727.db2.gz BGSUCEJYNBEKBU-LLVKDONJSA-N 2 0 275.824 1.421 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001329575482 955995762 /nfs/dbraw/zinc/99/57/62/955995762.db2.gz TYIHLOIFQKQHHU-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001493997696 972157726 /nfs/dbraw/zinc/15/77/26/972157726.db2.gz OLDFUOHUUDRWKT-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317384281 956241533 /nfs/dbraw/zinc/24/15/33/956241533.db2.gz VEJKUAGOURHAJU-CABCVRRESA-N 2 0 281.444 1.826 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001330052808 956252428 /nfs/dbraw/zinc/25/24/28/956252428.db2.gz CZGPEKBCBOKTEG-HIFRSBDPSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001480683572 956535869 /nfs/dbraw/zinc/53/58/69/956535869.db2.gz OQRQINQGGCBXQE-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001331648801 957186676 /nfs/dbraw/zinc/18/66/76/957186676.db2.gz QPDWHHTZHHQZOW-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001317284139 957402621 /nfs/dbraw/zinc/40/26/21/957402621.db2.gz RJNLTBCMPQMAQJ-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001317559345 957553571 /nfs/dbraw/zinc/55/35/71/957553571.db2.gz WQXWBSBGPWVESA-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317790226 957666021 /nfs/dbraw/zinc/66/60/21/957666021.db2.gz UDRCTNOANJAJLI-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@H+]1CC[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001317802056 957668226 /nfs/dbraw/zinc/66/82/26/957668226.db2.gz HIODVZDGWFRGBB-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317796595 957669993 /nfs/dbraw/zinc/66/99/93/957669993.db2.gz BGESHSLDCBSSDG-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001494842460 972321654 /nfs/dbraw/zinc/32/16/54/972321654.db2.gz QWSZHQSXRSNDRM-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CC(C)C)CC1 ZINC001318608897 958195229 /nfs/dbraw/zinc/19/52/29/958195229.db2.gz ZLHXCFXQUQUVCB-INIZCTEOSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001319231716 958447219 /nfs/dbraw/zinc/44/72/19/958447219.db2.gz WZSCZAUITWSZTR-CABCVRRESA-N 2 0 281.444 1.636 10 30 CDEERP CC#CC[NH+]1CC2(C1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001319408413 958538570 /nfs/dbraw/zinc/53/85/70/958538570.db2.gz WEKATLNBDZETMH-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001319590311 958644679 /nfs/dbraw/zinc/64/46/79/958644679.db2.gz QRNSSLZHTMJQRP-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001319688191 958689546 /nfs/dbraw/zinc/68/95/46/958689546.db2.gz AIGFSFUIERRXLU-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001319698169 958693204 /nfs/dbraw/zinc/69/32/04/958693204.db2.gz XCBBCBIPYHFMAM-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001319867282 958763366 /nfs/dbraw/zinc/76/33/66/958763366.db2.gz BRIUXWBWKFEVRR-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001320147125 958968634 /nfs/dbraw/zinc/96/86/34/958968634.db2.gz NSJRJLVEDRYWRJ-ZFWWWQNUSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001495160206 972431500 /nfs/dbraw/zinc/43/15/00/972431500.db2.gz DTJAJYNMQNBSCK-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001322792275 960323668 /nfs/dbraw/zinc/32/36/68/960323668.db2.gz JMIXQWPKQAAFCM-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001495474737 972514433 /nfs/dbraw/zinc/51/44/33/972514433.db2.gz PUOALPQATMIEFI-SHTZXODSSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001323659905 960895073 /nfs/dbraw/zinc/89/50/73/960895073.db2.gz HBOMGZJMOOJRPM-MQVJKMGUSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001324264144 961270572 /nfs/dbraw/zinc/27/05/72/961270572.db2.gz RERBTMFHCFGGDC-UONOGXRCSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(Cl)CN(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420569328 963070094 /nfs/dbraw/zinc/07/00/94/963070094.db2.gz MXGYTVHEPSBYOK-JHJVBQTASA-N 2 0 287.835 1.516 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001340982978 963220475 /nfs/dbraw/zinc/22/04/75/963220475.db2.gz IXTNAUQHSVHHKH-HOCLYGCPSA-N 2 0 279.428 1.662 10 30 CDEERP C=CC[C@]1(C(=O)NCC[C@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC001343763392 964132759 /nfs/dbraw/zinc/13/27/59/964132759.db2.gz DUXXWSSDHOQAAW-GOEBONIOSA-N 2 0 279.428 1.581 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001515597361 969903644 /nfs/dbraw/zinc/90/36/44/969903644.db2.gz DFTORSIQBNBQHZ-ZOBORPQBSA-N 2 0 265.401 1.126 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001495667197 972588304 /nfs/dbraw/zinc/58/83/04/972588304.db2.gz PIAQWECTYXQAMY-UKRRQHHQSA-N 2 0 279.428 1.246 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001371832343 972652686 /nfs/dbraw/zinc/65/26/86/972652686.db2.gz KCOOECRCBBAIHQ-YPMHNXCESA-N 2 0 287.835 1.565 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001495914125 972701644 /nfs/dbraw/zinc/70/16/44/972701644.db2.gz CXYPGZMFKPIUFE-OAHLLOKOSA-N 2 0 291.439 1.533 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496297921 972879272 /nfs/dbraw/zinc/87/92/72/972879272.db2.gz XXTZLLJKGQNPFZ-KGLIPLIRSA-N 2 0 267.417 1.245 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001496645423 973005340 /nfs/dbraw/zinc/00/53/40/973005340.db2.gz UGEKCRWMNZEBOM-ZIAGYGMSSA-N 2 0 267.417 1.245 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497586693 973421266 /nfs/dbraw/zinc/42/12/66/973421266.db2.gz XTSQAJWRIKUGKX-QAMKJQMISA-N 2 0 265.401 1.165 10 30 CDEERP C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)CC[NH+](C)C ZINC001497898556 973569126 /nfs/dbraw/zinc/56/91/26/973569126.db2.gz BLMYNLUYRQCJJS-LLVKDONJSA-N 2 0 294.424 1.166 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001498118550 973693167 /nfs/dbraw/zinc/69/31/67/973693167.db2.gz RMSNPFPMQBUDMB-BBRMVZONSA-N 2 0 297.418 1.317 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001498526232 973967823 /nfs/dbraw/zinc/96/78/23/973967823.db2.gz MURJOVVAEWISTK-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH+]1CC(N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001499804554 974307198 /nfs/dbraw/zinc/30/71/98/974307198.db2.gz HTQYDLGHSBQPSD-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001499922457 974335589 /nfs/dbraw/zinc/33/55/89/974335589.db2.gz DDGSHDGXWSLIIL-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001500354116 974426342 /nfs/dbraw/zinc/42/63/42/974426342.db2.gz LAINYWBZQIVPIH-QGZVFWFLSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500402777 974431915 /nfs/dbraw/zinc/43/19/15/974431915.db2.gz ZPUCBQCZXMPWNE-RDJZCZTQSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001501070910 974526438 /nfs/dbraw/zinc/52/64/38/974526438.db2.gz JUXONCPNYCTMFR-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001502135825 974704407 /nfs/dbraw/zinc/70/44/07/974704407.db2.gz RWZDZDOBTXDWMQ-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001506549760 975177904 /nfs/dbraw/zinc/17/79/04/975177904.db2.gz UAFOCXSDXFOLTE-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001507327258 975417384 /nfs/dbraw/zinc/41/73/84/975417384.db2.gz IRFKUMRYLDORFH-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001391324179 976817359 /nfs/dbraw/zinc/81/73/59/976817359.db2.gz DRBQKOUAGYQWJD-UONOGXRCSA-N 2 0 299.846 1.519 10 30 CDEERP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001569920547 1170038065 /nfs/dbraw/zinc/03/80/65/1170038065.db2.gz SXTBIYLDCAJQQR-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001570009938 1170057836 /nfs/dbraw/zinc/05/78/36/1170057836.db2.gz QCNPTLZSVGUOFO-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001570736374 1170261880 /nfs/dbraw/zinc/26/18/80/1170261880.db2.gz WNWXXPIYUBPDNM-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001571322343 1170365382 /nfs/dbraw/zinc/36/53/82/1170365382.db2.gz ODLXXNIKEWTIKB-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001571403798 1170414985 /nfs/dbraw/zinc/41/49/85/1170414985.db2.gz YNDKREBGFUPSJH-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP CCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439047 342906544 /nfs/dbraw/zinc/90/65/44/342906544.db2.gz ZKAQMFHJJOCBDD-ZDUSSCGKSA-N 2 0 268.405 1.198 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000594444544 342908434 /nfs/dbraw/zinc/90/84/34/342908434.db2.gz SQBNDTJHSUQITA-HNNXBMFYSA-N 2 0 294.443 1.765 10 30 CDEERP N#CC1(C[C@@H](O)C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000600718570 342244470 /nfs/dbraw/zinc/24/44/70/342244470.db2.gz YGTXEMKIMBYZMR-OAHLLOKOSA-N 2 0 277.412 1.505 10 30 CDEERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600722668 342244793 /nfs/dbraw/zinc/24/47/93/342244793.db2.gz KKMVKSSUZQUUDN-HNNXBMFYSA-N 2 0 279.428 1.753 10 30 CDEERP CSC1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC[NH+](C)CC1 ZINC000600741904 342246838 /nfs/dbraw/zinc/24/68/38/342246838.db2.gz RQHUHOOJKPKALI-ZDUSSCGKSA-N 2 0 297.468 1.458 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000594424453 342904030 /nfs/dbraw/zinc/90/40/30/342904030.db2.gz DTMUXSYKNFDDMD-HNNXBMFYSA-N 2 0 294.443 1.826 10 30 CDEERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594425060 342904359 /nfs/dbraw/zinc/90/43/59/342904359.db2.gz JMKUMOHMRKAISE-QWHCGFSZSA-N 2 0 268.405 1.229 10 30 CDEERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000600712285 349877024 /nfs/dbraw/zinc/87/70/24/349877024.db2.gz WDSYVDVCAXDVFO-NSHDSACASA-N 2 0 265.332 1.584 10 30 CDEERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)CC1(C)C ZINC000598961865 343929991 /nfs/dbraw/zinc/92/99/91/343929991.db2.gz ZUEGXPFOEBOTDL-AWEZNQCLSA-N 2 0 264.417 1.437 10 30 CDEERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CC2)CCO1 ZINC000599477885 344069090 /nfs/dbraw/zinc/06/90/90/344069090.db2.gz KOCCNLHHQPBOHC-LSDHHAIUSA-N 2 0 295.427 1.084 10 30 CDEERP C#CCC1([NH2+]CCCN2CC[NH+](C(C)C)CC2)CCC1 ZINC000933297114 684559201 /nfs/dbraw/zinc/55/92/01/684559201.db2.gz XKWVPZLWOOLUDK-UHFFFAOYSA-N 2 0 277.456 1.938 10 30 CDEERP N#C[C@@H]1CCC[C@@H]1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601964630 344297753 /nfs/dbraw/zinc/29/77/53/344297753.db2.gz JQJXBNNGNQLUOO-OKZBNKHCSA-N 2 0 299.418 1.905 10 30 CDEERP CC[NH+]=C(NCCC[NH+]1CCCC1)NCc1ccco1 ZINC000075583011 346759219 /nfs/dbraw/zinc/75/92/19/346759219.db2.gz GTWMQWSDIGTHQM-UHFFFAOYSA-N 2 0 278.400 1.821 10 30 CDEERP COc1ccc(C[NH2+]CCCC[NH+](C)C)cc1C#N ZINC000087824108 179493960 /nfs/dbraw/zinc/49/39/60/179493960.db2.gz DXHWEGSBGYEEDM-UHFFFAOYSA-N 2 0 261.369 1.998 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001660447671 1172217058 /nfs/dbraw/zinc/21/70/58/1172217058.db2.gz RXHNJYJZNOKEIT-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP CCCCN(C)C(NC[C@@H]1CCC[N@@H+]1CCOC)=[NH+]C ZINC000073112785 360272198 /nfs/dbraw/zinc/27/21/98/360272198.db2.gz SWTSUGOXDYQMSH-AWEZNQCLSA-N 2 0 284.448 1.405 10 30 CDEERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000568632231 371228661 /nfs/dbraw/zinc/22/86/61/371228661.db2.gz MUXMRJRHODLRRJ-RCBQFDQVSA-N 2 0 273.380 1.595 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001662791076 1172596015 /nfs/dbraw/zinc/59/60/15/1172596015.db2.gz NNECISDLLZAYOB-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001662872741 1172606148 /nfs/dbraw/zinc/60/61/48/1172606148.db2.gz RXPJYBHVMUOREP-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H](C[NH3+])CCCC)CCC[NH2+]1 ZINC000662431925 413013159 /nfs/dbraw/zinc/01/31/59/413013159.db2.gz NNEFENVMGAXTLU-OCCSQVGLSA-N 2 0 253.390 1.318 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001663363389 1172679882 /nfs/dbraw/zinc/67/98/82/1172679882.db2.gz IFANUZGFTYMWRF-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP CC1(C)OCC[C@H]1[NH2+]CC#CC[NH2+][C@@H]1CCOC1(C)C ZINC000451241015 391646167 /nfs/dbraw/zinc/64/61/67/391646167.db2.gz JJZQBKNZIPFAKX-ZIAGYGMSSA-N 2 0 280.412 1.304 10 30 CDEERP C=CC[C@]1(C(=O)NCC2([NH+](C)C)CCCC2)CCC[NH2+]1 ZINC000662661791 413267204 /nfs/dbraw/zinc/26/72/04/413267204.db2.gz INJSDDVHSHRNEM-MRXNPFEDSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662299617 414623888 /nfs/dbraw/zinc/62/38/88/414623888.db2.gz SHZAKRCOTBITGH-ZIAGYGMSSA-N 2 0 250.386 1.796 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)Cn1cncc1C ZINC001666585397 1173156424 /nfs/dbraw/zinc/15/64/24/1173156424.db2.gz XWFJUNXHDZOCHS-LBPRGKRZSA-N 2 0 264.373 1.110 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]21 ZINC001667701759 1173311713 /nfs/dbraw/zinc/31/17/13/1173311713.db2.gz PNIHBZAJFHVYKM-JKSUJKDBSA-N 2 0 293.455 1.826 10 30 CDEERP C#CC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862823 275379794 /nfs/dbraw/zinc/37/97/94/275379794.db2.gz DVMMSEKXJDHDOW-GOSISDBHSA-N 2 0 286.419 1.997 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001673151527 1173830686 /nfs/dbraw/zinc/83/06/86/1173830686.db2.gz BWFZYRLDVIZXEF-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001267142763 1159136295 /nfs/dbraw/zinc/13/62/95/1159136295.db2.gz VYMRNXUBIOQDSM-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C[NH+]=C(NCC[NH+]1CCCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000179131570 329205568 /nfs/dbraw/zinc/20/55/68/329205568.db2.gz ILFZIICUFIFKDS-GASCZTMLSA-N 2 0 278.444 1.780 10 30 CDEERP C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000262451080 330014041 /nfs/dbraw/zinc/01/40/41/330014041.db2.gz JWLIKZNGKPGPLZ-UONOGXRCSA-N 2 0 282.432 1.142 10 30 CDEERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262472911 330015824 /nfs/dbraw/zinc/01/58/24/330015824.db2.gz PHVQVHHDEOOEOK-CABCVRRESA-N 2 0 296.459 1.390 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262674212 330026180 /nfs/dbraw/zinc/02/61/80/330026180.db2.gz QKYXNXDAEZWEEB-BMFZPTHFSA-N 2 0 291.439 1.674 10 30 CDEERP C[NH+]=C(NC1CCC1)NC1CC[NH+](C2CC2)CC1 ZINC000262808635 330032900 /nfs/dbraw/zinc/03/29/00/330032900.db2.gz UHXNCIMAIBBUFY-UHFFFAOYSA-N 2 0 250.390 1.331 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699403421 1176368641 /nfs/dbraw/zinc/36/86/41/1176368641.db2.gz XIEHXLNMZLGGEJ-KBPBESRZSA-N 2 0 267.417 1.530 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001732631220 1160159885 /nfs/dbraw/zinc/15/98/85/1160159885.db2.gz RCEDBXMIMULQKI-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001483512104 1160932701 /nfs/dbraw/zinc/93/27/01/1160932701.db2.gz OYQDMICSVDVQDU-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001483580994 1160949966 /nfs/dbraw/zinc/94/99/66/1160949966.db2.gz WQHSMEIUXWIFPT-HUUCEWRRSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001670903781 1161347314 /nfs/dbraw/zinc/34/73/14/1161347314.db2.gz RUEXKYLPHGCSNO-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP N#CCOc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925620529 617566733 /nfs/dbraw/zinc/56/67/33/617566733.db2.gz HHDCPDWHVGGGON-LSDHHAIUSA-N 2 0 271.364 1.948 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000924380957 617648222 /nfs/dbraw/zinc/64/82/22/617648222.db2.gz PPOMBFLHBUOUKF-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850882 617886908 /nfs/dbraw/zinc/88/69/08/617886908.db2.gz COFPTRLILHAPRL-IHRRRGAJSA-N 2 0 280.412 1.862 10 30 CDEERP CC(C)CCNC(=[NH2+])NCC[N@@H+]1CCCC[C@H]1C ZINC000104168112 617985816 /nfs/dbraw/zinc/98/58/16/617985816.db2.gz RKWVGNABJJRMFV-CYBMUJFWSA-N 2 0 254.422 1.811 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000900908749 623642033 /nfs/dbraw/zinc/64/20/33/623642033.db2.gz GLRSSNDRUGBHFG-CVEARBPZSA-N 2 0 293.455 1.968 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000917136340 632159818 /nfs/dbraw/zinc/15/98/18/632159818.db2.gz AJTMCWSCRQZFAI-TZMCWYRMSA-N 2 0 280.416 1.029 10 30 CDEERP c1cn(CCCNN=C2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000848416498 684756258 /nfs/dbraw/zinc/75/62/58/684756258.db2.gz NFXDWCUXTQTNNP-OAHLLOKOSA-N 2 0 275.400 1.867 10 30 CDEERP C[NH+](C)C1CCN(CCNC(=[NH2+])NC2CCCCC2)CC1 ZINC000304699766 684855307 /nfs/dbraw/zinc/85/53/07/684855307.db2.gz JEYVNOJONYYXQI-UHFFFAOYSA-N 2 0 295.475 1.249 10 30 CDEERP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000923413756 684994717 /nfs/dbraw/zinc/99/47/17/684994717.db2.gz GUPVYRTVWJWCEB-BRWVUGGUSA-N 2 0 285.391 1.666 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000876729218 685837029 /nfs/dbraw/zinc/83/70/29/685837029.db2.gz HTNAXFXTPHUWHW-TUAOUCFPSA-N 2 0 271.792 1.199 10 30 CDEERP C[C@@H]([NH2+]CC#CC[NH2+][C@@H](C)c1cn[nH]c1)c1cn[nH]c1 ZINC000792878655 685849212 /nfs/dbraw/zinc/84/92/12/685849212.db2.gz YDSMOUQVWVDXSL-TXEJJXNPSA-N 2 0 272.356 1.138 10 30 CDEERP C[NH+]=C(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1C[C@H]1C ZINC000083898501 685977651 /nfs/dbraw/zinc/97/76/51/685977651.db2.gz CRAXMGRVIHTJNO-YIYPIFLZSA-N 2 0 296.459 1.448 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000876737393 685987218 /nfs/dbraw/zinc/98/72/18/685987218.db2.gz SPTRZBKIDWGGHN-CQSZACIVSA-N 2 0 295.814 1.705 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000876523673 686813306 /nfs/dbraw/zinc/81/33/06/686813306.db2.gz AYWMHUQNEWUKJN-RYUDHWBXSA-N 2 0 267.760 1.273 10 30 CDEERP CCC[NH+]1CCC(CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852861888 687076415 /nfs/dbraw/zinc/07/64/15/687076415.db2.gz LXJWIOINBPBZKD-UHFFFAOYSA-N 2 0 291.439 1.228 10 30 CDEERP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCC(C)CC1 ZINC000261699440 687162334 /nfs/dbraw/zinc/16/23/34/687162334.db2.gz CHKNUOQBRJVRBD-KBPBESRZSA-N 2 0 282.432 1.190 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000876507975 687318217 /nfs/dbraw/zinc/31/82/17/687318217.db2.gz QYJVDRQNEJBMPX-LBPRGKRZSA-N 2 0 271.792 1.199 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000876541904 687960998 /nfs/dbraw/zinc/96/09/98/687960998.db2.gz LSPUNASTSCQGDA-GHMZBOCLSA-N 2 0 261.797 1.288 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000876941928 688147765 /nfs/dbraw/zinc/14/77/65/688147765.db2.gz NERZZMBCRRNTMJ-QWKFWESOSA-N 2 0 271.792 1.186 10 30 CDEERP C=CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001691208691 1158956031 /nfs/dbraw/zinc/95/60/31/1158956031.db2.gz GFPFWMHTYBYRAR-OAHLLOKOSA-N 2 0 279.428 1.626 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001691968114 1158506970 /nfs/dbraw/zinc/50/69/70/1158506970.db2.gz BPYOTVTZJJGSSD-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC([NH+](CC)CC)CC1 ZINC001628364604 1166064724 /nfs/dbraw/zinc/06/47/24/1166064724.db2.gz ZDFAWKQDLKDZMJ-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001630911659 1166242590 /nfs/dbraw/zinc/24/25/90/1166242590.db2.gz QJDPHUAXEGREDC-ZBFHGGJFSA-N 2 0 291.439 1.580 10 30 CDEERP C=CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001566587755 1168347443 /nfs/dbraw/zinc/34/74/43/1168347443.db2.gz QSRQADMBELOHIG-UKRRQHHQSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001567735265 1168941615 /nfs/dbraw/zinc/94/16/15/1168941615.db2.gz BPHBPMNXSXJPMH-CQSZACIVSA-N 2 0 279.428 1.295 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001567844667 1169011462 /nfs/dbraw/zinc/01/14/62/1169011462.db2.gz XXTHEHJVSPHELP-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001569309216 1169758834 /nfs/dbraw/zinc/75/88/34/1169758834.db2.gz CDUWPLHPLAASJB-MRXNPFEDSA-N 2 0 298.390 1.927 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001570123086 1170087398 /nfs/dbraw/zinc/08/73/98/1170087398.db2.gz JZNCBVCLGPHUFQ-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001571197781 1170344333 /nfs/dbraw/zinc/34/43/33/1170344333.db2.gz LIQUGFULTFHYFW-WKILWMFISA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CC[N@@H+](C)CC ZINC001571412041 1170418129 /nfs/dbraw/zinc/41/81/29/1170418129.db2.gz RBOZHICFPKNZFQ-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C=CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001663761283 1172757518 /nfs/dbraw/zinc/75/75/18/1172757518.db2.gz OTXHSRBOOBYURG-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001666244823 1173120492 /nfs/dbraw/zinc/12/04/92/1173120492.db2.gz JLIYLAHESBGFGD-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001666933588 1173209611 /nfs/dbraw/zinc/20/96/11/1173209611.db2.gz ULQLPYTVDUKOJN-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001667085544 1173232416 /nfs/dbraw/zinc/23/24/16/1173232416.db2.gz AOCHOPPBYGJCID-RBSFLKMASA-N 2 0 279.428 1.080 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001669411769 1173547596 /nfs/dbraw/zinc/54/75/96/1173547596.db2.gz VNUXRXLKHOINEO-CABCVRRESA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001672329338 1173766363 /nfs/dbraw/zinc/76/63/63/1173766363.db2.gz XAWQUBRMPZWGQB-GJZGRUSLSA-N 2 0 291.439 1.342 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001675349525 1174105516 /nfs/dbraw/zinc/10/55/16/1174105516.db2.gz UUURSMLZRBAKOO-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001675545700 1174126262 /nfs/dbraw/zinc/12/62/62/1174126262.db2.gz QTOAECMTZLCOFU-YHUYYLMFSA-N 2 0 291.439 1.198 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC001598393360 1174314134 /nfs/dbraw/zinc/31/41/34/1174314134.db2.gz HVXMAESNDRSQBY-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC#CC[NH+](C)C)C[C@H]1C ZINC001684869867 1174663097 /nfs/dbraw/zinc/66/30/97/1174663097.db2.gz QNOVIXYAHRUVAF-HUUCEWRRSA-N 2 0 294.443 1.066 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001690501587 1175482419 /nfs/dbraw/zinc/48/24/19/1175482419.db2.gz NAJUEPKGNJDTEZ-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001690849506 1175591031 /nfs/dbraw/zinc/59/10/31/1175591031.db2.gz DLMIHKIKZBDLLI-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001691989250 1175663467 /nfs/dbraw/zinc/66/34/67/1175663467.db2.gz CHTLTPLSNZKPSW-LSDHHAIUSA-N 2 0 279.428 1.130 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001692060798 1175670826 /nfs/dbraw/zinc/67/08/26/1175670826.db2.gz BIPUIRPSNLFOMK-PMPSAXMXSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001692369103 1175752779 /nfs/dbraw/zinc/75/27/79/1175752779.db2.gz TWDPEFQROZSMCJ-YHUYYLMFSA-N 2 0 293.455 1.966 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001698861855 1175968702 /nfs/dbraw/zinc/96/87/02/1175968702.db2.gz SUJUAJQEMIJSAC-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001698880673 1175976221 /nfs/dbraw/zinc/97/62/21/1175976221.db2.gz VXIHGICXPLIIDJ-UONOGXRCSA-N 2 0 267.417 1.080 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001698977675 1176003264 /nfs/dbraw/zinc/00/32/64/1176003264.db2.gz SEUCEEHJGWTSLR-AWEZNQCLSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699003529 1176035958 /nfs/dbraw/zinc/03/59/58/1176035958.db2.gz ZOPYGNPQRQFLRA-OAHLLOKOSA-N 2 0 279.428 1.295 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001699592689 1176490911 /nfs/dbraw/zinc/49/09/11/1176490911.db2.gz MGPOZKJRYRTYJE-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)CCC[NH+]1CCCCC1)C1CC1 ZINC001699603746 1176495836 /nfs/dbraw/zinc/49/58/36/1176495836.db2.gz SQBGJAMHCYDTCR-INIZCTEOSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001699695749 1176569121 /nfs/dbraw/zinc/56/91/21/1176569121.db2.gz SVKKLRIRMGWIEV-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CCC1 ZINC001700131860 1176764053 /nfs/dbraw/zinc/76/40/53/1176764053.db2.gz IPGQIZWEXALTAJ-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001700479162 1176969540 /nfs/dbraw/zinc/96/95/40/1176969540.db2.gz UYCOADSVROASKS-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001700486175 1176974295 /nfs/dbraw/zinc/97/42/95/1176974295.db2.gz CQDREKVSJUTQPL-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001700680979 1177072053 /nfs/dbraw/zinc/07/20/53/1177072053.db2.gz LTDXHGDPBGYBCK-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001700887624 1177180254 /nfs/dbraw/zinc/18/02/54/1177180254.db2.gz JXDAGXNSJNGJDA-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001713310459 1178489037 /nfs/dbraw/zinc/48/90/37/1178489037.db2.gz VAWXONWIJMJZDS-UONOGXRCSA-N 2 0 267.417 1.530 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713463324 1178580755 /nfs/dbraw/zinc/58/07/55/1178580755.db2.gz YIQYZLHZPLQKCB-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001713485034 1178601538 /nfs/dbraw/zinc/60/15/38/1178601538.db2.gz DZXPOKRKXZJFHE-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[N@H+](CCC)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001713544165 1178636134 /nfs/dbraw/zinc/63/61/34/1178636134.db2.gz HZALDNXBXWUMCD-OAHLLOKOSA-N 2 0 297.443 1.111 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001713601513 1178675687 /nfs/dbraw/zinc/67/56/87/1178675687.db2.gz ZXPOHOXFQUWHQY-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001713666696 1178702356 /nfs/dbraw/zinc/70/23/56/1178702356.db2.gz ZHMMOBBAUHJGIB-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001713854941 1178794409 /nfs/dbraw/zinc/79/44/09/1178794409.db2.gz IOVSYNHBUHPACP-OAHLLOKOSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001714022478 1178932696 /nfs/dbraw/zinc/93/26/96/1178932696.db2.gz TVAQTOLDYSBIIQ-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001714054306 1178949973 /nfs/dbraw/zinc/94/99/73/1178949973.db2.gz VAPJXBRQIBRGAP-CQSZACIVSA-N 2 0 267.417 1.435 10 30 CDEERP C=CC[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001714114905 1178979456 /nfs/dbraw/zinc/97/94/56/1178979456.db2.gz KAQZEOQVHONHIU-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1 ZINC001714304417 1179076476 /nfs/dbraw/zinc/07/64/76/1179076476.db2.gz GFKCHIIFNZDVNK-MRXNPFEDSA-N 2 0 299.418 1.228 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001714412337 1179129285 /nfs/dbraw/zinc/12/92/85/1179129285.db2.gz MIEMGRLOGOTJPR-HZPDHXFCSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001714829601 1179414682 /nfs/dbraw/zinc/41/46/82/1179414682.db2.gz KRYOLRYTFMQLKZ-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001714906511 1179447389 /nfs/dbraw/zinc/44/73/89/1179447389.db2.gz ROEGKHPWPZALSH-HOTGVXAUSA-N 2 0 293.455 1.376 10 30 CDEERP C=CC[NH+]1CCC2(C1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001715217919 1179580260 /nfs/dbraw/zinc/58/02/60/1179580260.db2.gz RUEPXHHZNXNNDY-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001715493154 1179681555 /nfs/dbraw/zinc/68/15/55/1179681555.db2.gz RNGLJPHQJBENFZ-AWEZNQCLSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001715491980 1179681994 /nfs/dbraw/zinc/68/19/94/1179681994.db2.gz PDIQRSXICAYMBZ-CQSZACIVSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)C[N@H+](C)CC(C)(C)C ZINC001715758119 1179793741 /nfs/dbraw/zinc/79/37/41/1179793741.db2.gz SUWDNTSSNMWNJF-UHFFFAOYSA-N 2 0 269.433 1.588 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001717198714 1180570799 /nfs/dbraw/zinc/57/07/99/1180570799.db2.gz WUVNFONGGRZDME-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001717749630 1180826856 /nfs/dbraw/zinc/82/68/56/1180826856.db2.gz HANWAOWSXNIJIY-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001717803494 1180863249 /nfs/dbraw/zinc/86/32/49/1180863249.db2.gz YPTYTMYOJKFIDS-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCc2nccn2C)C1 ZINC001717877444 1180908575 /nfs/dbraw/zinc/90/85/75/1180908575.db2.gz PFNTUOAAJONHJS-KGLIPLIRSA-N 2 0 290.411 1.413 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001717883859 1180912189 /nfs/dbraw/zinc/91/21/89/1180912189.db2.gz FBSLQUKAJNBGET-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001723859465 1181612987 /nfs/dbraw/zinc/61/29/87/1181612987.db2.gz JXPOBLAVRPRJRE-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001724944998 1181802887 /nfs/dbraw/zinc/80/28/87/1181802887.db2.gz JREBHZNSSUTTHQ-HOTGVXAUSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001725066126 1181843095 /nfs/dbraw/zinc/84/30/95/1181843095.db2.gz HLEPRIOQLUVXND-GPANFISMSA-N 2 0 291.439 1.224 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001725194464 1181918008 /nfs/dbraw/zinc/91/80/08/1181918008.db2.gz JUKJSPMWFDZKFA-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001725265128 1181944259 /nfs/dbraw/zinc/94/42/59/1181944259.db2.gz CSQYMKSEBDTWAH-CQSZACIVSA-N 2 0 291.439 1.485 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001725602733 1182070927 /nfs/dbraw/zinc/07/09/27/1182070927.db2.gz FSDKVQXWGVVMKX-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001731616623 1182481572 /nfs/dbraw/zinc/48/15/72/1182481572.db2.gz GVGLRIOQTGGJJF-ZDUSSCGKSA-N 2 0 267.417 1.082 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001731635295 1182493851 /nfs/dbraw/zinc/49/38/51/1182493851.db2.gz UTZVQVPKQJHVTG-ZIAGYGMSSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001731764585 1182556819 /nfs/dbraw/zinc/55/68/19/1182556819.db2.gz TZFVNXGBXNPYBX-CYBMUJFWSA-N 2 0 253.390 1.143 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001731923280 1182679470 /nfs/dbraw/zinc/67/94/70/1182679470.db2.gz WKBOSWPCDZEFNK-UHFFFAOYSA-N 2 0 299.846 1.663 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001732071977 1182751368 /nfs/dbraw/zinc/75/13/68/1182751368.db2.gz GOLRGBKQFSTRNP-OWCLPIDISA-N 2 0 291.439 1.130 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001733660574 1183491947 /nfs/dbraw/zinc/49/19/47/1183491947.db2.gz DFNDBBQWMVHYMD-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001733722850 1183508642 /nfs/dbraw/zinc/50/86/42/1183508642.db2.gz KMANOIAUVUAVHM-UHFFFAOYSA-N 2 0 253.390 1.143 10 30 CDEERP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001734058334 1183640060 /nfs/dbraw/zinc/64/00/60/1183640060.db2.gz NFUPPRVCPCDHSI-HNNXBMFYSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001734328708 1183734585 /nfs/dbraw/zinc/73/45/85/1183734585.db2.gz OQGXSVYOICNMPC-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)CC)C1 ZINC001691866707 1164289350 /nfs/dbraw/zinc/28/93/50/1164289350.db2.gz FCKACYILBCAOEV-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001671089956 1164415257 /nfs/dbraw/zinc/41/52/57/1164415257.db2.gz DYWQDEZPYDCXJY-QGZVFWFLSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001490805025 1164866232 /nfs/dbraw/zinc/86/62/32/1164866232.db2.gz GUIYOKJNHOWLQX-IYBDPMFKSA-N 2 0 293.455 1.968 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001568685411 1167539823 /nfs/dbraw/zinc/53/98/23/1167539823.db2.gz WZMFHTUTVKHOBV-LSDHHAIUSA-N 2 0 279.428 1.367 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001506892615 1167777360 /nfs/dbraw/zinc/77/73/60/1167777360.db2.gz WKOQFIYROYUFAR-JYJNAYRXSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CCN(C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001567307089 1168051149 /nfs/dbraw/zinc/05/11/49/1168051149.db2.gz NCPJCGYVOCZWNW-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001567188294 1168610360 /nfs/dbraw/zinc/61/03/60/1168610360.db2.gz KQCRQNODNSNECG-HUUCEWRRSA-N 2 0 277.412 1.027 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001266325449 894396793 /nfs/dbraw/zinc/39/67/93/894396793.db2.gz NNAPQXYDXVCTGP-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001266362615 894569846 /nfs/dbraw/zinc/56/98/46/894569846.db2.gz NMQSQPWSRIDTOK-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266439688 894907894 /nfs/dbraw/zinc/90/78/94/894907894.db2.gz UOAUFWLUAZHHMA-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001266702090 895862857 /nfs/dbraw/zinc/86/28/57/895862857.db2.gz OUUJJHTYQSBZHM-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001266880819 896268158 /nfs/dbraw/zinc/26/81/58/896268158.db2.gz OWZPQKRFNURMMJ-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267048527 896631761 /nfs/dbraw/zinc/63/17/61/896631761.db2.gz XUUTZFLTYBEMMR-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001267283126 897462267 /nfs/dbraw/zinc/46/22/67/897462267.db2.gz ILMUBGBIPSCALB-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001567633687 1168896637 /nfs/dbraw/zinc/89/66/37/1168896637.db2.gz MWTSGPDETOEABG-GOEBONIOSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](CC)[NH+](C)C ZINC001268112517 901319595 /nfs/dbraw/zinc/31/95/95/901319595.db2.gz VXIHGICXPLIIDJ-KBPBESRZSA-N 2 0 267.417 1.080 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)C ZINC001268211820 901581536 /nfs/dbraw/zinc/58/15/36/901581536.db2.gz HZACXBGWJRAWLJ-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[N@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001567752415 1168951278 /nfs/dbraw/zinc/95/12/78/1168951278.db2.gz RMAWATHXMDCOQD-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001268229000 901611355 /nfs/dbraw/zinc/61/13/55/901611355.db2.gz NFSRGGZZCAJDBS-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCCC)C1 ZINC001481689849 901799630 /nfs/dbraw/zinc/79/96/30/901799630.db2.gz HFCRXAITDUVGGO-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001481749270 902011309 /nfs/dbraw/zinc/01/13/09/902011309.db2.gz PNFQZRLUICYTFT-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)c1ccc2c[nH+]cn2c1C ZINC001268461149 902181563 /nfs/dbraw/zinc/18/15/63/902181563.db2.gz CSFFTPPPBYGDOB-UHFFFAOYSA-N 2 0 298.390 1.718 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)c1sccc1C[NH+](C)C ZINC001268545717 902541413 /nfs/dbraw/zinc/54/14/13/902541413.db2.gz SLZITOPCQUPYCY-WAYWQWQTSA-N 2 0 291.420 1.319 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001269165620 903496258 /nfs/dbraw/zinc/49/62/58/903496258.db2.gz GXMREDFKGJIDFJ-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001269332019 903702449 /nfs/dbraw/zinc/70/24/49/903702449.db2.gz MNOBWDDGBCDFQN-LSDHHAIUSA-N 2 0 291.439 1.627 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001269961999 904236154 /nfs/dbraw/zinc/23/61/54/904236154.db2.gz WALAZMKHKBMHMB-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001270083508 904335725 /nfs/dbraw/zinc/33/57/25/904335725.db2.gz OWJCIIRQUKJPMD-AWEZNQCLSA-N 2 0 277.412 1.381 10 30 CDEERP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001270696895 904954672 /nfs/dbraw/zinc/95/46/72/904954672.db2.gz CWHROHRJLHLABE-NVXWUHKLSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001271720701 906632771 /nfs/dbraw/zinc/63/27/71/906632771.db2.gz FLHIYKJPGUYSOW-CABCVRRESA-N 2 0 279.428 1.034 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483012355 908689082 /nfs/dbraw/zinc/68/90/82/908689082.db2.gz UAFLILOQSUPQHG-NHZBNJEXSA-N 2 0 277.412 1.166 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001567982354 1169107764 /nfs/dbraw/zinc/10/77/64/1169107764.db2.gz JYGNZMPIOJYQLE-AWEZNQCLSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001483595549 911304544 /nfs/dbraw/zinc/30/45/44/911304544.db2.gz AXKGNUKLXQRBQA-INIZCTEOSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001484412153 915739435 /nfs/dbraw/zinc/73/94/35/915739435.db2.gz LVXHVSMVOJHVBG-GASCZTMLSA-N 2 0 279.428 1.295 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001484654716 916001703 /nfs/dbraw/zinc/00/17/03/916001703.db2.gz VQNURXNKRIAXPV-HUUCEWRRSA-N 2 0 291.439 1.818 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001484663336 916009487 /nfs/dbraw/zinc/00/94/87/916009487.db2.gz PRSMNZYMHAMXTM-UHFFFAOYSA-N 2 0 287.835 1.708 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001484769550 916147343 /nfs/dbraw/zinc/14/73/43/916147343.db2.gz XHFUFQOPBCGOKX-UHFFFAOYSA-N 2 0 281.444 1.829 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001484904960 916258429 /nfs/dbraw/zinc/25/84/29/916258429.db2.gz LUYOCPNTPWQYTI-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001485192842 916654105 /nfs/dbraw/zinc/65/41/05/916654105.db2.gz XMKTZFGLGYUBAJ-GHMZBOCLSA-N 2 0 261.797 1.173 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001485386481 916937470 /nfs/dbraw/zinc/93/74/70/916937470.db2.gz AEAUXEMRGZUGCZ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH2+][C@H](CCN(C)C(=O)C[N@H+](C)C(C)C)C(C)C ZINC001485440951 916972126 /nfs/dbraw/zinc/97/21/26/916972126.db2.gz CMBXHIFNXAKLPV-MRXNPFEDSA-N 2 0 295.471 1.813 10 30 CDEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001486438627 921016392 /nfs/dbraw/zinc/01/63/92/921016392.db2.gz SDELFELDDJKAMD-UKRRQHHQSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[NH+]1CC=C(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001486519921 921095156 /nfs/dbraw/zinc/09/51/56/921095156.db2.gz ZCTJXYSABQUMFU-MRXNPFEDSA-N 2 0 291.439 1.653 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)C[NH+](C)C(C)C ZINC001266112516 944685486 /nfs/dbraw/zinc/68/54/86/944685486.db2.gz RHMAKRDMUXIXSB-UHFFFAOYSA-N 2 0 267.417 1.178 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001491061602 936847672 /nfs/dbraw/zinc/84/76/72/936847672.db2.gz PLSCHEHQRGLOQL-XHSDSOJGSA-N 2 0 291.439 1.509 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001491504099 936926285 /nfs/dbraw/zinc/92/62/85/936926285.db2.gz ISAJUPQTJPMMFO-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCC)CCC2)CC1 ZINC001273201314 924537620 /nfs/dbraw/zinc/53/76/20/924537620.db2.gz LDYPZNUWYNDGOS-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001490449165 927164811 /nfs/dbraw/zinc/16/48/11/927164811.db2.gz LIWWOQOICMZSIT-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001568500221 1169333526 /nfs/dbraw/zinc/33/35/26/1169333526.db2.gz GRQZPRJCBBNJDK-UHFFFAOYSA-N 2 0 297.443 1.064 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001274152710 931205681 /nfs/dbraw/zinc/20/56/81/931205681.db2.gz HIDRCFWKZPFRQN-MOEXGYKKSA-N 2 0 291.439 1.392 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001136669887 931252836 /nfs/dbraw/zinc/25/28/36/931252836.db2.gz UHPVFMORUVBICL-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001274452381 931501229 /nfs/dbraw/zinc/50/12/29/931501229.db2.gz BBVQZQITQSVGJN-GJZGRUSLSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001276262547 932696782 /nfs/dbraw/zinc/69/67/82/932696782.db2.gz ZCVMBQFATLSWPN-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001276333802 935017582 /nfs/dbraw/zinc/01/75/82/935017582.db2.gz XBZRZHDKZDWFHM-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001122235295 937914660 /nfs/dbraw/zinc/91/46/60/937914660.db2.gz LPQYCBSNUIUUKT-IYBDPMFKSA-N 2 0 291.439 1.770 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCCC1 ZINC001278267385 945225468 /nfs/dbraw/zinc/22/54/68/945225468.db2.gz LPZSNJOTERORQO-INIZCTEOSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH+]1CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001276866387 941660451 /nfs/dbraw/zinc/66/04/51/941660451.db2.gz CSZRXHUQQWYGBZ-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CN1CC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001276923500 941700759 /nfs/dbraw/zinc/70/07/59/941700759.db2.gz JGKBHEDZVUQZOJ-ZIAGYGMSSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001277210161 942178266 /nfs/dbraw/zinc/17/82/66/942178266.db2.gz JFVXVCYPICVQBS-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[N@@H+](CC)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001281841003 942623873 /nfs/dbraw/zinc/62/38/73/942623873.db2.gz UXNGNWYEFRAGRA-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001282498135 942723483 /nfs/dbraw/zinc/72/34/83/942723483.db2.gz VOBDXRAUSWPSKS-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001282739572 942748012 /nfs/dbraw/zinc/74/80/12/942748012.db2.gz VFVBMOQPYDCSOS-KBPBESRZSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001283174268 942844590 /nfs/dbraw/zinc/84/45/90/942844590.db2.gz RNQCUJRYLUVISW-CVEARBPZSA-N 2 0 293.455 1.757 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001284096019 943076588 /nfs/dbraw/zinc/07/65/88/943076588.db2.gz KUGZAOPZDCTPSD-RBSFLKMASA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001277678550 943319087 /nfs/dbraw/zinc/31/90/87/943319087.db2.gz VZKUPPDVUQXAIR-OAHLLOKOSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001277836408 943762833 /nfs/dbraw/zinc/76/28/33/943762833.db2.gz NNIRQZJXGLAKTG-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001264125142 944083984 /nfs/dbraw/zinc/08/39/84/944083984.db2.gz COWGIRZRIAZWPP-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001264407253 944127740 /nfs/dbraw/zinc/12/77/40/944127740.db2.gz SNXZYJWGIUJKDB-OKILXGFUSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001265173250 944259777 /nfs/dbraw/zinc/25/97/77/944259777.db2.gz YQZYYTXRODHCNF-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001265215924 944282158 /nfs/dbraw/zinc/28/21/58/944282158.db2.gz DWHDHQHHQOYWIK-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265230900 944288458 /nfs/dbraw/zinc/28/84/58/944288458.db2.gz NVUFWHHXHQTILV-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001265815403 944520028 /nfs/dbraw/zinc/52/00/28/944520028.db2.gz ZCDHSWRXOOIDPA-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001265952595 944594786 /nfs/dbraw/zinc/59/47/86/944594786.db2.gz QTRWACCGXHQSSA-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001266008791 944626278 /nfs/dbraw/zinc/62/62/78/944626278.db2.gz JQYLUIZJFPDPBS-ZNMIVQPWSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001279265656 944788918 /nfs/dbraw/zinc/78/89/18/944788918.db2.gz YFQWQDUHCWVRIQ-UHFFFAOYSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568865383 1169525415 /nfs/dbraw/zinc/52/54/15/1169525415.db2.gz BYHDAQJGORCMMS-XVWMLYKFSA-N 2 0 279.428 1.699 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001479913370 971484541 /nfs/dbraw/zinc/48/45/41/971484541.db2.gz YUOMIDKISHBVIH-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001569030142 1169603934 /nfs/dbraw/zinc/60/39/34/1169603934.db2.gz FGNXNSYTEDDTCW-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001480325704 971671575 /nfs/dbraw/zinc/67/15/75/971671575.db2.gz UWOJNZPRHGKYKD-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001278636795 950772872 /nfs/dbraw/zinc/77/28/72/950772872.db2.gz JDFJFAHULSRRTQ-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001480666067 971831032 /nfs/dbraw/zinc/83/10/32/971831032.db2.gz RJAPAUDFVUZVBW-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001480798982 971884146 /nfs/dbraw/zinc/88/41/46/971884146.db2.gz YTKAYVFEGKPOCD-AWEZNQCLSA-N 2 0 287.407 1.479 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001493297239 972009976 /nfs/dbraw/zinc/00/99/76/972009976.db2.gz KHVAEIWWYHLYJW-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001327927239 955117840 /nfs/dbraw/zinc/11/78/40/955117840.db2.gz VTFZFBOEYOFNRZ-JKSUJKDBSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317176738 955291753 /nfs/dbraw/zinc/29/17/53/955291753.db2.gz DMTGLQGFKBHEJF-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001491761984 955410079 /nfs/dbraw/zinc/41/00/79/955410079.db2.gz SDRXTNPUOWYLAP-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001328732962 955449612 /nfs/dbraw/zinc/44/96/12/955449612.db2.gz LIYVPZBFHOEDBZ-HNNXBMFYSA-N 2 0 277.412 1.027 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001328859183 955516586 /nfs/dbraw/zinc/51/65/86/955516586.db2.gz KAWYHDRPSXFWBH-SSHXOBKSSA-N 2 0 291.439 1.224 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001329170587 955732254 /nfs/dbraw/zinc/73/22/54/955732254.db2.gz IPMRZKVJGOEVKO-OLZOCXBDSA-N 2 0 265.401 1.141 10 30 CDEERP C#CCC[N@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001492303818 955789217 /nfs/dbraw/zinc/78/92/17/955789217.db2.gz PPWSMJXWPVJILA-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001493255471 955890285 /nfs/dbraw/zinc/89/02/85/955890285.db2.gz UQDLPHCYQGEJLN-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001480651723 955891066 /nfs/dbraw/zinc/89/10/66/955891066.db2.gz METXIEAYPVPOTH-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001329439732 955916028 /nfs/dbraw/zinc/91/60/28/955916028.db2.gz BURITCJKTDOZTG-UKRRQHHQSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001317336311 956185566 /nfs/dbraw/zinc/18/55/66/956185566.db2.gz HYXAUECAVJQTRL-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317467507 956341269 /nfs/dbraw/zinc/34/12/69/956341269.db2.gz UXGWIIFCEQMRBI-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001330610936 956515163 /nfs/dbraw/zinc/51/51/63/956515163.db2.gz UIVQFXMFWOHUMN-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)Cn1ccnc1 ZINC001423192920 956659361 /nfs/dbraw/zinc/65/93/61/956659361.db2.gz YSABAGCDQLFIPK-LLVKDONJSA-N 2 0 270.764 1.072 10 30 CDEERP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001331001570 956753362 /nfs/dbraw/zinc/75/33/62/956753362.db2.gz OYULDOASONOYMB-MRXNPFEDSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001331347759 956981991 /nfs/dbraw/zinc/98/19/91/956981991.db2.gz OPHXGTBUQSKQIM-JKSUJKDBSA-N 2 0 295.471 1.975 10 30 CDEERP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316771670 957006991 /nfs/dbraw/zinc/00/69/91/957006991.db2.gz LRSJSSOEUFZTQS-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001317124383 957288422 /nfs/dbraw/zinc/28/84/22/957288422.db2.gz KLULXPBMYCOQGC-LVQVYYBASA-N 2 0 291.439 1.367 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001317124381 957289062 /nfs/dbraw/zinc/28/90/62/957289062.db2.gz KLULXPBMYCOQGC-CAOSSQGBSA-N 2 0 291.439 1.367 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001317157021 957311308 /nfs/dbraw/zinc/31/13/08/957311308.db2.gz CHDYJPASYLJLQB-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317177399 957325482 /nfs/dbraw/zinc/32/54/82/957325482.db2.gz UOAWWVAKQDHHMH-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317322267 957422457 /nfs/dbraw/zinc/42/24/57/957422457.db2.gz NAZDVEXASSBZJE-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[N@H+](C)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001317452944 957487144 /nfs/dbraw/zinc/48/71/44/957487144.db2.gz KCYSBCMMAGBEDL-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317533717 957534278 /nfs/dbraw/zinc/53/42/78/957534278.db2.gz WWLFOHYLTZUVHL-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317807697 957671025 /nfs/dbraw/zinc/67/10/25/957671025.db2.gz AYICXSVPWUUWMW-CQSZACIVSA-N 2 0 277.412 1.096 10 30 CDEERP C=CC[N@@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001317883876 957810459 /nfs/dbraw/zinc/81/04/59/957810459.db2.gz GWVUKIVJZQBAJF-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001318698451 958237692 /nfs/dbraw/zinc/23/76/92/958237692.db2.gz LCRAMUWVLASNOV-OAHLLOKOSA-N 2 0 276.384 1.403 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CC)C2CC2)CC1 ZINC001318728778 958247387 /nfs/dbraw/zinc/24/73/87/958247387.db2.gz PKELMJNGWXAWML-QGZVFWFLSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001319478206 958585174 /nfs/dbraw/zinc/58/51/74/958585174.db2.gz SELXGDKXNNPGAJ-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001319591230 958644361 /nfs/dbraw/zinc/64/43/61/958644361.db2.gz ZWKKYWRGQQTPEA-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001320020229 958869497 /nfs/dbraw/zinc/86/94/97/958869497.db2.gz GZABDFHMIYRCRJ-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001320067666 958919304 /nfs/dbraw/zinc/91/93/04/958919304.db2.gz AWIDRQZSXVUNAZ-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CC ZINC001569343106 1169772924 /nfs/dbraw/zinc/77/29/24/1169772924.db2.gz PCTTVYYXCWRYQO-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001336004762 960147664 /nfs/dbraw/zinc/14/76/64/960147664.db2.gz XNFBORHWQFIPTH-QWHCGFSZSA-N 2 0 280.416 1.063 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001322998439 960397914 /nfs/dbraw/zinc/39/79/14/960397914.db2.gz AHRFXNLOCFLPKB-ARFHVFGLSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001420014251 962367237 /nfs/dbraw/zinc/36/72/37/962367237.db2.gz MALXCKFNRGRMMA-CHWSQXEVSA-N 2 0 285.819 1.129 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001442079569 964859831 /nfs/dbraw/zinc/85/98/31/964859831.db2.gz GGGKYZALZJKRSU-CZUORRHYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001445395795 966185070 /nfs/dbraw/zinc/18/50/70/966185070.db2.gz PPZDXXIGERPBMT-VXGBXAGGSA-N 2 0 273.808 1.318 10 30 CDEERP C=CCC[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC001460886594 969559629 /nfs/dbraw/zinc/55/96/29/969559629.db2.gz OACFBRWLDJOEOD-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001357457204 969592836 /nfs/dbraw/zinc/59/28/36/969592836.db2.gz GIHYKEZPMNJWAQ-XQQFMLRXSA-N 2 0 251.374 1.023 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001496097968 972792742 /nfs/dbraw/zinc/79/27/42/972792742.db2.gz JSSRKLNKNDZXRJ-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001569651464 1169953757 /nfs/dbraw/zinc/95/37/57/1169953757.db2.gz RWKKMXMIKMWPJG-MRXNPFEDSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001496915884 973143338 /nfs/dbraw/zinc/14/33/38/973143338.db2.gz NKWMUOKEFBMVPZ-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001497991043 973600753 /nfs/dbraw/zinc/60/07/53/973600753.db2.gz RZBSTXROLSNOFJ-CQSZACIVSA-N 2 0 287.407 1.479 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001498421882 973901293 /nfs/dbraw/zinc/90/12/93/973901293.db2.gz LUUBZEYXAIPVEC-HNNXBMFYSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001498490221 973945446 /nfs/dbraw/zinc/94/54/46/973945446.db2.gz NLGIKBBFGXFTFQ-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001498621947 974001781 /nfs/dbraw/zinc/00/17/81/974001781.db2.gz RIUNMUXJKQMLFS-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001499101313 974185401 /nfs/dbraw/zinc/18/54/01/974185401.db2.gz XDEYZQXQLDKDPX-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001499244215 974222203 /nfs/dbraw/zinc/22/22/03/974222203.db2.gz YBVKDFRSWBRNSY-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001500225551 974406091 /nfs/dbraw/zinc/40/60/91/974406091.db2.gz LYZDUSOIQWVLAW-HOCLYGCPSA-N 2 0 299.434 1.823 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001500347520 974426631 /nfs/dbraw/zinc/42/66/31/974426631.db2.gz HVZHKBMJALAWFW-DOTOQJQBSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001505830140 974996664 /nfs/dbraw/zinc/99/66/64/974996664.db2.gz XMLDVAGJUQDFAF-GJZGRUSLSA-N 2 0 293.455 1.424 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001506541718 975176876 /nfs/dbraw/zinc/17/68/76/975176876.db2.gz JVVQAZKPOWRLOD-QLFBSQMISA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001506549762 975177935 /nfs/dbraw/zinc/17/79/35/975177935.db2.gz UAFOCXSDXFOLTE-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001506550954 975178193 /nfs/dbraw/zinc/17/81/93/975178193.db2.gz APKIJKRFQYBGKJ-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507029666 975299784 /nfs/dbraw/zinc/29/97/84/975299784.db2.gz XNTRRQRFKNUIJU-GOEBONIOSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001508072216 975598975 /nfs/dbraw/zinc/59/89/75/975598975.db2.gz APHSFBVABKWAOG-AWEZNQCLSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001508180919 975629872 /nfs/dbraw/zinc/62/98/72/975629872.db2.gz XKPLRUZSOBDYNM-HNNXBMFYSA-N 2 0 297.443 1.111 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001406375164 976156969 /nfs/dbraw/zinc/15/69/69/976156969.db2.gz ARRPHTRURIXBOT-VXGBXAGGSA-N 2 0 296.802 1.292 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001406782131 976403682 /nfs/dbraw/zinc/40/36/82/976403682.db2.gz YARVHOXTBMJIID-BNOWGMLFSA-N 2 0 299.846 1.564 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001407535350 976691523 /nfs/dbraw/zinc/69/15/23/976691523.db2.gz MBFBOBUBDXTFNV-JSGCOSHPSA-N 2 0 299.846 1.519 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001569826537 1170007120 /nfs/dbraw/zinc/00/71/20/1170007120.db2.gz STYWMJQAPHWIGR-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001393523257 977817385 /nfs/dbraw/zinc/81/73/85/977817385.db2.gz HAWLFPDWTLQYCA-KGLIPLIRSA-N 2 0 299.846 1.804 10 30 CDEERP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001570740077 1170264413 /nfs/dbraw/zinc/26/44/13/1170264413.db2.gz LDOZWOACSZZRBM-CVEARBPZSA-N 2 0 293.455 1.709 10 30 CDEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571257193 1170355645 /nfs/dbraw/zinc/35/56/45/1170355645.db2.gz MAYGWDSULURLPB-RBSFLKMASA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001571493991 1170453356 /nfs/dbraw/zinc/45/33/56/1170453356.db2.gz YDBQHEPCGTWFLD-KGLIPLIRSA-N 2 0 267.417 1.482 10 30 CDEERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437770 342905998 /nfs/dbraw/zinc/90/59/98/342905998.db2.gz PFICNWILOPWIGX-RRFJBIMHSA-N 2 0 292.427 1.340 10 30 CDEERP CCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594436992 342903726 /nfs/dbraw/zinc/90/37/26/342903726.db2.gz HFTLFNDPYXCBFC-HNNXBMFYSA-N 2 0 294.443 1.778 10 30 CDEERP C[NH+](C)CCC[C@H]1C[N@H+](CCCSCC#N)CCO1 ZINC000595907747 343188886 /nfs/dbraw/zinc/18/88/86/343188886.db2.gz XOLBKDOXMRWRFM-AWEZNQCLSA-N 2 0 285.457 1.676 10 30 CDEERP C[C@H](C[C@@](C)(N)C#N)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000084293407 178846183 /nfs/dbraw/zinc/84/61/83/178846183.db2.gz KFMXZUMVRJDBKE-TZMCWYRMSA-N 2 0 252.406 1.280 10 30 CDEERP C=CCOc1ccc(C[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000623756807 346046900 /nfs/dbraw/zinc/04/69/00/346046900.db2.gz GPJHUQVDKVXDFO-OAHLLOKOSA-N 2 0 276.380 1.408 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001661045436 1172328596 /nfs/dbraw/zinc/32/85/96/1172328596.db2.gz JLDWQLFLLHCIDF-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH+]1CCC(N(CCC)C(=O)C[NH+]2CCCC2)CC1 ZINC001661096998 1172333685 /nfs/dbraw/zinc/33/36/85/1172333685.db2.gz HGVCOKNNYHMGEI-UHFFFAOYSA-N 2 0 291.439 1.418 10 30 CDEERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000422986838 374366825 /nfs/dbraw/zinc/36/68/25/374366825.db2.gz DKSBAYCVPWXYEL-XJKSGUPXSA-N 2 0 273.380 1.915 10 30 CDEERP C=CCNC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515664 376002957 /nfs/dbraw/zinc/00/29/57/376002957.db2.gz MPOMDAYERIJXKB-CYBMUJFWSA-N 2 0 274.368 1.118 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001662423994 1172548409 /nfs/dbraw/zinc/54/84/09/1172548409.db2.gz HVVZRTHSWMFINE-AWEZNQCLSA-N 2 0 267.417 1.533 10 30 CDEERP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(C#N)cc1F ZINC000447601784 250394018 /nfs/dbraw/zinc/39/40/18/250394018.db2.gz RBAUNQLATPCMEK-LBPRGKRZSA-N 2 0 279.359 1.926 10 30 CDEERP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001663040853 1172632984 /nfs/dbraw/zinc/63/29/84/1172632984.db2.gz UUTNEZLTGAOOHJ-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001663547162 1172720898 /nfs/dbraw/zinc/72/08/98/1172720898.db2.gz AMPKREHEEVAWRY-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP COCC[N@H+](Cc1cc(C#CC[NH3+])cs1)[C@@H](C)COC ZINC000043689110 175096079 /nfs/dbraw/zinc/09/60/79/175096079.db2.gz MKSWQQXCVRDWAG-ZDUSSCGKSA-N 2 0 296.436 1.542 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001667085543 1173232534 /nfs/dbraw/zinc/23/25/34/1173232534.db2.gz AOCHOPPBYGJCID-QLFBSQMISA-N 2 0 279.428 1.080 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC(C)([NH3+])CC2)CCC[NH2+]1 ZINC000662769518 424430115 /nfs/dbraw/zinc/43/01/15/424430115.db2.gz GDPHUMAHPRYHLY-CQSZACIVSA-N 2 0 251.374 1.025 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001667459890 1173271587 /nfs/dbraw/zinc/27/15/87/1173271587.db2.gz WSUKQBBYRSTRNS-CVEARBPZSA-N 2 0 293.455 1.635 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001670275492 1173669910 /nfs/dbraw/zinc/66/99/10/1173669910.db2.gz NZPGOPARUVZMIH-CYBMUJFWSA-N 2 0 276.384 1.050 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001671437308 1173682334 /nfs/dbraw/zinc/68/23/34/1173682334.db2.gz RCHXKLLTFXFQCA-UHFFFAOYSA-N 2 0 291.439 1.466 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001672863492 1173805556 /nfs/dbraw/zinc/80/55/56/1173805556.db2.gz MXKBTBVJNUCWDM-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCCC[N@@H+]2C2CC2)CCO1 ZINC000262440438 330013135 /nfs/dbraw/zinc/01/31/35/330013135.db2.gz HMGVJYXYXCIKIK-OCCSQVGLSA-N 2 0 280.416 1.039 10 30 CDEERP COC1CC[NH+](C2(CNC(=[NH2+])NC3CC3)CCCC2)CC1 ZINC000263132328 330044930 /nfs/dbraw/zinc/04/49/30/330044930.db2.gz HDSFLLDJDSYOLT-UHFFFAOYSA-N 2 0 294.443 1.477 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001699440884 1159643364 /nfs/dbraw/zinc/64/33/64/1159643364.db2.gz HSOFFROPCRWHFY-HUUCEWRRSA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001732359327 1159784704 /nfs/dbraw/zinc/78/47/04/1159784704.db2.gz BMKWEKZWUBZDRW-UONOGXRCSA-N 2 0 267.417 1.246 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001670793516 1159851902 /nfs/dbraw/zinc/85/19/02/1159851902.db2.gz SOVKRUIRCROADA-UHFFFAOYSA-N 2 0 265.401 1.285 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001268716954 1160007749 /nfs/dbraw/zinc/00/77/49/1160007749.db2.gz OJYREOFSOKTBGD-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001733046099 1160469996 /nfs/dbraw/zinc/46/99/96/1160469996.db2.gz VNUWIEWLZBXVFW-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)[C@H](CO)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000678049970 482910503 /nfs/dbraw/zinc/91/05/03/482910503.db2.gz RNJSTEUPGYYKBV-HNNXBMFYSA-N 2 0 254.418 1.976 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)CCC)C1 ZINC001732187188 1182842125 /nfs/dbraw/zinc/84/21/25/1182842125.db2.gz YJSAWCPMEZTUAI-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000900198807 622813507 /nfs/dbraw/zinc/81/35/07/622813507.db2.gz JUDHARIZVDOJFY-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000900522272 623153730 /nfs/dbraw/zinc/15/37/30/623153730.db2.gz AGDJFDYZSAIJOR-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000900586147 623297201 /nfs/dbraw/zinc/29/72/01/623297201.db2.gz HWKBMUHIHMFELA-UHFFFAOYSA-N 2 0 269.433 1.541 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000900687712 623373804 /nfs/dbraw/zinc/37/38/04/623373804.db2.gz XIYIUPWWJPZBOY-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000900888213 623609549 /nfs/dbraw/zinc/60/95/49/623609549.db2.gz VHJMDNOCIOOPEK-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000901273447 624060192 /nfs/dbraw/zinc/06/01/92/624060192.db2.gz WVORLCDRWYKGTK-KGLIPLIRSA-N 2 0 267.417 1.435 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000907959689 627926950 /nfs/dbraw/zinc/92/69/50/627926950.db2.gz MPJJARBLYNOZMT-UHFFFAOYSA-N 2 0 267.417 1.439 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000912065671 629747405 /nfs/dbraw/zinc/74/74/05/629747405.db2.gz MQEKAIZKKRSJIX-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001690317324 1175435309 /nfs/dbraw/zinc/43/53/09/1175435309.db2.gz GBFXZXZXAKHHGN-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP N#Cc1ccc(NCCN[C@H]2CC[NH2+]C23CCCC3)nc1 ZINC000925894481 693946226 /nfs/dbraw/zinc/94/62/26/693946226.db2.gz YXSUSVOMHRVKTJ-AWEZNQCLSA-N 2 0 285.395 1.629 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000876728249 693963404 /nfs/dbraw/zinc/96/34/04/693963404.db2.gz ZAUMIELEDJPYBU-TUAOUCFPSA-N 2 0 271.792 1.199 10 30 CDEERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(C#N)cc1 ZINC000925815429 688270699 /nfs/dbraw/zinc/27/06/99/688270699.db2.gz QOZLBFWDFHUOHH-ZDUSSCGKSA-N 2 0 272.396 1.632 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000876967321 688332364 /nfs/dbraw/zinc/33/23/64/688332364.db2.gz FBUVVPIEUZGDBS-JSGCOSHPSA-N 2 0 299.846 1.980 10 30 CDEERP CC[NH+]1CCC(CCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852867804 688431991 /nfs/dbraw/zinc/43/19/91/688431991.db2.gz CVFYKOHGDYJUBO-UHFFFAOYSA-N 2 0 291.439 1.228 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001724943250 1158887496 /nfs/dbraw/zinc/88/74/96/1158887496.db2.gz DGVNOAOGSASPDB-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000925775554 692240227 /nfs/dbraw/zinc/24/02/27/692240227.db2.gz HFIPQIFGYPQFJF-GRYCIOLGSA-N 2 0 257.328 1.903 10 30 CDEERP C[N@H+](CCc1cccc(C#N)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000866698499 692594352 /nfs/dbraw/zinc/59/43/52/692594352.db2.gz WOCFRAOIOLAHQP-INIZCTEOSA-N 2 0 285.391 1.554 10 30 CDEERP CCCCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303694559 692645898 /nfs/dbraw/zinc/64/58/98/692645898.db2.gz DAQVTUCZPMTMPR-CYBMUJFWSA-N 2 0 254.422 1.955 10 30 CDEERP C#CC[NH+](C)CCCNC(=O)N(CC)[C@H]1CC[N@H+](CC)C1 ZINC000854094117 692836167 /nfs/dbraw/zinc/83/61/67/692836167.db2.gz FCADHMLVFLRZTB-HNNXBMFYSA-N 2 0 294.443 1.067 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000877246243 693164826 /nfs/dbraw/zinc/16/48/26/693164826.db2.gz SFOOVQNEUNQLKY-HLPPOEQASA-N 2 0 277.412 1.332 10 30 CDEERP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867976715 694844513 /nfs/dbraw/zinc/84/45/13/694844513.db2.gz RQEUIOPKASYBAV-HUUCEWRRSA-N 2 0 298.390 1.002 10 30 CDEERP COC[C@@H](C)NC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000303897655 694870627 /nfs/dbraw/zinc/87/06/27/694870627.db2.gz QTHCFHFXRAIMQF-GFCCVEGCSA-N 2 0 270.421 1.190 10 30 CDEERP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N1CCCCCC1 ZINC000125967719 695095229 /nfs/dbraw/zinc/09/52/29/695095229.db2.gz PPASURMBHCXZIE-CYBMUJFWSA-N 2 0 254.422 1.907 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001670556413 1158644673 /nfs/dbraw/zinc/64/46/73/1158644673.db2.gz LFNVHRWETQYBSL-JKSUJKDBSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001691347965 1159029170 /nfs/dbraw/zinc/02/91/70/1159029170.db2.gz VJHYFVOJEAKIIR-OWCLPIDISA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)[C@H]1C ZINC001692214285 1159157354 /nfs/dbraw/zinc/15/73/54/1159157354.db2.gz WAQRQQPMSZVPNQ-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001481059935 1159507885 /nfs/dbraw/zinc/50/78/85/1159507885.db2.gz WLPPZRUJDKJYTA-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1 ZINC001481683998 1159876206 /nfs/dbraw/zinc/87/62/06/1159876206.db2.gz DHYAPQUDOCURNZ-KKUMJFAQSA-N 2 0 288.395 1.523 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001630911656 1166242407 /nfs/dbraw/zinc/24/24/07/1166242407.db2.gz QJDPHUAXEGREDC-GDBMZVCRSA-N 2 0 291.439 1.580 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001566726787 1168401980 /nfs/dbraw/zinc/40/19/80/1168401980.db2.gz WFKIPMRIVLUOIR-MRXNPFEDSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001566901592 1168461699 /nfs/dbraw/zinc/46/16/99/1168461699.db2.gz GQDONOOJGMIXNV-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567404140 1168737245 /nfs/dbraw/zinc/73/72/45/1168737245.db2.gz UWBDRYUXDCGYPP-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567415629 1168742296 /nfs/dbraw/zinc/74/22/96/1168742296.db2.gz PIABYBOOZRQQFG-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001568033835 1169124724 /nfs/dbraw/zinc/12/47/24/1169124724.db2.gz JUMXEAZDPBNCHN-QGZVFWFLSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001569254115 1169738312 /nfs/dbraw/zinc/73/83/12/1169738312.db2.gz FIWDUABWAFHCIQ-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001569557263 1169922751 /nfs/dbraw/zinc/92/27/51/1169922751.db2.gz SUHBPWLSDRCZES-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001570801016 1170281716 /nfs/dbraw/zinc/28/17/16/1170281716.db2.gz DXMMNUNECKWORB-UHFFFAOYSA-N 2 0 267.417 1.533 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001660826813 1172284722 /nfs/dbraw/zinc/28/47/22/1172284722.db2.gz ZZSXDRSXMRNWHZ-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001662995654 1172626008 /nfs/dbraw/zinc/62/60/08/1172626008.db2.gz UUEKPERXIOJIGB-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)CCC[NH+](C)C)CC1 ZINC001671849186 1173716632 /nfs/dbraw/zinc/71/66/32/1173716632.db2.gz JSLSSBXMICGAPB-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001690737886 1175559809 /nfs/dbraw/zinc/55/98/09/1175559809.db2.gz AFQHHUULNFGNSC-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001690740643 1175561404 /nfs/dbraw/zinc/56/14/04/1175561404.db2.gz AZKAUHKFYOJOTD-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001692166388 1175688725 /nfs/dbraw/zinc/68/87/25/1175688725.db2.gz BNDBNFDUXFQSNX-KFWWJZLASA-N 2 0 299.434 1.821 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001698763424 1175922431 /nfs/dbraw/zinc/92/24/31/1175922431.db2.gz BPPYDMYKFUSPGG-CYBMUJFWSA-N 2 0 267.417 1.246 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699310482 1176212631 /nfs/dbraw/zinc/21/26/31/1176212631.db2.gz YKQHDIKAHBURNC-MOEXGYKKSA-N 2 0 295.402 1.094 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001699482729 1176439905 /nfs/dbraw/zinc/43/99/05/1176439905.db2.gz FINBLSCJNHVAKC-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001699742801 1176600584 /nfs/dbraw/zinc/60/05/84/1176600584.db2.gz JLAQAVQTOGUGEZ-KGLIPLIRSA-N 2 0 267.417 1.482 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001699751312 1176607109 /nfs/dbraw/zinc/60/71/09/1176607109.db2.gz AFZKDAAREKETGY-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001699876449 1176666443 /nfs/dbraw/zinc/66/64/43/1176666443.db2.gz YEGHXPDGIUHYIB-INMHGKMJSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001700358730 1176873586 /nfs/dbraw/zinc/87/35/86/1176873586.db2.gz YZFWHIYNJCRKRL-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001700780001 1177130539 /nfs/dbraw/zinc/13/05/39/1177130539.db2.gz HORBMSMNJYNRIE-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001707113816 1177954032 /nfs/dbraw/zinc/95/40/32/1177954032.db2.gz CRIJBTBSVKQDDC-HRCADAONSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001707447264 1178049656 /nfs/dbraw/zinc/04/96/56/1178049656.db2.gz XVHGPZKGVIURDY-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](CC)CCC ZINC001707457235 1178056205 /nfs/dbraw/zinc/05/62/05/1178056205.db2.gz XETBETKEIPUHQC-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001712950528 1178261453 /nfs/dbraw/zinc/26/14/53/1178261453.db2.gz MACVLLMXZRSYQJ-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001712954883 1178265715 /nfs/dbraw/zinc/26/57/15/1178265715.db2.gz UWAVYJTVJNXVGF-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713311160 1178489886 /nfs/dbraw/zinc/48/98/86/1178489886.db2.gz JYNDAMVGNCRLDB-UKRRQHHQSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001713339182 1178508555 /nfs/dbraw/zinc/50/85/55/1178508555.db2.gz CRINAPIGAGIYEU-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001713418820 1178549902 /nfs/dbraw/zinc/54/99/02/1178549902.db2.gz KKQXAMZJCYAFTI-CABCVRRESA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001713477903 1178594074 /nfs/dbraw/zinc/59/40/74/1178594074.db2.gz IKTCJRWICMXOBE-UHFFFAOYSA-N 2 0 281.444 1.877 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001713495682 1178607840 /nfs/dbraw/zinc/60/78/40/1178607840.db2.gz SYGPNUGKFPDSOZ-INIZCTEOSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001713564797 1178651017 /nfs/dbraw/zinc/65/10/17/1178651017.db2.gz LJEPLEQXZQHLAP-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001713755657 1178740196 /nfs/dbraw/zinc/74/01/96/1178740196.db2.gz FUIFMDSMUBMXMO-JKSUJKDBSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001713854940 1178794245 /nfs/dbraw/zinc/79/42/45/1178794245.db2.gz IOVSYNHBUHPACP-HNNXBMFYSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713987061 1178911738 /nfs/dbraw/zinc/91/17/38/1178911738.db2.gz BRZJKKSRRLIPIA-DGXTUMSLSA-N 2 0 293.455 1.918 10 30 CDEERP C=CC[N@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001714116073 1178981036 /nfs/dbraw/zinc/98/10/36/1178981036.db2.gz XFWWPNQSBHSOKN-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1 ZINC001714304416 1179076536 /nfs/dbraw/zinc/07/65/36/1179076536.db2.gz GFKCHIIFNZDVNK-INIZCTEOSA-N 2 0 299.418 1.228 10 30 CDEERP C=CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001714323530 1179084391 /nfs/dbraw/zinc/08/43/91/1179084391.db2.gz LDYGHYUCDXJHMR-UHFFFAOYSA-N 2 0 289.423 1.919 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001714474917 1179159684 /nfs/dbraw/zinc/15/96/84/1179159684.db2.gz HJIWCOUCBXKSPQ-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714610941 1179265348 /nfs/dbraw/zinc/26/53/48/1179265348.db2.gz VBQZEWMZVHBNRV-HIFRSBDPSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)CC[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001714660491 1179306790 /nfs/dbraw/zinc/30/67/90/1179306790.db2.gz ULNGPAFFRQNWRH-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001714812773 1179407068 /nfs/dbraw/zinc/40/70/68/1179407068.db2.gz NQEKDZDNHRXWDJ-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001714828371 1179412260 /nfs/dbraw/zinc/41/22/60/1179412260.db2.gz HYOCDQXXINDOEL-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001714894307 1179442516 /nfs/dbraw/zinc/44/25/16/1179442516.db2.gz GDTWBKSXIDKJNT-HUUCEWRRSA-N 2 0 299.434 1.633 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001714977791 1179488686 /nfs/dbraw/zinc/48/86/86/1179488686.db2.gz ZLAOUXJHIZYQSL-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001715006699 1179504362 /nfs/dbraw/zinc/50/43/62/1179504362.db2.gz YCEIAOIQDAGSQE-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001715455697 1179671349 /nfs/dbraw/zinc/67/13/49/1179671349.db2.gz GACDAYYWKDBZQO-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001716378627 1180173757 /nfs/dbraw/zinc/17/37/57/1180173757.db2.gz KHKLIVUSIVQWRE-WAYWQWQTSA-N 2 0 285.391 1.257 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001716421457 1180197436 /nfs/dbraw/zinc/19/74/36/1180197436.db2.gz JRDWHSSBFWQTQM-HIFRSBDPSA-N 2 0 265.401 1.143 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001716693071 1180372333 /nfs/dbraw/zinc/37/23/33/1180372333.db2.gz ALJGTICNDUOLMT-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001716818558 1180424611 /nfs/dbraw/zinc/42/46/11/1180424611.db2.gz GATZLKVXVAOKFQ-HZPDHXFCSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001716849081 1180439416 /nfs/dbraw/zinc/43/94/16/1180439416.db2.gz QNWBNRVRMTVQQQ-KRWDZBQOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001716887417 1180453738 /nfs/dbraw/zinc/45/37/38/1180453738.db2.gz LZCZEQCOHMNGBW-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001716895530 1180457088 /nfs/dbraw/zinc/45/70/88/1180457088.db2.gz JYKYWDNBGVHYTP-NVXWUHKLSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001717089635 1180528402 /nfs/dbraw/zinc/52/84/02/1180528402.db2.gz VWIKGPYVPKZNPV-OAHLLOKOSA-N 2 0 291.439 1.629 10 30 CDEERP C=CC[NH2+][C@H](CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001717516706 1180719649 /nfs/dbraw/zinc/71/96/49/1180719649.db2.gz OCBVJWFCXOTONO-JKSUJKDBSA-N 2 0 295.471 1.977 10 30 CDEERP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001717538911 1180728550 /nfs/dbraw/zinc/72/85/50/1180728550.db2.gz OJWFCNVDMMJIDN-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001723044077 1181513457 /nfs/dbraw/zinc/51/34/57/1181513457.db2.gz SXDQPUYISWLAIJ-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCC1 ZINC001724797061 1181757249 /nfs/dbraw/zinc/75/72/49/1181757249.db2.gz LQMFAHKQRCMNFE-UHFFFAOYSA-N 2 0 299.418 1.624 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001725051916 1181835888 /nfs/dbraw/zinc/83/58/88/1181835888.db2.gz DZYIMDSHXUJAFU-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001725242509 1181935280 /nfs/dbraw/zinc/93/52/80/1181935280.db2.gz ONKATWGNGPXASK-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725469995 1182011310 /nfs/dbraw/zinc/01/13/10/1182011310.db2.gz KKGRCGWGYKMOHP-GOEBONIOSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001725747283 1182120604 /nfs/dbraw/zinc/12/06/04/1182120604.db2.gz HEPYTVLJXMTILZ-AWEZNQCLSA-N 2 0 279.428 1.082 10 30 CDEERP C#CCC[N@H+](C)CCCNC(=O)C(C)(C)n1cnc(C)c1 ZINC001731249491 1182276928 /nfs/dbraw/zinc/27/69/28/1182276928.db2.gz YSDFHTXJDBVQQH-UHFFFAOYSA-N 2 0 290.411 1.388 10 30 CDEERP C#CCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001731271755 1182288693 /nfs/dbraw/zinc/28/86/93/1182288693.db2.gz UFFRFVXTMIQWRV-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001731875932 1182643219 /nfs/dbraw/zinc/64/32/19/1182643219.db2.gz WPJXADGRRCCCRH-INIZCTEOSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001732203614 1182855100 /nfs/dbraw/zinc/85/51/00/1182855100.db2.gz QCIOFJRXABWGCP-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001732219394 1182864946 /nfs/dbraw/zinc/86/49/46/1182864946.db2.gz ZVOVAFJVVUYPEV-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001732489153 1182987346 /nfs/dbraw/zinc/98/73/46/1182987346.db2.gz STSGISMUWLDRBH-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001732501697 1182991342 /nfs/dbraw/zinc/99/13/42/1182991342.db2.gz VBDJNVFUYZWOPV-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732791276 1183127294 /nfs/dbraw/zinc/12/72/94/1183127294.db2.gz ZYQRXFCNAVPQAN-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)CC1CC[NH+](C)CC1 ZINC001732800411 1183129512 /nfs/dbraw/zinc/12/95/12/1183129512.db2.gz ULIIKYXLALLDDI-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001733122153 1183297535 /nfs/dbraw/zinc/29/75/35/1183297535.db2.gz OTGOGKQEWQQWDV-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001733413414 1183425952 /nfs/dbraw/zinc/42/59/52/1183425952.db2.gz RNYSXBCPGDDQNN-DOTOQJQBSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001733603364 1183477047 /nfs/dbraw/zinc/47/70/47/1183477047.db2.gz NTIWDMRMWPYVKR-CVEARBPZSA-N 2 0 291.439 1.415 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001733778483 1183530585 /nfs/dbraw/zinc/53/05/85/1183530585.db2.gz MCUDJZPXDPKJKH-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001733850506 1183549292 /nfs/dbraw/zinc/54/92/92/1183549292.db2.gz SECHRWJWBIXEHE-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001733869176 1183555052 /nfs/dbraw/zinc/55/50/52/1183555052.db2.gz YAAXPZDQCORWRZ-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001733899532 1183563662 /nfs/dbraw/zinc/56/36/62/1183563662.db2.gz JILPIKVBQUTOFX-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001733904170 1183563737 /nfs/dbraw/zinc/56/37/37/1183563737.db2.gz ZIUSAHHNKXLSDJ-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001733980516 1183599993 /nfs/dbraw/zinc/59/99/93/1183599993.db2.gz VXWDUIMDBOYIKS-NWDGAFQWSA-N 2 0 286.379 1.925 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001734326515 1183733291 /nfs/dbraw/zinc/73/32/91/1183733291.db2.gz GVEYSYDOLFAUSX-HZSPNIEDSA-N 2 0 267.417 1.339 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001734408381 1183766390 /nfs/dbraw/zinc/76/63/90/1183766390.db2.gz OLJURWAMFGNACY-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001734554568 1183823539 /nfs/dbraw/zinc/82/35/39/1183823539.db2.gz NRLDJPRAWPAKGR-OAHLLOKOSA-N 2 0 279.428 1.130 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001734596664 1183839569 /nfs/dbraw/zinc/83/95/69/1183839569.db2.gz BQVOXYUWTNQTFV-UHFFFAOYSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000876751701 723088097 /nfs/dbraw/zinc/08/80/97/723088097.db2.gz VTIBXVCMLBZNBS-KOLCDFICSA-N 2 0 259.781 1.055 10 30 CDEERP CC[NH+](CC)CC1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801915356 723223435 /nfs/dbraw/zinc/22/34/35/723223435.db2.gz QLOIQEPLUPGOGX-CQSZACIVSA-N 2 0 267.417 1.969 10 30 CDEERP C=CC[C@@H]1CC[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000934473287 723357115 /nfs/dbraw/zinc/35/71/15/723357115.db2.gz ZIVXVYWTPHIBER-CQSZACIVSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000876883161 723513870 /nfs/dbraw/zinc/51/38/70/723513870.db2.gz ARCHPQNMPVZLAH-VXGBXAGGSA-N 2 0 273.808 1.399 10 30 CDEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCSC(C)(C)C1 ZINC000261918439 723519743 /nfs/dbraw/zinc/51/97/43/723519743.db2.gz KCTQUNFAWJTBMW-LBPRGKRZSA-N 2 0 284.473 1.483 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000877054428 723657416 /nfs/dbraw/zinc/65/74/16/723657416.db2.gz HWAUZDULSCLLAA-LBPRGKRZSA-N 2 0 295.770 1.577 10 30 CDEERP C[C@H]1CC(=O)[C@@](C)([N+]2(C)CCCCC2)C[N+]1(C)C ZINC000002034553 717093814 /nfs/dbraw/zinc/09/38/14/717093814.db2.gz QSIWBFWQWCYEQE-ZFWWWQNUSA-N 2 0 254.418 1.813 10 30 CDEERP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000305038101 723334765 /nfs/dbraw/zinc/33/47/65/723334765.db2.gz UFFPBNSDSIQXFQ-KGLIPLIRSA-N 2 0 282.432 1.048 10 30 CDEERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC[NH2+]CC1 ZINC000852871671 723451215 /nfs/dbraw/zinc/45/12/15/723451215.db2.gz ANHDUBKDENQFLY-CVEARBPZSA-N 2 0 289.423 1.075 10 30 CDEERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CCC3)C[C@@H]2C1 ZINC000931442975 723566289 /nfs/dbraw/zinc/56/62/89/723566289.db2.gz RFGKMNRQQWWWIP-QLFBSQMISA-N 2 0 277.412 1.315 10 30 CDEERP C=C(C)CNC(=S)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000865244645 1164622902 /nfs/dbraw/zinc/62/29/02/1164622902.db2.gz CPKIMPRPXUXOPU-ZIAGYGMSSA-N 2 0 298.500 1.108 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C[NH+](C)CC(C)(C)C ZINC001634645600 1166525143 /nfs/dbraw/zinc/52/51/43/1166525143.db2.gz CBMCJPXKLPRZQK-UHFFFAOYSA-N 2 0 283.460 1.931 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001635757719 1166618366 /nfs/dbraw/zinc/61/83/66/1166618366.db2.gz JLXYEMMQCLIQGZ-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001317599282 1167460302 /nfs/dbraw/zinc/46/03/02/1167460302.db2.gz RJXHYYMCEFQQJL-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001566124517 1168241538 /nfs/dbraw/zinc/24/15/38/1168241538.db2.gz WHNBFXVYXOHKIW-HOTGVXAUSA-N 2 0 293.455 1.663 10 30 CDEERP C=CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001566699158 1168390886 /nfs/dbraw/zinc/39/08/86/1168390886.db2.gz DUNUMEWPWKTIKW-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001266734931 895942005 /nfs/dbraw/zinc/94/20/05/895942005.db2.gz CXCHCMCYUCBKDZ-QLFBSQMISA-N 2 0 277.412 1.121 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266734895 895942160 /nfs/dbraw/zinc/94/21/60/895942160.db2.gz BTVVQVPFQKGRFI-OKILXGFUSA-N 2 0 267.417 1.530 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001267148184 896919815 /nfs/dbraw/zinc/91/98/15/896919815.db2.gz HZOHJEHRYJJAOG-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)C(C)C ZINC001267257868 897360982 /nfs/dbraw/zinc/36/09/82/897360982.db2.gz YRJDPVXKUZTUFO-MRXNPFEDSA-N 2 0 293.455 1.709 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)CCc1cncn1C ZINC001267463065 897996662 /nfs/dbraw/zinc/99/66/62/897996662.db2.gz QFDIOLGKKSFTBY-UHFFFAOYSA-N 2 0 284.791 1.153 10 30 CDEERP C=CCCC[N@@H+](C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001480951391 898113596 /nfs/dbraw/zinc/11/35/96/898113596.db2.gz ZQOAODQFLROREJ-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001267585413 898565350 /nfs/dbraw/zinc/56/53/50/898565350.db2.gz VJOUCAGUEMOMPN-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001283701296 898904280 /nfs/dbraw/zinc/90/42/80/898904280.db2.gz CBDJKRJCSIYANG-CQSZACIVSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267692945 899300124 /nfs/dbraw/zinc/30/01/24/899300124.db2.gz OSOUERPNCGQAFY-UHFFFAOYSA-N 2 0 281.444 1.588 10 30 CDEERP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001267809512 899784476 /nfs/dbraw/zinc/78/44/76/899784476.db2.gz MTHGRAQARUPDPJ-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001267948151 900023451 /nfs/dbraw/zinc/02/34/51/900023451.db2.gz SYPNRKAMRAPBRW-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001481303074 900274366 /nfs/dbraw/zinc/27/43/66/900274366.db2.gz VAYBHXCXGUIHAZ-LBPRGKRZSA-N 2 0 273.808 1.129 10 30 CDEERP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001481452205 900713090 /nfs/dbraw/zinc/71/30/90/900713090.db2.gz KOGHPAVOTDUBGY-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001268136951 901381603 /nfs/dbraw/zinc/38/16/03/901381603.db2.gz XFHRVJHTFKOPOL-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001481614677 901464634 /nfs/dbraw/zinc/46/46/34/901464634.db2.gz HGYWYLLQWLYMOX-ZFWWWQNUSA-N 2 0 279.428 1.483 10 30 CDEERP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001268258400 901686589 /nfs/dbraw/zinc/68/65/89/901686589.db2.gz BGDGLFWACBQIIY-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481706389 901864143 /nfs/dbraw/zinc/86/41/43/901864143.db2.gz VOQIUVBPWPQAFA-KFWWJZLASA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001481989765 902443521 /nfs/dbraw/zinc/44/35/21/902443521.db2.gz NBWWHTCTGZEITL-OAHLLOKOSA-N 2 0 279.428 1.487 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001268560545 902566876 /nfs/dbraw/zinc/56/68/76/902566876.db2.gz YFOJUJZTTNXLIJ-WAYWQWQTSA-N 2 0 296.374 1.542 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001483765086 914716198 /nfs/dbraw/zinc/71/61/98/914716198.db2.gz JTXOWOLVXMBNJK-CYBMUJFWSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001270187679 904427730 /nfs/dbraw/zinc/42/77/30/904427730.db2.gz JZHNLIUUJBJJDM-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001270421135 904623643 /nfs/dbraw/zinc/62/36/43/904623643.db2.gz AETJUCVVLNMWII-CVEARBPZSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001500357914 904660101 /nfs/dbraw/zinc/66/01/01/904660101.db2.gz IENSWJTVZJRNES-RDJZCZTQSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCOCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001482607118 907880366 /nfs/dbraw/zinc/88/03/66/907880366.db2.gz GJQURUDAJJFSSR-HNNXBMFYSA-N 2 0 297.443 1.064 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001505625400 908091415 /nfs/dbraw/zinc/09/14/15/908091415.db2.gz JRRZQCNJGYAWIQ-KBPBESRZSA-N 2 0 281.444 1.920 10 30 CDEERP C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482945014 908527868 /nfs/dbraw/zinc/52/78/68/908527868.db2.gz WARAGZMEROSSGF-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001507161212 910840793 /nfs/dbraw/zinc/84/07/93/910840793.db2.gz BWZIUKZJSKOSNJ-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001483580428 911291331 /nfs/dbraw/zinc/29/13/31/911291331.db2.gz CJKSTUNAJAEDCU-GJZGRUSLSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001483584280 911294253 /nfs/dbraw/zinc/29/42/53/911294253.db2.gz WLNDLXMQWQFLTC-CVEARBPZSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001483790627 915067537 /nfs/dbraw/zinc/06/75/37/915067537.db2.gz JWQJUGYFBBEWTG-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001484466505 915793223 /nfs/dbraw/zinc/79/32/23/915793223.db2.gz UKRLPYGKSNVISL-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001484615719 915951068 /nfs/dbraw/zinc/95/10/68/915951068.db2.gz DIBRWKQAFXTVMR-HUUCEWRRSA-N 2 0 299.434 1.823 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001485099579 916498508 /nfs/dbraw/zinc/49/85/08/916498508.db2.gz AHCRCWOXASOTJR-YMAMQOFZSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485644642 917156696 /nfs/dbraw/zinc/15/66/96/917156696.db2.gz QXIREVOCNDCSHT-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001485891419 920551530 /nfs/dbraw/zinc/55/15/30/920551530.db2.gz GOCNZSVSTOLFGL-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001486161497 920762029 /nfs/dbraw/zinc/76/20/29/920762029.db2.gz VJTJQQGUTFBPJP-DOTOQJQBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001486183858 920791408 /nfs/dbraw/zinc/79/14/08/920791408.db2.gz NDXACYPUHOLQDD-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001486209969 920822123 /nfs/dbraw/zinc/82/21/23/920822123.db2.gz FZDYHYHAPRMKHT-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001488835019 926731607 /nfs/dbraw/zinc/73/16/07/926731607.db2.gz RHJMLSQIIZIGEB-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275538845 931863287 /nfs/dbraw/zinc/86/32/87/931863287.db2.gz IDBUBOVIHZTWDK-UONOGXRCSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001275827980 932072425 /nfs/dbraw/zinc/07/24/25/932072425.db2.gz QETCCMBLZHJWQT-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001490827065 932748292 /nfs/dbraw/zinc/74/82/92/932748292.db2.gz NJAUEMPSHIQTEI-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C[C@@H]1C[NH2+]C[C@H]1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000925780432 932939622 /nfs/dbraw/zinc/93/96/22/932939622.db2.gz AFBMBBPUGJQJBR-RDTXWAMCSA-N 2 0 298.434 1.720 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000928830490 933182092 /nfs/dbraw/zinc/18/20/92/933182092.db2.gz HOMUVBTWUVXRBD-OAHLLOKOSA-N 2 0 290.411 1.308 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001120597654 937815672 /nfs/dbraw/zinc/81/56/72/937815672.db2.gz UAKPPQOMLMTDKK-RRFJBIMHSA-N 2 0 292.427 1.219 10 30 CDEERP C#CCCC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000796574992 935348021 /nfs/dbraw/zinc/34/80/21/935348021.db2.gz IRFZJYCSLGORMX-UHFFFAOYSA-N 2 0 259.353 1.626 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001276432358 939717439 /nfs/dbraw/zinc/71/74/39/939717439.db2.gz MBJVAVALRXJCIY-ZIAGYGMSSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001280379013 942429217 /nfs/dbraw/zinc/42/92/17/942429217.db2.gz SKAOLHWCIFOWJP-SHTZXODSSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001281450155 942578590 /nfs/dbraw/zinc/57/85/90/942578590.db2.gz IBRNCNVHKCHUFW-GOEBONIOSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001330820597 942580761 /nfs/dbraw/zinc/58/07/61/942580761.db2.gz KDACETNBHXVVDR-RBSFLKMASA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001281476614 942581841 /nfs/dbraw/zinc/58/18/41/942581841.db2.gz WGENHTOQRCBNJX-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001281834056 942623643 /nfs/dbraw/zinc/62/36/43/942623643.db2.gz TVLBILHRQWFKEC-MRXNPFEDSA-N 2 0 293.455 1.520 10 30 CDEERP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001282652902 942735288 /nfs/dbraw/zinc/73/52/88/942735288.db2.gz CIDKUDCVCDCUAA-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001282665535 942737174 /nfs/dbraw/zinc/73/71/74/942737174.db2.gz FVEXKEZJICOIBB-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001277495556 942818102 /nfs/dbraw/zinc/81/81/02/942818102.db2.gz GPDYRYMUUUUPKP-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001283175340 942844619 /nfs/dbraw/zinc/84/46/19/942844619.db2.gz AQHOIAZUJSXIEV-QLFBSQMISA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001283184398 942848435 /nfs/dbraw/zinc/84/84/35/942848435.db2.gz AMIOUGCDOVUMJT-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283556430 942932270 /nfs/dbraw/zinc/93/22/70/942932270.db2.gz LWRYHDLSKZHSFO-CABCVRRESA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001284132859 943086209 /nfs/dbraw/zinc/08/62/09/943086209.db2.gz SGBFGHBPPRFGAV-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001263179559 943777263 /nfs/dbraw/zinc/77/72/63/943777263.db2.gz QDBSQYUBCLCGCO-SCRDCRAPSA-N 2 0 251.374 1.071 10 30 CDEERP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001263820927 943988292 /nfs/dbraw/zinc/98/82/92/943988292.db2.gz JSUJZWSONRDSMI-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001264157419 944091405 /nfs/dbraw/zinc/09/14/05/944091405.db2.gz FYOIWOJNJYZHRM-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265288272 944324825 /nfs/dbraw/zinc/32/48/25/944324825.db2.gz QJJMFBYPHBIGHI-ZDUSSCGKSA-N 2 0 265.401 1.237 10 30 CDEERP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001265654389 944459237 /nfs/dbraw/zinc/45/92/37/944459237.db2.gz TUMFEILDWAACCK-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265702746 944474138 /nfs/dbraw/zinc/47/41/38/944474138.db2.gz HJIYSLFMOUJTCO-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001265794568 944511407 /nfs/dbraw/zinc/51/14/07/944511407.db2.gz QXYLFZJGDIGVHS-ZIAGYGMSSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CC1 ZINC001266171424 944733358 /nfs/dbraw/zinc/73/33/58/944733358.db2.gz ACQYBGQQQJGLJH-KRWDZBQOSA-N 2 0 291.439 1.629 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001568968985 1169568145 /nfs/dbraw/zinc/56/81/45/1169568145.db2.gz GAYJZGXFQAAOCL-AATRIKPKSA-N 2 0 277.412 1.148 10 30 CDEERP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001278405869 947654603 /nfs/dbraw/zinc/65/46/03/947654603.db2.gz QBWPAQRRVMOKRW-MRXNPFEDSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001278503279 948991821 /nfs/dbraw/zinc/99/18/21/948991821.db2.gz AHMQGWPKVJFWMA-KRWDZBQOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001569039192 1169608071 /nfs/dbraw/zinc/60/80/71/1169608071.db2.gz ZUTXLJDPWPIUSO-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001480223324 971635906 /nfs/dbraw/zinc/63/59/06/971635906.db2.gz ACFCARKQTJRAGV-MELADBBJSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001480486733 971751196 /nfs/dbraw/zinc/75/11/96/971751196.db2.gz OMVGGRSTLHSMFP-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001480668204 971831986 /nfs/dbraw/zinc/83/19/86/971831986.db2.gz JTJLHKJQYDGKDH-OAHLLOKOSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCOCC1 ZINC001325036384 953692436 /nfs/dbraw/zinc/69/24/36/953692436.db2.gz CQJFHPRVSCJAJV-UHFFFAOYSA-N 2 0 297.443 1.158 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001493112390 971951990 /nfs/dbraw/zinc/95/19/90/971951990.db2.gz XJSIKBICIGJFPW-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001493151692 971963018 /nfs/dbraw/zinc/96/30/18/971963018.db2.gz PGTHCKFFAKOFJX-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001325679418 954021723 /nfs/dbraw/zinc/02/17/23/954021723.db2.gz ILFHASYAFLYKEE-BZUAXINKSA-N 2 0 293.455 1.636 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001327903579 955108523 /nfs/dbraw/zinc/10/85/23/955108523.db2.gz OSDGWHPNIISXGK-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001328646389 955393066 /nfs/dbraw/zinc/39/30/66/955393066.db2.gz CCOOWJXTSMXZIK-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491883590 955492526 /nfs/dbraw/zinc/49/25/26/955492526.db2.gz WJTHENNWLJMANY-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329102394 955686276 /nfs/dbraw/zinc/68/62/76/955686276.db2.gz DDEOKDMCYKFSLV-QWHCGFSZSA-N 2 0 267.417 1.530 10 30 CDEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001493849782 972124541 /nfs/dbraw/zinc/12/45/41/972124541.db2.gz KFQNBSCCWRVICO-GDBMZVCRSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001329763933 956103735 /nfs/dbraw/zinc/10/37/35/956103735.db2.gz BPDIECFNDVLZLB-HUUCEWRRSA-N 2 0 281.444 1.587 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001494048373 972166702 /nfs/dbraw/zinc/16/67/02/972166702.db2.gz NQISLCFZMNUWKJ-CQSZACIVSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001330961145 956729924 /nfs/dbraw/zinc/72/99/24/956729924.db2.gz ICJRTFGRONINKA-LSDHHAIUSA-N 2 0 281.444 1.470 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001340918447 956760928 /nfs/dbraw/zinc/76/09/28/956760928.db2.gz WDDWDSMAOVLPEU-MELADBBJSA-N 2 0 265.401 1.271 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001317032886 957215953 /nfs/dbraw/zinc/21/59/53/957215953.db2.gz CQVOEMVDAFDUNW-INIZCTEOSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001317679053 957636493 /nfs/dbraw/zinc/63/64/93/957636493.db2.gz VFEPOVLDOZGMPJ-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317933795 957823742 /nfs/dbraw/zinc/82/37/42/957823742.db2.gz IBLXOIDOUGLVGY-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)CC1CC[NH+](C)CC1 ZINC001318580408 958181172 /nfs/dbraw/zinc/18/11/72/958181172.db2.gz CTRNJGXLCMKNQJ-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1 ZINC001333284812 958215292 /nfs/dbraw/zinc/21/52/92/958215292.db2.gz MKZRDUKISOUVKA-UHFFFAOYSA-N 2 0 295.471 1.931 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001319101893 958374878 /nfs/dbraw/zinc/37/48/78/958374878.db2.gz HVKOVXWNSXORJU-HRCADAONSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001319593734 958644755 /nfs/dbraw/zinc/64/47/55/958644755.db2.gz QMKHXYMQPYFHDK-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001494988416 972365012 /nfs/dbraw/zinc/36/50/12/972365012.db2.gz ZDWXPEOQGIBSRZ-ZIAGYGMSSA-N 2 0 267.417 1.530 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001319714565 958699757 /nfs/dbraw/zinc/69/97/57/958699757.db2.gz OHNPHTQAWDGCOA-CABCVRRESA-N 2 0 291.439 1.485 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001495003126 972370531 /nfs/dbraw/zinc/37/05/31/972370531.db2.gz QIYOPGNPPMUZJL-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCC1 ZINC001495205292 972436535 /nfs/dbraw/zinc/43/65/35/972436535.db2.gz ZYAVQFSWVVNJOZ-INIZCTEOSA-N 2 0 289.423 1.124 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001321968951 960038128 /nfs/dbraw/zinc/03/81/28/960038128.db2.gz OTMXUYGTOPAUEN-KBPBESRZSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001322511392 960245385 /nfs/dbraw/zinc/24/53/85/960245385.db2.gz GKPUOEVWQNOWOR-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001419568623 961821308 /nfs/dbraw/zinc/82/13/08/961821308.db2.gz OXUPORNRORAVNS-KBPBESRZSA-N 2 0 299.846 1.519 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001341564879 963465135 /nfs/dbraw/zinc/46/51/35/963465135.db2.gz QFVAMRTXMQLUQN-DCAQKATOSA-N 2 0 293.333 1.266 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001569551570 1169920632 /nfs/dbraw/zinc/92/06/32/1169920632.db2.gz MWGDWWAGMTVQIS-UONOGXRCSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001354645852 968823036 /nfs/dbraw/zinc/82/30/36/968823036.db2.gz UQGCQTLABSKJSJ-WDEREUQCSA-N 2 0 275.343 1.031 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001480624784 970080875 /nfs/dbraw/zinc/08/08/75/970080875.db2.gz UYKZHZJNWKAIGB-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001497595438 973427113 /nfs/dbraw/zinc/42/71/13/973427113.db2.gz DPXXYIZOUQQUIP-KJPDOMRESA-N 2 0 291.439 1.841 10 30 CDEERP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001499012732 974159859 /nfs/dbraw/zinc/15/98/59/974159859.db2.gz LSQLBBJUAQPNLJ-HNNXBMFYSA-N 2 0 291.439 1.772 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001500106463 974374605 /nfs/dbraw/zinc/37/46/05/974374605.db2.gz GARDFASFZOHSLP-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001501081177 974529235 /nfs/dbraw/zinc/52/92/35/974529235.db2.gz ZEMRXWUQZBRFHY-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001501579183 974603034 /nfs/dbraw/zinc/60/30/34/974603034.db2.gz ZGIYDRQPXBHJQB-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001502779368 974783714 /nfs/dbraw/zinc/78/37/14/974783714.db2.gz WNTVDWYLJWXCKM-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001502972645 974807578 /nfs/dbraw/zinc/80/75/78/974807578.db2.gz ZMRSLMYMNSZXJZ-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCCC1 ZINC001506517109 975172403 /nfs/dbraw/zinc/17/24/03/975172403.db2.gz LRCBMOARKQDVKS-UHFFFAOYSA-N 2 0 293.455 1.760 10 30 CDEERP C#CC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001506581484 975182935 /nfs/dbraw/zinc/18/29/35/975182935.db2.gz XWVKUEFLNLCUCH-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001382118882 977174283 /nfs/dbraw/zinc/17/42/83/977174283.db2.gz JEZBLONBRSEWGE-YPMHNXCESA-N 2 0 287.835 1.517 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001674554523 1173962855 /nfs/dbraw/zinc/96/28/55/1173962855.db2.gz JITRJUZQFJLYTP-RUXDESIVSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001674672181 1173985481 /nfs/dbraw/zinc/98/54/81/1173985481.db2.gz DZZKUMBNUVWXLI-CHWSQXEVSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001675263224 1174089573 /nfs/dbraw/zinc/08/95/73/1174089573.db2.gz NRBHYFMVCNJFNY-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001677286182 1174345026 /nfs/dbraw/zinc/34/50/26/1174345026.db2.gz BPIOMCREIIIPJV-OAHLLOKOSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001656175502 1171783041 /nfs/dbraw/zinc/78/30/41/1171783041.db2.gz ACBHWWUQCKYJIP-GASCZTMLSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[C@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000651720798 398165584 /nfs/dbraw/zinc/16/55/84/398165584.db2.gz KXICETWIPGUSPD-UONOGXRCSA-N 2 0 252.402 1.778 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594439594 342906512 /nfs/dbraw/zinc/90/65/12/342906512.db2.gz XPCRMCKMVNNCES-GJZGRUSLSA-N 2 0 292.427 1.484 10 30 CDEERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594439785 342906756 /nfs/dbraw/zinc/90/67/56/342906756.db2.gz ZSVCYMRGBXTVOQ-HUUCEWRRSA-N 2 0 294.443 1.492 10 30 CDEERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000594556747 342915701 /nfs/dbraw/zinc/91/57/01/342915701.db2.gz QNMAOWMZRURJMS-VHDGCEQUSA-N 2 0 286.379 1.014 10 30 CDEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000595060963 343000996 /nfs/dbraw/zinc/00/09/96/343000996.db2.gz JEQLUKBOJFHBNH-XHSDSOJGSA-N 2 0 280.460 1.930 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001661177809 1172347856 /nfs/dbraw/zinc/34/78/56/1172347856.db2.gz NFMICCBQOCLFSI-MRXNPFEDSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001661652631 1172422317 /nfs/dbraw/zinc/42/23/17/1172422317.db2.gz CNMGSYOJJWRDTO-KFWWJZLASA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246623597 376959336 /nfs/dbraw/zinc/95/93/36/376959336.db2.gz BZFSIHJEAHOSDF-SOUVJXGZSA-N 2 0 254.418 1.976 10 30 CDEERP C=CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001663317246 1172671467 /nfs/dbraw/zinc/67/14/67/1172671467.db2.gz DNALNZJMJOQJHF-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[N@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001663644367 1172737480 /nfs/dbraw/zinc/73/74/80/1172737480.db2.gz GHPDEIDUADBRSE-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP C=CC[C@]1(C(=O)NCC[NH+](C(C)C)C(C)C)CCC[NH2+]1 ZINC000662660011 413262642 /nfs/dbraw/zinc/26/26/42/413262642.db2.gz APGVCNFXVVLMPG-MRXNPFEDSA-N 2 0 281.444 1.920 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001664557431 1172867536 /nfs/dbraw/zinc/86/75/36/1172867536.db2.gz CEDJTMINTUXDBH-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000662690638 413317564 /nfs/dbraw/zinc/31/75/64/413317564.db2.gz CGHSXKNHPITEPV-GDBMZVCRSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)CCC[NH2+]1 ZINC000662776068 413480918 /nfs/dbraw/zinc/48/09/18/413480918.db2.gz UGSHGLWSONGVBR-UMVBOHGHSA-N 2 0 265.401 1.271 10 30 CDEERP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662291932 414618306 /nfs/dbraw/zinc/61/83/06/414618306.db2.gz ATGPHWHNLGPFKI-CVEARBPZSA-N 2 0 291.439 1.485 10 30 CDEERP [NH3+]CC#Cc1ccsc1C[N@@H+]1CCCSCC1 ZINC000043684043 175091891 /nfs/dbraw/zinc/09/18/91/175091891.db2.gz NFXCMLYAONIOMA-UHFFFAOYSA-N 2 0 266.435 1.997 10 30 CDEERP N#CCc1ccc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000044514134 175189468 /nfs/dbraw/zinc/18/94/68/175189468.db2.gz UCVONWXLUOVBFL-UHFFFAOYSA-N 2 0 286.379 1.362 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC(C)(C)O1 ZINC000249446304 261253097 /nfs/dbraw/zinc/25/30/97/261253097.db2.gz LDLVWLBCEZCYDS-CHWSQXEVSA-N 2 0 282.432 1.333 10 30 CDEERP C[C@H]1CCC[C@](CNC(=[NH2+])NC2CC2)([NH+](C)C)C1 ZINC000120486603 263283159 /nfs/dbraw/zinc/28/31/59/263283159.db2.gz WZEMKBQIVAWERO-FZMZJTMJSA-N 2 0 252.406 1.564 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)CCC[NH2+]1 ZINC000662748700 424399857 /nfs/dbraw/zinc/39/98/57/424399857.db2.gz ZMYQVKZSMKQBBO-RDJZCZTQSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001667493206 1173275780 /nfs/dbraw/zinc/27/57/80/1173275780.db2.gz GZUDGUUFGNCUKW-OAHLLOKOSA-N 2 0 295.471 1.718 10 30 CDEERP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001671648425 1173699278 /nfs/dbraw/zinc/69/92/78/1173699278.db2.gz HHTJWKZXBSLFLP-GOEBONIOSA-N 2 0 297.418 1.270 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001671775382 1173710629 /nfs/dbraw/zinc/71/06/29/1173710629.db2.gz RMEDNKAAUZMLHZ-INIZCTEOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001672857958 1173805583 /nfs/dbraw/zinc/80/55/83/1173805583.db2.gz HGHADYVLYICXAL-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001673928570 1173899196 /nfs/dbraw/zinc/89/91/96/1173899196.db2.gz JFXFQUXVZKIYKJ-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001725118169 1159123252 /nfs/dbraw/zinc/12/32/52/1159123252.db2.gz JSZQMVXIQLMSTK-KGLIPLIRSA-N 2 0 281.444 1.776 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001731640136 1159319111 /nfs/dbraw/zinc/31/91/11/1159319111.db2.gz LJPDRGUAEJCDDH-ZIAGYGMSSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001671648377 1159761256 /nfs/dbraw/zinc/76/12/56/1159761256.db2.gz GSCRVLQRLGBNEE-ZBFHGGJFSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C(C)C ZINC001271844153 1160365702 /nfs/dbraw/zinc/36/57/02/1160365702.db2.gz FBRPQUFACGVWDV-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP CC(C)N[C@H](C#N)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000062436818 519738168 /nfs/dbraw/zinc/73/81/68/519738168.db2.gz KDKZNOUKEXUNDA-HNNXBMFYSA-N 2 0 266.433 1.540 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001483592230 1160953831 /nfs/dbraw/zinc/95/38/31/1160953831.db2.gz LDSQDXJKKMNRDU-JKSUJKDBSA-N 2 0 291.439 1.367 10 30 CDEERP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717497662 1180710542 /nfs/dbraw/zinc/71/05/42/1180710542.db2.gz HJGXSHFKXUUMSH-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923427163 618331898 /nfs/dbraw/zinc/33/18/98/618331898.db2.gz HWRPBWIRZFJBDM-HUUCEWRRSA-N 2 0 252.402 1.779 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000907906700 627896866 /nfs/dbraw/zinc/89/68/66/627896866.db2.gz NCDZPLYSWZZHSA-UHFFFAOYSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CC)[C@H]1CC[N@H+](CC)C1 ZINC000912400982 629987459 /nfs/dbraw/zinc/98/74/59/629987459.db2.gz PZKJAMPIWPNABR-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001772514630 1158535373 /nfs/dbraw/zinc/53/53/73/1158535373.db2.gz NDCQQKVNBQXBTM-OAHLLOKOSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001691023722 1158538918 /nfs/dbraw/zinc/53/89/18/1158538918.db2.gz OZTMNAAQBVSTEC-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001671303477 1158665378 /nfs/dbraw/zinc/66/53/78/1158665378.db2.gz HWUCHMCUMZKDEW-LSDHHAIUSA-N 2 0 297.418 1.270 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001671303476 1158665646 /nfs/dbraw/zinc/66/56/46/1158665646.db2.gz HWUCHMCUMZKDEW-GJZGRUSLSA-N 2 0 297.418 1.270 10 30 CDEERP CC[NH2+]Cc1ccccc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852792893 695246147 /nfs/dbraw/zinc/24/61/47/695246147.db2.gz HPRMIZGKXNFGRL-UHFFFAOYSA-N 2 0 285.391 1.738 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000876754349 695423426 /nfs/dbraw/zinc/42/34/26/695423426.db2.gz MYSGYSALFGEGPY-NWDGAFQWSA-N 2 0 271.792 1.057 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876753969 695617621 /nfs/dbraw/zinc/61/76/21/695617621.db2.gz AFBKAGQNGBDRKO-CHWSQXEVSA-N 2 0 265.401 1.126 10 30 CDEERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCNc2ccc(C#N)cn2)C1 ZINC000925893190 695834014 /nfs/dbraw/zinc/83/40/14/695834014.db2.gz MOSNOTZABSUYTA-UONOGXRCSA-N 2 0 287.411 1.861 10 30 CDEERP C=C(C)C[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925609175 695873782 /nfs/dbraw/zinc/87/37/82/695873782.db2.gz PUIWXYULEWRGLV-CABCVRRESA-N 2 0 263.429 1.886 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000852863586 696087225 /nfs/dbraw/zinc/08/72/25/696087225.db2.gz WZCWBCWTBGWLRB-INIZCTEOSA-N 2 0 289.423 1.076 10 30 CDEERP C#CC[C@@H]1CCC[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000829815009 696097298 /nfs/dbraw/zinc/09/72/98/696097298.db2.gz DNZJHMINWGLNMV-HIFRSBDPSA-N 2 0 250.386 1.177 10 30 CDEERP Cc1cc(C[NH3+])cc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852894859 696119651 /nfs/dbraw/zinc/11/96/51/696119651.db2.gz ZCVJVPVKKWPPLF-UHFFFAOYSA-N 2 0 271.364 1.395 10 30 CDEERP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001691097606 1158907532 /nfs/dbraw/zinc/90/75/32/1158907532.db2.gz ORLKNDGTAFMFAS-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001502796849 1160355019 /nfs/dbraw/zinc/35/50/19/1160355019.db2.gz ABPZBAUCDZXUHE-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000876717513 1165898460 /nfs/dbraw/zinc/89/84/60/1165898460.db2.gz CKQYKGXCRIXWRN-RYUDHWBXSA-N 2 0 273.808 1.399 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000876713598 1165899279 /nfs/dbraw/zinc/89/92/79/1165899279.db2.gz RMHYSZUOJNVARD-OLZOCXBDSA-N 2 0 287.835 1.837 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001566943064 1168475599 /nfs/dbraw/zinc/47/55/99/1168475599.db2.gz YCFGWLAUHHOAQP-HNNXBMFYSA-N 2 0 289.423 1.219 10 30 CDEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001569308329 1169757124 /nfs/dbraw/zinc/75/71/24/1169757124.db2.gz ZMKAPIQOZUBVMT-CVEARBPZSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001569308332 1169757825 /nfs/dbraw/zinc/75/78/25/1169757825.db2.gz ZMKAPIQOZUBVMT-JKSUJKDBSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001570863544 1170305473 /nfs/dbraw/zinc/30/54/73/1170305473.db2.gz HBMPFHFGDTWRGC-ZDUSSCGKSA-N 2 0 267.417 1.339 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001571541989 1170468852 /nfs/dbraw/zinc/46/88/52/1170468852.db2.gz IQAHVUISZCGWMP-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001656994451 1171912167 /nfs/dbraw/zinc/91/21/67/1171912167.db2.gz ORKTXIPFLLQBRS-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001661072647 1172331879 /nfs/dbraw/zinc/33/18/79/1172331879.db2.gz BJLSKSYPCYPKPJ-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001661143660 1172342614 /nfs/dbraw/zinc/34/26/14/1172342614.db2.gz ZEBKEBNXEIAFQW-MRXNPFEDSA-N 2 0 296.374 1.374 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001662304507 1172524091 /nfs/dbraw/zinc/52/40/91/1172524091.db2.gz YECNRRKDSVDVBM-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001662303035 1172524414 /nfs/dbraw/zinc/52/44/14/1172524414.db2.gz HQCXXZQPNZKHND-DOTOQJQBSA-N 2 0 299.418 1.227 10 30 CDEERP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001663257726 1172662213 /nfs/dbraw/zinc/66/22/13/1172662213.db2.gz DTUXQRIKFJYGKS-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001664281820 1172835316 /nfs/dbraw/zinc/83/53/16/1172835316.db2.gz FJXBSPAIAUUAQV-UHFFFAOYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@H+]1CC[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001664722245 1172897137 /nfs/dbraw/zinc/89/71/37/1172897137.db2.gz RLUIFLSDYGQLSW-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC001665951316 1173090105 /nfs/dbraw/zinc/09/01/05/1173090105.db2.gz FNNRDLPQMDGJKE-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001671648421 1173700655 /nfs/dbraw/zinc/70/06/55/1173700655.db2.gz HHTJWKZXBSLFLP-GDBMZVCRSA-N 2 0 297.418 1.270 10 30 CDEERP C=CCCC[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001674551537 1173962509 /nfs/dbraw/zinc/96/25/09/1173962509.db2.gz SGZWMIBAGXMWOQ-UHFFFAOYSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001691942120 1175654031 /nfs/dbraw/zinc/65/40/31/1175654031.db2.gz NTCGZKZCICUKOR-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001698574199 1175851854 /nfs/dbraw/zinc/85/18/54/1175851854.db2.gz FRLJVKZPUQLSHD-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001698597385 1175864497 /nfs/dbraw/zinc/86/44/97/1175864497.db2.gz QCSGPIGHLPGMGV-LSDHHAIUSA-N 2 0 279.428 1.367 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001698617704 1175873940 /nfs/dbraw/zinc/87/39/40/1175873940.db2.gz GDRODTKGFIPRDN-ZIAGYGMSSA-N 2 0 267.417 1.080 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001698620645 1175874565 /nfs/dbraw/zinc/87/45/65/1175874565.db2.gz HHTSKXLYTNACHY-GJZGRUSLSA-N 2 0 281.444 1.920 10 30 CDEERP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001698703258 1175898717 /nfs/dbraw/zinc/89/87/17/1175898717.db2.gz XEGXLJQBMNSQQQ-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001698927535 1175987377 /nfs/dbraw/zinc/98/73/77/1175987377.db2.gz FRYGBZOODVJVHQ-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001699323452 1176222578 /nfs/dbraw/zinc/22/25/78/1176222578.db2.gz DLOYQWFQYUOEHX-PLNGDYQASA-N 2 0 265.401 1.166 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001699844641 1176653022 /nfs/dbraw/zinc/65/30/22/1176653022.db2.gz BCQBBSPHDMSIPS-OAHLLOKOSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001699944136 1176691429 /nfs/dbraw/zinc/69/14/29/1176691429.db2.gz KUVRPXYSHNKSNC-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001700157215 1176775821 /nfs/dbraw/zinc/77/58/21/1176775821.db2.gz QXXFCHPUBHGNNG-CABCVRRESA-N 2 0 291.439 1.818 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001700319494 1176848823 /nfs/dbraw/zinc/84/88/23/1176848823.db2.gz AUVLPFFNQUNAGO-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)CC[NH+]1CCCCC1)C(C)C ZINC001700714603 1177088221 /nfs/dbraw/zinc/08/82/21/1177088221.db2.gz KOXHJMVORUEGNU-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001700753437 1177115105 /nfs/dbraw/zinc/11/51/05/1177115105.db2.gz XQRHCOWGOKBTKK-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001713012564 1178302911 /nfs/dbraw/zinc/30/29/11/1178302911.db2.gz PWGKXHFKFYIYGR-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713391616 1178535791 /nfs/dbraw/zinc/53/57/91/1178535791.db2.gz HKBGDTQOQUSHNM-OWCLPIDISA-N 2 0 291.439 1.273 10 30 CDEERP CC#CC[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001713541292 1178634276 /nfs/dbraw/zinc/63/42/76/1178634276.db2.gz KBJSBTOPGKGQHK-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[N@H+](CCC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713548564 1178639870 /nfs/dbraw/zinc/63/98/70/1178639870.db2.gz MQULYNMBXROTAV-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[NH+](C)CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001713767085 1178743530 /nfs/dbraw/zinc/74/35/30/1178743530.db2.gz YHKMIPJCWOWPPL-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001714563367 1179219242 /nfs/dbraw/zinc/21/92/42/1179219242.db2.gz GDFMFFQIOPXMBC-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001714583489 1179240078 /nfs/dbraw/zinc/24/00/78/1179240078.db2.gz ALIXJVXBFROJMS-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001714584964 1179243874 /nfs/dbraw/zinc/24/38/74/1179243874.db2.gz JUZPDGOOQLAIRH-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001714656357 1179304293 /nfs/dbraw/zinc/30/42/93/1179304293.db2.gz JXJDIJNETADIKC-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001714868460 1179428823 /nfs/dbraw/zinc/42/88/23/1179428823.db2.gz WAPSIGJOBKWNJF-BZUAXINKSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001714906643 1179446935 /nfs/dbraw/zinc/44/69/35/1179446935.db2.gz UMFYOPFBDVCGKA-HOTGVXAUSA-N 2 0 291.439 1.132 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001714978879 1179488006 /nfs/dbraw/zinc/48/80/06/1179488006.db2.gz OMTRKQNTWCYONC-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001715241778 1179594124 /nfs/dbraw/zinc/59/41/24/1179594124.db2.gz XFVFJJWFFNZDPX-ZDUSSCGKSA-N 2 0 298.390 1.622 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001715319073 1179620818 /nfs/dbraw/zinc/62/08/18/1179620818.db2.gz FUZMPHKNYASEDE-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001715476772 1179676109 /nfs/dbraw/zinc/67/61/09/1179676109.db2.gz QPXVXORTXOXROB-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001715504239 1179685690 /nfs/dbraw/zinc/68/56/90/1179685690.db2.gz OHGBZZGHGGKISJ-HUUCEWRRSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715682282 1179763147 /nfs/dbraw/zinc/76/31/47/1179763147.db2.gz JUPCUYJQYYUHNO-WCQYABFASA-N 2 0 287.835 1.565 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)C[NH+]1CCCC1 ZINC001715773858 1179800147 /nfs/dbraw/zinc/80/01/47/1179800147.db2.gz ODFISSPLSXFRBM-UHFFFAOYSA-N 2 0 253.390 1.096 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001716028624 1180003020 /nfs/dbraw/zinc/00/30/20/1180003020.db2.gz ZBIOMVVZXYXGKF-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001716030226 1180005982 /nfs/dbraw/zinc/00/59/82/1180005982.db2.gz NUDYMRPPEJUPGV-UONOGXRCSA-N 2 0 267.417 1.482 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001716223828 1180109998 /nfs/dbraw/zinc/10/99/98/1180109998.db2.gz FSKMWNLJEDNESG-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001716244211 1180116613 /nfs/dbraw/zinc/11/66/13/1180116613.db2.gz QPYDCDKUNAHEPY-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001716244583 1180117632 /nfs/dbraw/zinc/11/76/32/1180117632.db2.gz ZDMWGZGXQHYIQD-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001716446562 1180213761 /nfs/dbraw/zinc/21/37/61/1180213761.db2.gz CLYQHGBVMIGQMB-AWEZNQCLSA-N 2 0 289.423 1.685 10 30 CDEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001716901664 1180458018 /nfs/dbraw/zinc/45/80/18/1180458018.db2.gz NDZMOYBCZVLKFZ-GOEBONIOSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001716987637 1180492863 /nfs/dbraw/zinc/49/28/63/1180492863.db2.gz MYJJTORTSFBJFI-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001717098739 1180530423 /nfs/dbraw/zinc/53/04/23/1180530423.db2.gz HSFZXFFCOKOPRI-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001717105589 1180531436 /nfs/dbraw/zinc/53/14/36/1180531436.db2.gz WVQNNQRSZGAQES-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCC1 ZINC001717160567 1180554580 /nfs/dbraw/zinc/55/45/80/1180554580.db2.gz XFWRQCCGRQRWEQ-UHFFFAOYSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717297531 1180609064 /nfs/dbraw/zinc/60/90/64/1180609064.db2.gz YBIPDENOHBNEPG-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001717370078 1180634118 /nfs/dbraw/zinc/63/41/18/1180634118.db2.gz RYAMYOKQMOQJPE-HUUCEWRRSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001717649541 1180773939 /nfs/dbraw/zinc/77/39/39/1180773939.db2.gz ORFZGWFFPXRRMK-JYJNAYRXSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001717839934 1180889699 /nfs/dbraw/zinc/88/96/99/1180889699.db2.gz DVEWAYFEVXFZKW-ZBFHGGJFSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001723939164 1181624965 /nfs/dbraw/zinc/62/49/65/1181624965.db2.gz CMFJPDLIGGSTTJ-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001724963979 1181808840 /nfs/dbraw/zinc/80/88/40/1181808840.db2.gz XZQJWPCRNFMTCU-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001725056990 1181837344 /nfs/dbraw/zinc/83/73/44/1181837344.db2.gz IFIKWPRDDXBXKM-CVEARBPZSA-N 2 0 291.439 1.132 10 30 CDEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001725391183 1181986683 /nfs/dbraw/zinc/98/66/83/1181986683.db2.gz DELXEJKUYGRKKF-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001725573574 1182055330 /nfs/dbraw/zinc/05/53/30/1182055330.db2.gz GOOBAWDPEWDZQH-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001725612530 1182072103 /nfs/dbraw/zinc/07/21/03/1182072103.db2.gz XWJQSYGLVGJBLZ-WMLDXEAASA-N 2 0 291.439 1.627 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001725661946 1182090372 /nfs/dbraw/zinc/09/03/72/1182090372.db2.gz HRWKOKVDQNJWAZ-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)C[NH+](C)C(C)C)C(C)C ZINC001725734086 1182115268 /nfs/dbraw/zinc/11/52/68/1182115268.db2.gz XFESJNITPLZLOR-UHFFFAOYSA-N 2 0 281.444 1.519 10 30 CDEERP C#CC[NH+]1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001725770756 1182125462 /nfs/dbraw/zinc/12/54/62/1182125462.db2.gz YUTJETMSTKFKAF-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001731397677 1182359288 /nfs/dbraw/zinc/35/92/88/1182359288.db2.gz URRIAVNHWSIIHE-UONOGXRCSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001731435239 1182382098 /nfs/dbraw/zinc/38/20/98/1182382098.db2.gz MYXPLZQOGUMRLI-KKUMJFAQSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001731543869 1182443721 /nfs/dbraw/zinc/44/37/21/1182443721.db2.gz VBLKEZCRUTZWCH-AWEZNQCLSA-N 2 0 265.401 1.239 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001731663208 1182508846 /nfs/dbraw/zinc/50/88/46/1182508846.db2.gz LCWIZIUXICDMTK-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001732003210 1182720576 /nfs/dbraw/zinc/72/05/76/1182720576.db2.gz YULYRIPKIXLUPB-GOEBONIOSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001732267430 1182889441 /nfs/dbraw/zinc/88/94/41/1182889441.db2.gz OSDDBJTURKTRKL-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732700693 1183092685 /nfs/dbraw/zinc/09/26/85/1183092685.db2.gz DPKOKVVHXSVSIY-LBPRGKRZSA-N 2 0 287.835 1.708 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001732999581 1183230417 /nfs/dbraw/zinc/23/04/17/1183230417.db2.gz VYJPGMGTYGWREK-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1CC ZINC001733200736 1183328399 /nfs/dbraw/zinc/32/83/99/1183328399.db2.gz QLPRGBCYKPKUDJ-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001733287787 1183380238 /nfs/dbraw/zinc/38/02/38/1183380238.db2.gz HSWHAOVTCAGLCN-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001733413734 1183425815 /nfs/dbraw/zinc/42/58/15/1183425815.db2.gz QXAMADLXXVUFKJ-MRXNPFEDSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001733931144 1183573171 /nfs/dbraw/zinc/57/31/71/1183573171.db2.gz WMKCVCVUUBKKQQ-JKSUJKDBSA-N 2 0 291.439 1.437 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733988299 1183603797 /nfs/dbraw/zinc/60/37/97/1183603797.db2.gz YCZSSTVWDXJJKQ-KGLIPLIRSA-N 2 0 281.444 1.920 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001734066169 1183645743 /nfs/dbraw/zinc/64/57/43/1183645743.db2.gz SYWAIUHWOIYOQW-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001734084199 1183650830 /nfs/dbraw/zinc/65/08/30/1183650830.db2.gz YJYIIAMJTTWPGH-CVEARBPZSA-N 2 0 293.455 1.424 10 30 CDEERP CC#CC[NH2+]C[C@H](CCCC)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001734098543 1183657354 /nfs/dbraw/zinc/65/73/54/1183657354.db2.gz YIMXXGIBIRVUSW-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001734118467 1183665402 /nfs/dbraw/zinc/66/54/02/1183665402.db2.gz YCDXYBZKTFUJQI-CQSZACIVSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001734147150 1183675532 /nfs/dbraw/zinc/67/55/32/1183675532.db2.gz ZOLSOTHAKXGDCI-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001734298878 1183719596 /nfs/dbraw/zinc/71/95/96/1183719596.db2.gz QIKIFUUUEYWIOX-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001734451091 1183782150 /nfs/dbraw/zinc/78/21/50/1183782150.db2.gz VGPOPWOZTIMWNP-HRCADAONSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[N@@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001734549418 1183820843 /nfs/dbraw/zinc/82/08/43/1183820843.db2.gz KBGJRXXWGCPZOV-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP C#C[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847021750 724391589 /nfs/dbraw/zinc/39/15/89/724391589.db2.gz OMDZRBRCHKMENS-QZTJIDSGSA-N 2 0 288.435 1.693 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000877159814 723695776 /nfs/dbraw/zinc/69/57/76/723695776.db2.gz MCJXJBXLTLOVOB-UONOGXRCSA-N 2 0 295.814 1.533 10 30 CDEERP C=CCC(C)(C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018333 723710389 /nfs/dbraw/zinc/71/03/89/723710389.db2.gz OGSTVLWRJXGJMI-HUUCEWRRSA-N 2 0 295.471 1.787 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)NCC[NH2+]C1CCCCCC1 ZINC000852799440 723824335 /nfs/dbraw/zinc/82/43/35/723824335.db2.gz SUKRSOXWRBUATI-UHFFFAOYSA-N 2 0 291.439 1.418 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000876733176 724039935 /nfs/dbraw/zinc/03/99/35/724039935.db2.gz QTYSUGFJLCMAQG-KGLIPLIRSA-N 2 0 299.846 1.933 10 30 CDEERP C[NH+]1CCC(CNC(=[NH2+])NCCc2cccs2)CC1 ZINC000303869635 725542578 /nfs/dbraw/zinc/54/25/78/725542578.db2.gz FAXVEJAOMWOOAR-UHFFFAOYSA-N 2 0 280.441 1.537 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000876522999 723841348 /nfs/dbraw/zinc/84/13/48/723841348.db2.gz HYZRQJQRKZDWLL-MWLCHTKSSA-N 2 0 259.781 1.042 10 30 CDEERP C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000923388513 724091948 /nfs/dbraw/zinc/09/19/48/724091948.db2.gz RHRUOVVHMQKLCS-QXSJWSMHSA-N 2 0 282.428 1.674 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCC[NH2+]1 ZINC000852871764 725201517 /nfs/dbraw/zinc/20/15/17/725201517.db2.gz WJDBHFBHBOKLBK-SQWLQELKSA-N 2 0 279.428 1.674 10 30 CDEERP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000303907269 725393148 /nfs/dbraw/zinc/39/31/48/725393148.db2.gz WUEHHMCYQAMDNU-NSHDSACASA-N 2 0 266.414 1.147 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000876756100 725395884 /nfs/dbraw/zinc/39/58/84/725395884.db2.gz ZKADIPZGOKFSRI-QWHCGFSZSA-N 2 0 285.819 1.543 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000876850869 725517319 /nfs/dbraw/zinc/51/73/19/725517319.db2.gz DFMJELYDVIZUMS-AAEUAGOBSA-N 2 0 271.792 1.058 10 30 CDEERP C[C@H]1C[NH+](CCCNC(=[NH2+])NC2CCCCC2)C[C@H](C)O1 ZINC000303788881 725557303 /nfs/dbraw/zinc/55/73/03/725557303.db2.gz UVVHOHAHFSPPNC-KBPBESRZSA-N 2 0 296.459 1.723 10 30 CDEERP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000303772946 726006966 /nfs/dbraw/zinc/00/69/66/726006966.db2.gz DXEWHSCGADEAEA-OAHLLOKOSA-N 2 0 296.459 1.580 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001570440139 1167574682 /nfs/dbraw/zinc/57/46/82/1167574682.db2.gz IOOABDXSMQDXIZ-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001566814027 1168037631 /nfs/dbraw/zinc/03/76/31/1168037631.db2.gz VQCHOYJWPBJLNB-KBUPBQIOSA-N 2 0 277.412 1.119 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001566109574 1168238509 /nfs/dbraw/zinc/23/85/09/1168238509.db2.gz RGGXSCWCWBZFDO-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566910508 1168463292 /nfs/dbraw/zinc/46/32/92/1168463292.db2.gz UUJWLSGOOXETQI-CABCVRRESA-N 2 0 279.428 1.034 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001567411881 1168744317 /nfs/dbraw/zinc/74/43/17/1168744317.db2.gz QUBMESNZJACMQX-HUUCEWRRSA-N 2 0 279.428 1.034 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001567433143 1168756567 /nfs/dbraw/zinc/75/65/67/1168756567.db2.gz UKHSQLFNCKQKFY-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266534886 895262161 /nfs/dbraw/zinc/26/21/61/895262161.db2.gz OWSTXUXHXMRCSC-HNNXBMFYSA-N 2 0 291.439 1.629 10 30 CDEERP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001267113061 896826572 /nfs/dbraw/zinc/82/65/72/896826572.db2.gz CMNKECXJNTVEID-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001267201367 897135057 /nfs/dbraw/zinc/13/50/57/897135057.db2.gz MWTSGPDETOEABG-HOCLYGCPSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001267252562 897343532 /nfs/dbraw/zinc/34/35/32/897343532.db2.gz TYJQLJZLBMCSTD-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001267268956 897418925 /nfs/dbraw/zinc/41/89/25/897418925.db2.gz IUFURPQFPMODEP-CYBMUJFWSA-N 2 0 265.401 1.237 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001481012044 898493225 /nfs/dbraw/zinc/49/32/25/898493225.db2.gz SKZOZBNTTXAMKV-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccnc1 ZINC001481073334 898737053 /nfs/dbraw/zinc/73/70/53/898737053.db2.gz KJAZUGQLMFZPOU-AWEZNQCLSA-N 2 0 276.384 1.430 10 30 CDEERP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001481425365 900626390 /nfs/dbraw/zinc/62/63/90/900626390.db2.gz WFLOWDUKBWHSNN-KBPBESRZSA-N 2 0 299.846 1.661 10 30 CDEERP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001481436972 900662200 /nfs/dbraw/zinc/66/22/00/900662200.db2.gz BPLKSDQILKMMQZ-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001481503145 900948338 /nfs/dbraw/zinc/94/83/38/900948338.db2.gz DGZOYCCUPVSOPO-HNNXBMFYSA-N 2 0 279.428 1.132 10 30 CDEERP C#CCC[N@@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001481521191 901048216 /nfs/dbraw/zinc/04/82/16/901048216.db2.gz UHWJBPCAUKXZLM-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001567730300 1168940237 /nfs/dbraw/zinc/94/02/37/1168940237.db2.gz YUUGFVDOISYODE-OWCLPIDISA-N 2 0 293.455 1.683 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1ccnc1C ZINC001268099939 901286702 /nfs/dbraw/zinc/28/67/02/901286702.db2.gz JEYXOMZVYQTEMH-ZIAGYGMSSA-N 2 0 292.427 1.983 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001481880844 902257972 /nfs/dbraw/zinc/25/79/72/902257972.db2.gz HSQKZEIDEKUFAP-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001481910339 902303488 /nfs/dbraw/zinc/30/34/88/902303488.db2.gz KANONAOZJNNSQN-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001268551496 902551400 /nfs/dbraw/zinc/55/14/00/902551400.db2.gz GIDLONJYDIISOA-DANTVBBOSA-N 2 0 267.417 1.411 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482066693 902598150 /nfs/dbraw/zinc/59/81/50/902598150.db2.gz FOJXQMMJSOBLRJ-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268584613 902675394 /nfs/dbraw/zinc/67/53/94/902675394.db2.gz YYODMKJIQKBVBG-FLELRFNZSA-N 2 0 293.455 1.945 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001482156922 902776574 /nfs/dbraw/zinc/77/65/74/902776574.db2.gz DBOKYKFXKKMRPW-CQSZACIVSA-N 2 0 293.455 1.636 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001482299645 904778647 /nfs/dbraw/zinc/77/86/47/904778647.db2.gz NUIVFSGFWXJQQQ-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001270650593 904884549 /nfs/dbraw/zinc/88/45/49/904884549.db2.gz WUJYCUHOAMEZQB-ZBFHGGJFSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001482353236 905174847 /nfs/dbraw/zinc/17/48/47/905174847.db2.gz FZTJDWISUVBPJX-OLZOCXBDSA-N 2 0 255.406 1.339 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483036286 908743382 /nfs/dbraw/zinc/74/33/82/908743382.db2.gz FIUJEFPRFJRAAS-FPLPWBNLSA-N 2 0 291.439 1.536 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001483076515 909288594 /nfs/dbraw/zinc/28/85/94/909288594.db2.gz UAYAJTULOOUQJN-AATRIKPKSA-N 2 0 277.412 1.002 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001483443236 911124678 /nfs/dbraw/zinc/12/46/78/911124678.db2.gz KDTQNYPXWWOXRY-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001483783773 915060901 /nfs/dbraw/zinc/06/09/01/915060901.db2.gz LFLQUSZVEOAMJU-LBPRGKRZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001484978241 916354879 /nfs/dbraw/zinc/35/48/79/916354879.db2.gz AJBICSDPGACISM-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001485001413 916366827 /nfs/dbraw/zinc/36/68/27/916366827.db2.gz ISNFEFPJUQZWIQ-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001485032346 916404297 /nfs/dbraw/zinc/40/42/97/916404297.db2.gz UJTGFWUPMAMMRO-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001485458857 916991344 /nfs/dbraw/zinc/99/13/44/916991344.db2.gz HBAHKXDFDQNCIG-UHFFFAOYSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485739288 917234000 /nfs/dbraw/zinc/23/40/00/917234000.db2.gz PJZBOQAVLGRYPE-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001486400280 920989197 /nfs/dbraw/zinc/98/91/97/920989197.db2.gz UWCDRFSMCOAOLQ-RBSFLKMASA-N 2 0 293.455 1.470 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491047753 936846164 /nfs/dbraw/zinc/84/61/64/936846164.db2.gz KZIJZWCJXNANHA-SOUVJXGZSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001491153607 936865990 /nfs/dbraw/zinc/86/59/90/936865990.db2.gz XENWXFHGZFRUPR-OWCLPIDISA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001491220668 936879074 /nfs/dbraw/zinc/87/90/74/936879074.db2.gz HKJPQWBNNHXQMX-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001491237847 936880977 /nfs/dbraw/zinc/88/09/77/936880977.db2.gz XOCYDCLWDBGPFF-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001649464950 1169267241 /nfs/dbraw/zinc/26/72/41/1169267241.db2.gz ATFDVXKDUVRQQD-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001273202168 924591403 /nfs/dbraw/zinc/59/14/03/924591403.db2.gz QXTAAHRLTWNATA-GJZGRUSLSA-N 2 0 291.439 1.511 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC001568490147 1169325937 /nfs/dbraw/zinc/32/59/37/1169325937.db2.gz FTPIUENJTMTXKC-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001274297883 931489151 /nfs/dbraw/zinc/48/91/51/931489151.db2.gz KQPSQDSBBXYHIN-YVACAVLKSA-N 2 0 279.428 1.556 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@]12CC[N@H+](C1)CCC2 ZINC001123922049 936246760 /nfs/dbraw/zinc/24/67/60/936246760.db2.gz SANWPZDTZPRGKT-OAHLLOKOSA-N 2 0 265.401 1.096 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001568678054 1169426603 /nfs/dbraw/zinc/42/66/03/1169426603.db2.gz KBUXCRSSHZCLQI-CYBMUJFWSA-N 2 0 267.417 1.082 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001277101681 941955198 /nfs/dbraw/zinc/95/51/98/941955198.db2.gz IWSHUFPQGZLSKC-HNNXBMFYSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001281957666 942636789 /nfs/dbraw/zinc/63/67/89/942636789.db2.gz SZDJXVVKGDOBHU-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001282002688 942643520 /nfs/dbraw/zinc/64/35/20/942643520.db2.gz PDDOBGDEHKUPDR-BCLQGDPASA-N 2 0 291.439 1.389 10 30 CDEERP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001282400404 942706597 /nfs/dbraw/zinc/70/65/97/942706597.db2.gz YHPTXGZJAQRTII-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001282648431 942735266 /nfs/dbraw/zinc/73/52/66/942735266.db2.gz WCDWXFNOULDHNX-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001282742062 942747926 /nfs/dbraw/zinc/74/79/26/942747926.db2.gz SKFSCCUARIEPNA-HNNXBMFYSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001283238035 942864183 /nfs/dbraw/zinc/86/41/83/942864183.db2.gz GBIWERWWANCGST-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001284153475 943091934 /nfs/dbraw/zinc/09/19/34/943091934.db2.gz KZFFPGJOMHEDEB-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001284639525 943231761 /nfs/dbraw/zinc/23/17/61/943231761.db2.gz AQFZSCBYWWDHDU-OLZOCXBDSA-N 2 0 267.417 1.080 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001277755966 943480251 /nfs/dbraw/zinc/48/02/51/943480251.db2.gz LBOCJLWADKVFIX-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001263850546 944002084 /nfs/dbraw/zinc/00/20/84/944002084.db2.gz RMZDOQPPJWAMGO-IYBDPMFKSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001265365692 944360229 /nfs/dbraw/zinc/36/02/29/944360229.db2.gz DHBXJRQTQHEDQY-HOTGVXAUSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001265395333 944373541 /nfs/dbraw/zinc/37/35/41/944373541.db2.gz UOWVJTXSMGETCX-INIZCTEOSA-N 2 0 293.455 1.522 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265982641 944614141 /nfs/dbraw/zinc/61/41/41/944614141.db2.gz IVNVBAZVYNEAOI-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001266120073 944686444 /nfs/dbraw/zinc/68/64/44/944686444.db2.gz SEQOFRVZNIWBDG-CQSZACIVSA-N 2 0 267.417 1.435 10 30 CDEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266116341 944691093 /nfs/dbraw/zinc/69/10/93/944691093.db2.gz JQCSQSLXMGXKAI-HZPDHXFCSA-N 2 0 293.455 1.519 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001266145214 944713003 /nfs/dbraw/zinc/71/30/03/944713003.db2.gz NFWWDLHMWUHLGK-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266144512 944713558 /nfs/dbraw/zinc/71/35/58/944713558.db2.gz UBASNSBTJWWINO-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001568851166 1169518353 /nfs/dbraw/zinc/51/83/53/1169518353.db2.gz YLIMDPPSKQOYSA-XHPSBEMXSA-N 2 0 279.428 1.697 10 30 CDEERP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CC)CC1 ZINC001278183847 945049356 /nfs/dbraw/zinc/04/93/56/945049356.db2.gz DAYMLKMLMDCGFP-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[N@@H+](C)CCN(C(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001278918402 948224695 /nfs/dbraw/zinc/22/46/95/948224695.db2.gz QMBTVUVFNAKEMM-HNNXBMFYSA-N 2 0 281.444 1.519 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001279038196 948634875 /nfs/dbraw/zinc/63/48/75/948634875.db2.gz FUBKXYNHSFCDCC-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001480024616 971542698 /nfs/dbraw/zinc/54/26/98/971542698.db2.gz LWRUOYZMZZNGHZ-CVEARBPZSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001480173216 971612387 /nfs/dbraw/zinc/61/23/87/971612387.db2.gz BPACSRXCIQAPLM-KBUPBQIOSA-N 2 0 279.428 1.672 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001480228074 971637417 /nfs/dbraw/zinc/63/74/17/971637417.db2.gz SKAFTWFMDHJGGQ-QKPAOTATSA-N 2 0 289.423 1.263 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001278612826 950458316 /nfs/dbraw/zinc/45/83/16/950458316.db2.gz GTUSEHUIWZAVMW-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001480662149 971829174 /nfs/dbraw/zinc/82/91/74/971829174.db2.gz UGJHGLJJQNTSCI-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480734624 971856005 /nfs/dbraw/zinc/85/60/05/971856005.db2.gz JCPBTUMYUJMPPN-INIZCTEOSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001480827443 971898512 /nfs/dbraw/zinc/89/85/12/971898512.db2.gz UUTNEZLTGAOOHJ-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001324661160 953503398 /nfs/dbraw/zinc/50/33/98/953503398.db2.gz LXZVOMIHRNVLLC-GDBMZVCRSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001493108762 971951592 /nfs/dbraw/zinc/95/15/92/971951592.db2.gz REEKNFMTOLJCCZ-LSDHHAIUSA-N 2 0 297.418 1.270 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001569170986 1169702781 /nfs/dbraw/zinc/70/27/81/1169702781.db2.gz WHFIUCOATMKELW-HUUCEWRRSA-N 2 0 291.439 1.533 10 30 CDEERP C=C(C)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001493372561 972035347 /nfs/dbraw/zinc/03/53/47/972035347.db2.gz NCJSBNZNLPBFMT-UKRRQHHQSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001329110430 955691986 /nfs/dbraw/zinc/69/19/86/955691986.db2.gz OMDASVMJOCUBHU-STQMWFEESA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C ZINC001329328248 955827558 /nfs/dbraw/zinc/82/75/58/955827558.db2.gz REUHJUCODUIJMP-UHFFFAOYSA-N 2 0 269.433 1.588 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001493958001 972145557 /nfs/dbraw/zinc/14/55/57/972145557.db2.gz YZHNCIBHQOQKMW-INIZCTEOSA-N 2 0 291.439 1.417 10 30 CDEERP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001330336815 956384145 /nfs/dbraw/zinc/38/41/45/956384145.db2.gz ALJIRYYUMDZHBF-LVQVYYBASA-N 2 0 291.439 1.034 10 30 CDEERP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001330475097 956444272 /nfs/dbraw/zinc/44/42/72/956444272.db2.gz LXNPJVVKZBEFPE-JYJNAYRXSA-N 2 0 293.455 1.729 10 30 CDEERP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001316859330 956647244 /nfs/dbraw/zinc/64/72/44/956647244.db2.gz NVEQZAHDRPOYKX-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1CC ZINC001316742624 956671937 /nfs/dbraw/zinc/67/19/37/956671937.db2.gz WFEFQIRKCQSUTK-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480732817 956708393 /nfs/dbraw/zinc/70/83/93/956708393.db2.gz VWXAJOWZIIWBJC-HOTGVXAUSA-N 2 0 293.455 1.519 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001340918448 956761198 /nfs/dbraw/zinc/76/11/98/956761198.db2.gz WDDWDSMAOVLPEU-RDBSUJKOSA-N 2 0 265.401 1.271 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001316910655 956881913 /nfs/dbraw/zinc/88/19/13/956881913.db2.gz FMJASXNKNJPDLC-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001316844167 957063447 /nfs/dbraw/zinc/06/34/47/957063447.db2.gz JCWLEKQBJBQBHC-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C#CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001332119464 957438648 /nfs/dbraw/zinc/43/86/48/957438648.db2.gz RZGKJMIVULJFLT-NVXWUHKLSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317435277 957469881 /nfs/dbraw/zinc/46/98/81/957469881.db2.gz QVOIDFVAOLIRFF-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001317800077 957669389 /nfs/dbraw/zinc/66/93/89/957669389.db2.gz DYSPLMQEXROOJH-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317802760 957671716 /nfs/dbraw/zinc/67/17/16/957671716.db2.gz ZBMHPXYXNVIAEM-HNNXBMFYSA-N 2 0 293.455 1.426 10 30 CDEERP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001318334099 958042069 /nfs/dbraw/zinc/04/20/69/958042069.db2.gz PWGVJWCTYMFZBS-CVEARBPZSA-N 2 0 291.439 1.485 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318423233 958099227 /nfs/dbraw/zinc/09/92/27/958099227.db2.gz CZGBPYIQBRWDAM-ZDUSSCGKSA-N 2 0 265.401 1.047 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001318446637 958106859 /nfs/dbraw/zinc/10/68/59/958106859.db2.gz WOSWMFLJWXRFNY-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001319697776 958692451 /nfs/dbraw/zinc/69/24/51/958692451.db2.gz WBIISTIXZJRLFF-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001319819546 958740273 /nfs/dbraw/zinc/74/02/73/958740273.db2.gz UNGPMGQOKXRTLI-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001320646822 959292371 /nfs/dbraw/zinc/29/23/71/959292371.db2.gz YSJFTPXCDWMYKG-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001569329717 1169767940 /nfs/dbraw/zinc/76/79/40/1169767940.db2.gz SMURTDJWSNGUFZ-GJZGRUSLSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001322299689 960171814 /nfs/dbraw/zinc/17/18/14/960171814.db2.gz WIOSISIPBSVTGT-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001495505438 972524148 /nfs/dbraw/zinc/52/41/48/972524148.db2.gz PIMVTGPXMHKEGK-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001324336406 961312368 /nfs/dbraw/zinc/31/23/68/961312368.db2.gz YTIWFBWJOQLOEN-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001341769658 963536672 /nfs/dbraw/zinc/53/66/72/963536672.db2.gz YKAWPMOZQWCXTP-DZGCQCFKSA-N 2 0 265.401 1.272 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001341769659 963537393 /nfs/dbraw/zinc/53/73/93/963537393.db2.gz YKAWPMOZQWCXTP-HIFRSBDPSA-N 2 0 265.401 1.272 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CC23CCCC3)CC1 ZINC001343099013 963905735 /nfs/dbraw/zinc/90/57/35/963905735.db2.gz NPALCSTTYYPWTR-CQSZACIVSA-N 2 0 277.412 1.285 10 30 CDEERP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC001349821921 966485702 /nfs/dbraw/zinc/48/57/02/966485702.db2.gz BLRHIFVXQWIPIM-UONOGXRCSA-N 2 0 280.416 1.246 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001497620699 973435837 /nfs/dbraw/zinc/43/58/37/973435837.db2.gz LTGRGAUIPGFXQI-SNAWJCMRSA-N 2 0 282.347 1.152 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001498603850 973996803 /nfs/dbraw/zinc/99/68/03/973996803.db2.gz RAGJIMIJNKVHAN-UHFFFAOYSA-N 2 0 287.835 1.519 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001498832887 974072211 /nfs/dbraw/zinc/07/22/11/974072211.db2.gz QHRRQEVGSJYHFF-CVEARBPZSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001498861706 974083563 /nfs/dbraw/zinc/08/35/63/974083563.db2.gz DOVALKDIEOUXBN-CQSZACIVSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001499417036 974251700 /nfs/dbraw/zinc/25/17/00/974251700.db2.gz WXVYHEVXNZGVIB-UHFFFAOYSA-N 2 0 291.439 1.533 10 30 CDEERP C=C(C)CC[NH+]1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001499795207 974305600 /nfs/dbraw/zinc/30/56/00/974305600.db2.gz KENGNWQJALSNGU-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=CCCC[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500281253 974414908 /nfs/dbraw/zinc/41/49/08/974414908.db2.gz SVQVYNOMFLNSSH-DOTOQJQBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001500356734 974427761 /nfs/dbraw/zinc/42/77/61/974427761.db2.gz YGAYZZRRIQICGA-HOCLYGCPSA-N 2 0 279.428 1.034 10 30 CDEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001501679416 974622464 /nfs/dbraw/zinc/62/24/64/974622464.db2.gz PDRWFUPCHNQTIK-CQSZACIVSA-N 2 0 287.407 1.538 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001502074615 974688474 /nfs/dbraw/zinc/68/84/74/974688474.db2.gz KYVDIGCCTUKUCS-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001502796859 974786235 /nfs/dbraw/zinc/78/62/35/974786235.db2.gz AMVCXJPRXAUEKE-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001502810161 974788225 /nfs/dbraw/zinc/78/82/25/974788225.db2.gz YAPPPFJPVIYWAJ-ZDUSSCGKSA-N 2 0 299.846 1.661 10 30 CDEERP C#CCC[NH+](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001506969917 975278310 /nfs/dbraw/zinc/27/83/10/975278310.db2.gz HJOKVXOJTYRACL-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507028625 975299484 /nfs/dbraw/zinc/29/94/84/975299484.db2.gz RUWRKNQSAMXYOU-HOCLYGCPSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001507148225 975355471 /nfs/dbraw/zinc/35/54/71/975355471.db2.gz LPDBAPZIOWDEEJ-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001492966670 976737968 /nfs/dbraw/zinc/73/79/68/976737968.db2.gz YLFFWUXODXEQAD-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001676414273 1174222863 /nfs/dbraw/zinc/22/28/63/1174222863.db2.gz YFVHWPZLPOMMFW-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001656088072 1171761406 /nfs/dbraw/zinc/76/14/06/1171761406.db2.gz GDAVKQIBMQWYFJ-CQSZACIVSA-N 2 0 279.428 1.437 10 30 CDEERP C[C@H]1CC2(C[N@@H+]1Cc1ccncc1C#N)CC[NH2+]CC2 ZINC000592495279 342697153 /nfs/dbraw/zinc/69/71/53/342697153.db2.gz PLABAYXVAPNHAM-ZDUSSCGKSA-N 2 0 270.380 1.917 10 30 CDEERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000593912297 342855904 /nfs/dbraw/zinc/85/59/04/342855904.db2.gz CXJUMGLFLMMCLD-CYBMUJFWSA-N 2 0 268.405 1.102 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000594436250 342899188 /nfs/dbraw/zinc/89/91/88/342899188.db2.gz CCMNNNJMARFEHT-CQSZACIVSA-N 2 0 298.350 1.617 10 30 CDEERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440966 342907397 /nfs/dbraw/zinc/90/73/97/342907397.db2.gz KFKANCJTINUMHH-KBPBESRZSA-N 2 0 282.432 1.490 10 30 CDEERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594441733 342907849 /nfs/dbraw/zinc/90/78/49/342907849.db2.gz VXNUPQCCGJQRLR-KBPBESRZSA-N 2 0 280.416 1.340 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000594453181 342910693 /nfs/dbraw/zinc/91/06/93/342910693.db2.gz LMJPUVISCGXISZ-AWEZNQCLSA-N 2 0 292.358 1.312 10 30 CDEERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594454990 342911358 /nfs/dbraw/zinc/91/13/58/342911358.db2.gz XDGOCBAZYPAIBT-HNNXBMFYSA-N 2 0 288.395 1.433 10 30 CDEERP C[C@H]1C[C@H](N(C)Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1C ZINC000581943881 364052799 /nfs/dbraw/zinc/05/27/99/364052799.db2.gz DVAMDHRCKNBLOL-SWLSCSKDSA-N 2 0 298.394 1.515 10 30 CDEERP C=CCN1CC[C@@H]([N@@H+]2CCC3(C2)CC[NH+](C)CC3)C1=O ZINC000639754558 364747265 /nfs/dbraw/zinc/74/72/65/364747265.db2.gz CESXYEMJVRTQHN-CQSZACIVSA-N 2 0 277.412 1.191 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001661473648 1172394936 /nfs/dbraw/zinc/39/49/36/1172394936.db2.gz NWLJIVUUCIDRAA-TUVASFSCSA-N 2 0 281.444 1.918 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001661817819 1172450743 /nfs/dbraw/zinc/45/07/43/1172450743.db2.gz CBAJEPFEJHVMBU-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335589 412903290 /nfs/dbraw/zinc/90/32/90/412903290.db2.gz ORPPPTIAXOXDKR-CYBMUJFWSA-N 2 0 275.400 1.185 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001662733790 1172588858 /nfs/dbraw/zinc/58/88/58/1172588858.db2.gz VYHOBMQVJJOMIA-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC([C@H](C)[NH3+])CC2)CCC[NH2+]1 ZINC000662409344 412977053 /nfs/dbraw/zinc/97/70/53/412977053.db2.gz IFKSBTHMVSITKP-WFASDCNBSA-N 2 0 265.401 1.271 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC(OCCC[NH3+])CC2)CCC[NH2+]1 ZINC000662428621 413010744 /nfs/dbraw/zinc/01/07/44/413010744.db2.gz KWSJSKAGFUJMNZ-INIZCTEOSA-N 2 0 295.427 1.041 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC(C[NH+](C)C)CC2)CCC[NH2+]1 ZINC000662682378 413305612 /nfs/dbraw/zinc/30/56/12/413305612.db2.gz DSWCHSROLYLBKX-INIZCTEOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662754963 413437554 /nfs/dbraw/zinc/43/75/54/413437554.db2.gz WLLKTMXWWMSFEN-HEHGZKQESA-N 2 0 277.412 1.426 10 30 CDEERP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689079 175095732 /nfs/dbraw/zinc/09/57/32/175095732.db2.gz UNZHJZPKDCALFK-DGCLKSJQSA-N 2 0 291.420 1.144 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001667344543 1173256307 /nfs/dbraw/zinc/25/63/07/1173256307.db2.gz DHYRANGVAQHSRA-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001668059160 1173363460 /nfs/dbraw/zinc/36/34/60/1173363460.db2.gz AXTLUINKYXSJSA-GOEBONIOSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001668151868 1173374741 /nfs/dbraw/zinc/37/47/41/1173374741.db2.gz BVPVPNCRDMDCLK-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001669877111 1173622827 /nfs/dbraw/zinc/62/28/27/1173622827.db2.gz CAJPQIQAIHMHJR-ZIAGYGMSSA-N 2 0 269.433 1.585 10 30 CDEERP C[NH+]=C(NC1CCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000262807209 330032922 /nfs/dbraw/zinc/03/29/22/330032922.db2.gz TVDRQWMVMOPDII-AWEZNQCLSA-N 2 0 278.444 1.922 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001731806475 1159345180 /nfs/dbraw/zinc/34/51/80/1159345180.db2.gz ABLMBPIFFPEKSE-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001267994227 1159640265 /nfs/dbraw/zinc/64/02/65/1159640265.db2.gz PDIUFOJCBLKLQB-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001699742803 1176600697 /nfs/dbraw/zinc/60/06/97/1176600697.db2.gz JLAQAVQTOGUGEZ-ZIAGYGMSSA-N 2 0 267.417 1.482 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483320070 1160899053 /nfs/dbraw/zinc/89/90/53/1160899053.db2.gz QUXRAGOVUFTMFI-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001671695191 1161402104 /nfs/dbraw/zinc/40/21/04/1161402104.db2.gz ZWHTWCIIVCWZAZ-INIZCTEOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001714547057 1179203383 /nfs/dbraw/zinc/20/33/83/1179203383.db2.gz DZNOPYZUTUUZRN-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP CCCN[C@@H](C#N)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000062436817 519981573 /nfs/dbraw/zinc/98/15/73/519981573.db2.gz WFNATLZFALEGFU-OAHLLOKOSA-N 2 0 266.433 1.542 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333151908 526595791 /nfs/dbraw/zinc/59/57/91/526595791.db2.gz FIJWCYMTXDHCLM-HNNXBMFYSA-N 2 0 294.443 1.468 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001688885965 1175055200 /nfs/dbraw/zinc/05/52/00/1175055200.db2.gz FILFRUKNYHFRCF-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218755 613746041 /nfs/dbraw/zinc/74/60/41/613746041.db2.gz YYVXXHGXGUPCHO-ZIAGYGMSSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCN(C)CCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000926491673 617899160 /nfs/dbraw/zinc/89/91/60/617899160.db2.gz YWWZSAPGSZPLKW-HOTGVXAUSA-N 2 0 264.413 1.736 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000900009081 622629464 /nfs/dbraw/zinc/62/94/64/622629464.db2.gz FCDIZTVCZVIUAO-UHFFFAOYSA-N 2 0 267.417 1.295 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000900994102 623810903 /nfs/dbraw/zinc/81/09/03/623810903.db2.gz FZQNWKAKIUEFBZ-QWHCGFSZSA-N 2 0 265.401 1.236 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000901273445 624059983 /nfs/dbraw/zinc/05/99/83/624059983.db2.gz WVORLCDRWYKGTK-KBPBESRZSA-N 2 0 267.417 1.435 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000908188863 628060760 /nfs/dbraw/zinc/06/07/60/628060760.db2.gz FNRCJMIJCWNEDS-HUUCEWRRSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000912598915 630083514 /nfs/dbraw/zinc/08/35/14/630083514.db2.gz HKVIKGMOYJLORL-KGLIPLIRSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CC ZINC001670587643 1158654548 /nfs/dbraw/zinc/65/45/48/1158654548.db2.gz JFPWVOMAJYMXSR-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[N@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001670724872 1158727953 /nfs/dbraw/zinc/72/79/53/1158727953.db2.gz QUFUVFTVZAKYPU-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001700257394 1158943924 /nfs/dbraw/zinc/94/39/24/1158943924.db2.gz AAOBGHWKROIPLY-HIFRSBDPSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001691373997 1159042467 /nfs/dbraw/zinc/04/24/67/1159042467.db2.gz LVRVLYYACLYLDU-UHFFFAOYSA-N 2 0 272.352 1.490 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CC(=C)C)CC1 ZINC001691055685 1158847408 /nfs/dbraw/zinc/84/74/08/1158847408.db2.gz HLXGRVFZMVPNTI-UHFFFAOYSA-N 2 0 291.439 1.346 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001691188720 1158951131 /nfs/dbraw/zinc/95/11/31/1158951131.db2.gz FXXMFLXNYHLGSQ-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001698862158 1159133702 /nfs/dbraw/zinc/13/37/02/1159133702.db2.gz VIJLYRMZYRZAAN-AWEZNQCLSA-N 2 0 269.433 1.729 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000876844416 1165925395 /nfs/dbraw/zinc/92/53/95/1165925395.db2.gz ZTLQGRLTHRELBT-CQSZACIVSA-N 2 0 295.814 1.486 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001565781096 1168169443 /nfs/dbraw/zinc/16/94/43/1168169443.db2.gz GQVOQFQLGOCLAU-CQSZACIVSA-N 2 0 265.401 1.191 10 30 CDEERP C=C(C)CC[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001566461380 1168287479 /nfs/dbraw/zinc/28/74/79/1168287479.db2.gz XYASOCPHYDNKNW-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001566693032 1168388782 /nfs/dbraw/zinc/38/87/82/1168388782.db2.gz NWPYROZICHNTSM-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001566755401 1168409275 /nfs/dbraw/zinc/40/92/75/1168409275.db2.gz GCRVVKVGRHGLCP-GASCZTMLSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001567336283 1168688494 /nfs/dbraw/zinc/68/84/94/1168688494.db2.gz VDIOWYTUWWGWRT-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001568968986 1169568615 /nfs/dbraw/zinc/56/86/15/1169568615.db2.gz GAYJZGXFQAAOCL-WAYWQWQTSA-N 2 0 277.412 1.148 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001569381484 1169831663 /nfs/dbraw/zinc/83/16/63/1169831663.db2.gz QVHXFHVHUNPMHM-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C(C)C)CC1 ZINC001569596272 1169932475 /nfs/dbraw/zinc/93/24/75/1169932475.db2.gz UQLZMHCKZFRSPT-OAHLLOKOSA-N 2 0 291.439 1.273 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001570018631 1170059478 /nfs/dbraw/zinc/05/94/78/1170059478.db2.gz HCQHTWBWXRYVGB-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001570570499 1170193432 /nfs/dbraw/zinc/19/34/32/1170193432.db2.gz CLDRXDFNFYCFRJ-UIDBIOKJSA-N 2 0 293.455 1.777 10 30 CDEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001571281033 1170358652 /nfs/dbraw/zinc/35/86/52/1170358652.db2.gz URNPOTSSNAAXSI-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001571543294 1170471133 /nfs/dbraw/zinc/47/11/33/1170471133.db2.gz ZUXBLBHNQRQLJE-HOCLYGCPSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001661034558 1172324956 /nfs/dbraw/zinc/32/49/56/1172324956.db2.gz IKQFEPNLPPYWMK-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001662790271 1172594294 /nfs/dbraw/zinc/59/42/94/1172594294.db2.gz FRMHXLBINLLKKT-LSDHHAIUSA-N 2 0 291.439 1.675 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001662791317 1172596350 /nfs/dbraw/zinc/59/63/50/1172596350.db2.gz OTIYZZPLVTZRHO-HOTGVXAUSA-N 2 0 293.455 1.759 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCCC ZINC001668456107 1173415191 /nfs/dbraw/zinc/41/51/91/1173415191.db2.gz XUDILNKWDVWATM-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)Cn2ccnc2C)C1 ZINC001674608374 1173967404 /nfs/dbraw/zinc/96/74/04/1173967404.db2.gz MKMMDWLTCWSHIF-UHFFFAOYSA-N 2 0 276.384 1.252 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001689327311 1175146884 /nfs/dbraw/zinc/14/68/84/1175146884.db2.gz VHDDULXFSSAUSD-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001690278313 1175421827 /nfs/dbraw/zinc/42/18/27/1175421827.db2.gz DBZMVOKWVQHTIN-KKUMJFAQSA-N 2 0 279.428 1.674 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001690501539 1175482366 /nfs/dbraw/zinc/48/23/66/1175482366.db2.gz MMUCTHAMQQMKIH-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C/C=C\Cl)CC1 ZINC001690650560 1175536652 /nfs/dbraw/zinc/53/66/52/1175536652.db2.gz MSGKSGWIOFMOAA-IRBQFCFKSA-N 2 0 297.830 1.178 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001698601587 1175868123 /nfs/dbraw/zinc/86/81/23/1175868123.db2.gz RHINXNJHUBIHJR-LSDHHAIUSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001698652889 1175887617 /nfs/dbraw/zinc/88/76/17/1175887617.db2.gz RTMYGHOAAYGVNS-QGZVFWFLSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001698861619 1175968562 /nfs/dbraw/zinc/96/85/62/1175968562.db2.gz QZMQINLWYUGLBE-ZDUSSCGKSA-N 2 0 255.406 1.339 10 30 CDEERP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001698954768 1175993786 /nfs/dbraw/zinc/99/37/86/1175993786.db2.gz WAYPVCZBPLICPC-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699140162 1176109691 /nfs/dbraw/zinc/10/96/91/1176109691.db2.gz FOWYOWFENJUGMD-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001699655698 1176552062 /nfs/dbraw/zinc/55/20/62/1176552062.db2.gz OLZUZIFMAZEOJB-UHFFFAOYSA-N 2 0 291.439 1.677 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001699742802 1176600523 /nfs/dbraw/zinc/60/05/23/1176600523.db2.gz JLAQAVQTOGUGEZ-UONOGXRCSA-N 2 0 267.417 1.482 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001699741498 1176600560 /nfs/dbraw/zinc/60/05/60/1176600560.db2.gz UZVGCHKQOWFJJB-CABCVRRESA-N 2 0 289.423 1.075 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001699934117 1176687123 /nfs/dbraw/zinc/68/71/23/1176687123.db2.gz JZGNXLBCVZBYJJ-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CCC1 ZINC001700132231 1176763920 /nfs/dbraw/zinc/76/39/20/1176763920.db2.gz VCLNYSKSSOGVDQ-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001700275163 1176828530 /nfs/dbraw/zinc/82/85/30/1176828530.db2.gz RNVUSPXZUPJHAA-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001700634805 1177046532 /nfs/dbraw/zinc/04/65/32/1177046532.db2.gz SBWOTYYTVWMDQU-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001700646073 1177054936 /nfs/dbraw/zinc/05/49/36/1177054936.db2.gz RKZFJHAWHGMPAS-WKILWMFISA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001700779932 1177130588 /nfs/dbraw/zinc/13/05/88/1177130588.db2.gz FQTZEIHMAYDHGN-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC1(C)C ZINC001700945329 1177203977 /nfs/dbraw/zinc/20/39/77/1177203977.db2.gz FSPWRNFDHDJYOY-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001700948182 1177204253 /nfs/dbraw/zinc/20/42/53/1177204253.db2.gz UPEXXXOGRZWZMJ-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001713038114 1178324529 /nfs/dbraw/zinc/32/45/29/1178324529.db2.gz XEXIUEOSEPYGNQ-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001713247323 1178450669 /nfs/dbraw/zinc/45/06/69/1178450669.db2.gz XOMZXGOLDZGTKK-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713278110 1178462637 /nfs/dbraw/zinc/46/26/37/1178462637.db2.gz QYOBLUDYVAGFPH-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001713667254 1178702951 /nfs/dbraw/zinc/70/29/51/1178702951.db2.gz RSIJIAXAMSIANN-UHFFFAOYSA-N 2 0 281.444 1.877 10 30 CDEERP CC#CC[N@H+](C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001713766267 1178742695 /nfs/dbraw/zinc/74/26/95/1178742695.db2.gz STWKARAVGWDCFA-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C#CC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001714108477 1178977940 /nfs/dbraw/zinc/97/79/40/1178977940.db2.gz PTSOPXCJOQTCNM-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@@H]1C ZINC001714184632 1179006750 /nfs/dbraw/zinc/00/67/50/1179006750.db2.gz BGHKCILAQYEYNE-RDJZCZTQSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001714329262 1179080454 /nfs/dbraw/zinc/08/04/54/1179080454.db2.gz BVRXTBIIPZVQSW-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001714476008 1179159453 /nfs/dbraw/zinc/15/94/53/1179159453.db2.gz VBFRMRWWQUVINO-CQSZACIVSA-N 2 0 297.443 1.015 10 30 CDEERP C=CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001714541395 1179197497 /nfs/dbraw/zinc/19/74/97/1179197497.db2.gz LZWSKFQCGOYEHS-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001714652073 1179298832 /nfs/dbraw/zinc/29/88/32/1179298832.db2.gz ZVAHIHUWRIARSC-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001714867249 1179428814 /nfs/dbraw/zinc/42/88/14/1179428814.db2.gz NMCCZHCESKUSQU-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@@H+](C)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001714912526 1179450214 /nfs/dbraw/zinc/45/02/14/1179450214.db2.gz GHJBBPIEEJAUQF-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH+]1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001714980789 1179488209 /nfs/dbraw/zinc/48/82/09/1179488209.db2.gz YHAIHFYXZOBDQO-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715023659 1179515020 /nfs/dbraw/zinc/51/50/20/1179515020.db2.gz PLNXHQACKHRENB-CQSZACIVSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001715400487 1179657294 /nfs/dbraw/zinc/65/72/94/1179657294.db2.gz USYAMHGLNXRIHO-CVEARBPZSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001715573034 1179721423 /nfs/dbraw/zinc/72/14/23/1179721423.db2.gz XOYXWQXCYMSZDX-JKSUJKDBSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001715740013 1179786701 /nfs/dbraw/zinc/78/67/01/1179786701.db2.gz MADSKUXRJGBNIT-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001715842312 1179863516 /nfs/dbraw/zinc/86/35/16/1179863516.db2.gz WAFUHSWYNKERLZ-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716410383 1180192229 /nfs/dbraw/zinc/19/22/29/1180192229.db2.gz UCYYCQPUXUYDCN-ILXRZTDVSA-N 2 0 297.443 1.014 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC(C)C)CC2)CC1 ZINC001716700455 1180377016 /nfs/dbraw/zinc/37/70/16/1180377016.db2.gz CTMCGRFSNFSWAD-UHFFFAOYSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001716790739 1180416148 /nfs/dbraw/zinc/41/61/48/1180416148.db2.gz MNFQCSGVOGHGTG-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](C(C)C)CC1 ZINC001716803483 1180419615 /nfs/dbraw/zinc/41/96/15/1180419615.db2.gz DIVNIGCAUVNEJP-INIZCTEOSA-N 2 0 291.439 1.415 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001717336454 1180620281 /nfs/dbraw/zinc/62/02/81/1180620281.db2.gz FTJLJGQWPLPFKZ-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001717358898 1180627635 /nfs/dbraw/zinc/62/76/35/1180627635.db2.gz WDYSPHQKGRGJSL-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001717371256 1180633753 /nfs/dbraw/zinc/63/37/53/1180633753.db2.gz NCBBAJFCVFULAH-CVEARBPZSA-N 2 0 293.455 1.663 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001717371259 1180634099 /nfs/dbraw/zinc/63/40/99/1180634099.db2.gz NCBBAJFCVFULAH-JKSUJKDBSA-N 2 0 293.455 1.663 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001717376833 1180637660 /nfs/dbraw/zinc/63/76/60/1180637660.db2.gz YVYAOGNHTMAJBS-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001717622560 1180761014 /nfs/dbraw/zinc/76/10/14/1180761014.db2.gz IEQZYQJUTGNVJC-XHSDSOJGSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001717642135 1180769932 /nfs/dbraw/zinc/76/99/32/1180769932.db2.gz KKORVDFCRZXKJS-HDJSIYSDSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001723297261 1181533756 /nfs/dbraw/zinc/53/37/56/1181533756.db2.gz FMPUBMRAZYPZSM-JKSUJKDBSA-N 2 0 291.439 1.367 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001723964981 1181626390 /nfs/dbraw/zinc/62/63/90/1181626390.db2.gz WMPLZPJEWRJUAB-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001725056994 1181837547 /nfs/dbraw/zinc/83/75/47/1181837547.db2.gz IFIKWPRDDXBXKM-HZPDHXFCSA-N 2 0 291.439 1.132 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001725073113 1181845567 /nfs/dbraw/zinc/84/55/67/1181845567.db2.gz GTLBIEHRCXPSLT-UHFFFAOYSA-N 2 0 291.439 1.533 10 30 CDEERP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001725197711 1181918988 /nfs/dbraw/zinc/91/89/88/1181918988.db2.gz VDGQUAUUZPGWFW-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001725357055 1181970746 /nfs/dbraw/zinc/97/07/46/1181970746.db2.gz PFVQBVBDKZKHRN-YHUYYLMFSA-N 2 0 293.455 1.920 10 30 CDEERP C#CCC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001725444001 1182002216 /nfs/dbraw/zinc/00/22/16/1182002216.db2.gz OLARDFWYBQORKK-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725449845 1182004159 /nfs/dbraw/zinc/00/41/59/1182004159.db2.gz DLCLEDFXZADTBL-HOTGVXAUSA-N 2 0 291.439 1.341 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001725451181 1182005206 /nfs/dbraw/zinc/00/52/06/1182005206.db2.gz CWVCBHQETQIZDC-JKSUJKDBSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001731635292 1182494100 /nfs/dbraw/zinc/49/41/00/1182494100.db2.gz UTZVQVPKQJHVTG-KBPBESRZSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731670180 1182510554 /nfs/dbraw/zinc/51/05/54/1182510554.db2.gz DKRJVOJHKTYOFD-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001731699188 1182522226 /nfs/dbraw/zinc/52/22/26/1182522226.db2.gz LWCVEXXGIPZBQT-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001731810675 1182599216 /nfs/dbraw/zinc/59/92/16/1182599216.db2.gz HGLFXNHYWZFUFU-UHFFFAOYSA-N 2 0 281.444 1.426 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001731922318 1182676845 /nfs/dbraw/zinc/67/68/45/1182676845.db2.gz PGBQRVAPLRAVDO-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001732165291 1182825629 /nfs/dbraw/zinc/82/56/29/1182825629.db2.gz MIXMGHLUVRGNOS-CYBMUJFWSA-N 2 0 265.401 1.189 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001732524916 1182996425 /nfs/dbraw/zinc/99/64/25/1182996425.db2.gz OOCKTUIXQQOQER-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001732940719 1183191972 /nfs/dbraw/zinc/19/19/72/1183191972.db2.gz SCFNTXYITSGEKV-KOABKASLSA-N 2 0 299.846 1.874 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001733221512 1183349783 /nfs/dbraw/zinc/34/97/83/1183349783.db2.gz CZMJXRQQVLQGQZ-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001733378533 1183413165 /nfs/dbraw/zinc/41/31/65/1183413165.db2.gz AETJUCVVLNMWII-HZPDHXFCSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001733410669 1183424657 /nfs/dbraw/zinc/42/46/57/1183424657.db2.gz JDLLJFOYLGARLD-ZBFHGGJFSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001733434531 1183432636 /nfs/dbraw/zinc/43/26/36/1183432636.db2.gz HKKKEZAORUMMAD-MRXNPFEDSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001733469235 1183440836 /nfs/dbraw/zinc/44/08/36/1183440836.db2.gz VRHXPRVNUDGXIB-INIZCTEOSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001733767195 1183525698 /nfs/dbraw/zinc/52/56/98/1183525698.db2.gz RWWOCUMXJGDLJJ-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001733780813 1183532099 /nfs/dbraw/zinc/53/20/99/1183532099.db2.gz RFIXWPDDRHOFSN-HZPDHXFCSA-N 2 0 293.455 1.663 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001734117127 1183665585 /nfs/dbraw/zinc/66/55/85/1183665585.db2.gz MNKKYFYCIYLJAU-ZDUSSCGKSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001734500161 1183802061 /nfs/dbraw/zinc/80/20/61/1183802061.db2.gz IXQGQNIWFDZFJV-CQSZACIVSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000876862636 726019747 /nfs/dbraw/zinc/01/97/47/726019747.db2.gz SCUNSTIUSZLYIO-GFCCVEGCSA-N 2 0 267.760 1.814 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000928654130 726291654 /nfs/dbraw/zinc/29/16/54/726291654.db2.gz OKJMRJVAFVPWID-ZDUSSCGKSA-N 2 0 279.428 1.367 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000876708509 726829038 /nfs/dbraw/zinc/82/90/38/726829038.db2.gz SDBQSZNLLLLHJD-UONOGXRCSA-N 2 0 295.814 1.875 10 30 CDEERP [NH2+]=C(NCCCC[NH+]1CCOCC1)NC1CCCCC1 ZINC000104169690 726857485 /nfs/dbraw/zinc/85/74/85/726857485.db2.gz GPEJZTLWSUYNGC-UHFFFAOYSA-N 2 0 282.432 1.336 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000876840433 726890520 /nfs/dbraw/zinc/89/05/20/726890520.db2.gz SASKEUQXCPTOKH-MELADBBJSA-N 2 0 293.798 1.410 10 30 CDEERP CCC[N@H+](C)C[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852869668 726956882 /nfs/dbraw/zinc/95/68/82/726956882.db2.gz JVSZQERYFURXNM-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000863552051 727280524 /nfs/dbraw/zinc/28/05/24/727280524.db2.gz OXGNHSQPJDEMBH-MJBXVCDLSA-N 2 0 265.401 1.504 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000876855704 727344886 /nfs/dbraw/zinc/34/48/86/727344886.db2.gz ZREUMHAQVOJURI-LBPRGKRZSA-N 2 0 295.770 1.577 10 30 CDEERP C[N@@H+]1CCCN(CCCNC(=[NH2+])NC2CCCCC2)CC1 ZINC000104183165 727363189 /nfs/dbraw/zinc/36/31/89/727363189.db2.gz YVPFUXSDUMVNIY-UHFFFAOYSA-N 2 0 295.475 1.251 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000876748310 727461893 /nfs/dbraw/zinc/46/18/93/727461893.db2.gz BAQPQRDLEVWXAN-GHMZBOCLSA-N 2 0 259.781 1.009 10 30 CDEERP C=CC[C@@]1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000852879565 728042416 /nfs/dbraw/zinc/04/24/16/728042416.db2.gz XEQDDZQLNVERPP-JZXOWHBKSA-N 2 0 299.418 1.638 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCSC ZINC000304755780 728098563 /nfs/dbraw/zinc/09/85/63/728098563.db2.gz NBACPGFPXXKPPT-LBPRGKRZSA-N 2 0 272.462 1.518 10 30 CDEERP C=CCOCC[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001620683181 1165666069 /nfs/dbraw/zinc/66/60/69/1165666069.db2.gz ANARCLXGEKKFCT-IYBDPMFKSA-N 2 0 264.413 1.997 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567914161 1168072507 /nfs/dbraw/zinc/07/25/07/1168072507.db2.gz AADZTNNCRAUCOM-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001566516681 1168318457 /nfs/dbraw/zinc/31/84/57/1168318457.db2.gz URIKRSHDUVRCHZ-UHFFFAOYSA-N 2 0 253.390 1.096 10 30 CDEERP C=CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001566825798 1168433275 /nfs/dbraw/zinc/43/32/75/1168433275.db2.gz BEZAROFWUVHQOW-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001566871389 1168453354 /nfs/dbraw/zinc/45/33/54/1168453354.db2.gz BGEQSUWFEQCAIX-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567203293 1168617089 /nfs/dbraw/zinc/61/70/89/1168617089.db2.gz VXXLCWBBAIQBPF-OAHLLOKOSA-N 2 0 289.423 1.028 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001272566620 913454543 /nfs/dbraw/zinc/45/45/43/913454543.db2.gz ZZJOICJFLXIUFS-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001266280619 894084391 /nfs/dbraw/zinc/08/43/91/894084391.db2.gz MCTZRIMCWMMFSA-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001266545635 895301995 /nfs/dbraw/zinc/30/19/95/895301995.db2.gz XTUOCHAPKATNKQ-JYJNAYRXSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001266876681 896265611 /nfs/dbraw/zinc/26/56/11/896265611.db2.gz NQCOVNMFZSYGNQ-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001267057230 896650392 /nfs/dbraw/zinc/65/03/92/896650392.db2.gz CWSTYWIRTUDZFY-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001267062617 896666004 /nfs/dbraw/zinc/66/60/04/896666004.db2.gz YDCNLRAOAJWXOO-OAHLLOKOSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267303719 897533862 /nfs/dbraw/zinc/53/38/62/897533862.db2.gz AHCQHRIVIKCEJV-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001481121018 898930566 /nfs/dbraw/zinc/93/05/66/898930566.db2.gz RDRQWAQJGDCXNH-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267697244 899314357 /nfs/dbraw/zinc/31/43/57/899314357.db2.gz HOMHKBOQNZZVKT-HNNXBMFYSA-N 2 0 281.444 1.587 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001496366386 899921929 /nfs/dbraw/zinc/92/19/29/899921929.db2.gz BVNJBSQQMHHZRC-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001268190716 901545606 /nfs/dbraw/zinc/54/56/06/901545606.db2.gz FEMMAZLBVSIAEC-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C ZINC001268396353 901989605 /nfs/dbraw/zinc/98/96/05/901989605.db2.gz IOZUTMYTFSJARB-NSHDSACASA-N 2 0 261.797 1.175 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001481768299 902100724 /nfs/dbraw/zinc/10/07/24/902100724.db2.gz NFYUXBFZABPVGO-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001481880842 902258770 /nfs/dbraw/zinc/25/87/70/902258770.db2.gz HSQKZEIDEKUFAP-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268648978 902892121 /nfs/dbraw/zinc/89/21/21/902892121.db2.gz AQPFNKSGTXIMNI-ZBFHGGJFSA-N 2 0 291.439 1.511 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001268770946 903110672 /nfs/dbraw/zinc/11/06/72/903110672.db2.gz LKQHGSWYZCWTMN-JKSUJKDBSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001269629087 903995396 /nfs/dbraw/zinc/99/53/96/903995396.db2.gz ARMUTQJJSLXBCP-GRDNDAEWSA-N 2 0 293.455 1.777 10 30 CDEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001270071277 904324556 /nfs/dbraw/zinc/32/45/56/904324556.db2.gz QRTHSUNKLKLAQR-QGZVFWFLSA-N 2 0 299.418 1.510 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001482297177 904731185 /nfs/dbraw/zinc/73/11/85/904731185.db2.gz BTGHXSXNQAVPTH-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001270840370 905126840 /nfs/dbraw/zinc/12/68/40/905126840.db2.gz NNAUYXRKEZTPET-HOCLYGCPSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482392892 905289616 /nfs/dbraw/zinc/28/96/16/905289616.db2.gz JXPGFXFBKVGMAB-CVEARBPZSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001482499405 906675213 /nfs/dbraw/zinc/67/52/13/906675213.db2.gz QAXRBZVGTQGLSG-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482831290 908410372 /nfs/dbraw/zinc/41/03/72/908410372.db2.gz JSMQYEYJKJKNKK-CABCVRRESA-N 2 0 279.428 1.367 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482865406 908443817 /nfs/dbraw/zinc/44/38/17/908443817.db2.gz ODLNQPJJOVXPHA-KKUMJFAQSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482899491 908465503 /nfs/dbraw/zinc/46/55/03/908465503.db2.gz QICORTMCZZKVDI-VXGBXAGGSA-N 2 0 273.808 1.175 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001483781980 915062052 /nfs/dbraw/zinc/06/20/52/915062052.db2.gz WXPBBHVKOCOPOF-UHFFFAOYSA-N 2 0 253.390 1.143 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001483794158 915073459 /nfs/dbraw/zinc/07/34/59/915073459.db2.gz PWKIEUFBGBPOKW-KBPBESRZSA-N 2 0 279.428 1.674 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001483951638 915234187 /nfs/dbraw/zinc/23/41/87/915234187.db2.gz IRPIOCJNMHQFBT-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484118757 915442246 /nfs/dbraw/zinc/44/22/46/915442246.db2.gz GVHUXVFDDKZWRH-KRWDZBQOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001484660541 916008803 /nfs/dbraw/zinc/00/88/03/916008803.db2.gz IPSRKNCHCVNDDA-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCO1 ZINC001484695736 916058296 /nfs/dbraw/zinc/05/82/96/916058296.db2.gz HSTJLHOXNRPNQZ-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001484910899 916263224 /nfs/dbraw/zinc/26/32/24/916263224.db2.gz YLCNVHDUYDHLMV-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001485110505 916536854 /nfs/dbraw/zinc/53/68/54/916536854.db2.gz LIQUGFULTFHYFW-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485164182 916620484 /nfs/dbraw/zinc/62/04/84/916620484.db2.gz ROKKACIVFKQLQP-CABCVRRESA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001485825718 918761896 /nfs/dbraw/zinc/76/18/96/918761896.db2.gz GRJGMIMWXSYCTR-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001485956329 920595607 /nfs/dbraw/zinc/59/56/07/920595607.db2.gz VRAICOLEKVUXQC-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001273200704 924496172 /nfs/dbraw/zinc/49/61/72/924496172.db2.gz FINKHJQHCXUCSK-UHFFFAOYSA-N 2 0 291.439 1.514 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001568398209 1169272159 /nfs/dbraw/zinc/27/21/59/1169272159.db2.gz QNQUJCIZXWMFBY-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001489331255 926876851 /nfs/dbraw/zinc/87/68/51/926876851.db2.gz QSXKCOHIDXMFEV-HNNXBMFYSA-N 2 0 291.439 1.581 10 30 CDEERP C#CC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000852206389 927740716 /nfs/dbraw/zinc/74/07/16/927740716.db2.gz IVZZZULAYYSVQV-LSDHHAIUSA-N 2 0 252.402 1.423 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)CCCn1ccnc1 ZINC001568506220 1169337155 /nfs/dbraw/zinc/33/71/55/1169337155.db2.gz GCTQMDZUUIANRR-UHFFFAOYSA-N 2 0 276.384 1.077 10 30 CDEERP C=C(C)CC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001273996087 930717346 /nfs/dbraw/zinc/71/73/46/930717346.db2.gz ZFBDUNTWPJVMDZ-UHFFFAOYSA-N 2 0 297.443 1.159 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)CC1 ZINC000824083749 931395627 /nfs/dbraw/zinc/39/56/27/931395627.db2.gz BXNPXDCKOLUWFN-HUUCEWRRSA-N 2 0 291.439 1.177 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274720620 931557986 /nfs/dbraw/zinc/55/79/86/931557986.db2.gz ZSMYMYOLVBCFLV-BFHYXJOUSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001275024762 931636965 /nfs/dbraw/zinc/63/69/65/931636965.db2.gz QEODAIMEBCZZOT-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001276146652 932566156 /nfs/dbraw/zinc/56/61/56/932566156.db2.gz HQJCAZNRHMRRNG-JKSUJKDBSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001276686885 940698593 /nfs/dbraw/zinc/69/85/93/940698593.db2.gz NWDHRLHEDGQYNG-UKRRQHHQSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001280263883 942427016 /nfs/dbraw/zinc/42/70/16/942427016.db2.gz OBEHSAIRUMKUCA-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001281666128 942607304 /nfs/dbraw/zinc/60/73/04/942607304.db2.gz WDKYUPAGKRSKPI-HUUCEWRRSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001282561656 942730401 /nfs/dbraw/zinc/73/04/01/942730401.db2.gz HFEMMTSSUHNLPQ-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001284244314 943130068 /nfs/dbraw/zinc/13/00/68/943130068.db2.gz IYLGHWLCHWWOIO-CVEARBPZSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001263848331 944000735 /nfs/dbraw/zinc/00/07/35/944000735.db2.gz PMEDBGNRDICJNX-GASCZTMLSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001265674051 944465490 /nfs/dbraw/zinc/46/54/90/944465490.db2.gz QMMANGADUYIVNM-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266015451 944632846 /nfs/dbraw/zinc/63/28/46/944632846.db2.gz FBFJGZQMLVKBEO-OAHLLOKOSA-N 2 0 295.471 1.979 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266029403 944642817 /nfs/dbraw/zinc/64/28/17/944642817.db2.gz PRVSSNNKQCURPX-GJZGRUSLSA-N 2 0 279.428 1.034 10 30 CDEERP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001266120123 944692209 /nfs/dbraw/zinc/69/22/09/944692209.db2.gz UEMMPUCQTNSMDH-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001479987548 971525336 /nfs/dbraw/zinc/52/53/36/971525336.db2.gz ZXLZCYGTLLWDMD-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001480022226 971543170 /nfs/dbraw/zinc/54/31/70/971543170.db2.gz WBLLQBCRJDFSGT-FVQBIDKESA-N 2 0 293.455 1.777 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001278520303 949691492 /nfs/dbraw/zinc/69/14/92/949691492.db2.gz DLOVGCAGHLWWED-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001480158272 971606925 /nfs/dbraw/zinc/60/69/25/971606925.db2.gz WZHPPQIXQZRPSK-FZKCQIBNSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001325920733 954142496 /nfs/dbraw/zinc/14/24/96/954142496.db2.gz MBNRJSKYCJXDTA-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001328344203 955270829 /nfs/dbraw/zinc/27/08/29/955270829.db2.gz XAQWYLXIPUFQLV-GOEBONIOSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491849718 955467707 /nfs/dbraw/zinc/46/77/07/955467707.db2.gz KYJLPJCXUYIJRV-HOTGVXAUSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492024588 955614799 /nfs/dbraw/zinc/61/47/99/955614799.db2.gz SQDGSMDSTOVHIU-GOEBONIOSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001492105689 955629802 /nfs/dbraw/zinc/62/98/02/955629802.db2.gz WTUGTRHTZCLPIM-AWEZNQCLSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001492128885 955640520 /nfs/dbraw/zinc/64/05/20/955640520.db2.gz HWXQAJADOIRIOV-CYBMUJFWSA-N 2 0 255.406 1.387 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001493846348 972124525 /nfs/dbraw/zinc/12/45/25/972124525.db2.gz FJPOOFVMHCPNOS-LBPRGKRZSA-N 2 0 288.395 1.111 10 30 CDEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001316702157 956192665 /nfs/dbraw/zinc/19/26/65/956192665.db2.gz RYPFGZOIELYDAR-OWCLPIDISA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001330020078 956236158 /nfs/dbraw/zinc/23/61/58/956236158.db2.gz GIJFHHHKFMQLSJ-DZGCQCFKSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001494053554 972168116 /nfs/dbraw/zinc/16/81/16/972168116.db2.gz CZBVWSQQCUNBAL-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001330615190 956518045 /nfs/dbraw/zinc/51/80/45/956518045.db2.gz ZVGXUEUNWQHFPR-MGPQQGTHSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001330699972 956574990 /nfs/dbraw/zinc/57/49/90/956574990.db2.gz IIMVSUKHTJFVHT-RBSFLKMASA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317103986 956960886 /nfs/dbraw/zinc/96/08/86/956960886.db2.gz CFRXBKWUIKHUOQ-APIJFGDWSA-N 2 0 279.428 1.672 10 30 CDEERP C=CCCC[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001494485299 972240105 /nfs/dbraw/zinc/24/01/05/972240105.db2.gz RJWBYJVCXHXSDO-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001331473458 957088251 /nfs/dbraw/zinc/08/82/51/957088251.db2.gz FRTMNISUPKNCRP-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001316902737 957108988 /nfs/dbraw/zinc/10/89/88/957108988.db2.gz CTXMMRCMWUIJAI-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001317063040 957237696 /nfs/dbraw/zinc/23/76/96/957237696.db2.gz XXHYPIIIUZAXJE-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001332205575 957476301 /nfs/dbraw/zinc/47/63/01/957476301.db2.gz KVCGXHYVWRAASI-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001494918828 972335792 /nfs/dbraw/zinc/33/57/92/972335792.db2.gz MVJSESLRJBWTJL-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001494988413 972364090 /nfs/dbraw/zinc/36/40/90/972364090.db2.gz ZDWXPEOQGIBSRZ-KGLIPLIRSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001319492147 958591642 /nfs/dbraw/zinc/59/16/42/958591642.db2.gz PVWGZQMDORRQFG-CYBMUJFWSA-N 2 0 299.378 1.503 10 30 CDEERP C#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001320068658 958918887 /nfs/dbraw/zinc/91/88/87/958918887.db2.gz LCYFQIXTEMBXQA-GJZGRUSLSA-N 2 0 279.428 1.130 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001321334518 959729125 /nfs/dbraw/zinc/72/91/25/959729125.db2.gz AWGUTEGXIVKKAT-ZRUQZJFASA-N 2 0 265.401 1.166 10 30 CDEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001495278595 972463548 /nfs/dbraw/zinc/46/35/48/972463548.db2.gz WWOTUUCWDXOCRY-YOEHRIQHSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001322192182 960126609 /nfs/dbraw/zinc/12/66/09/960126609.db2.gz FDOWGOKYUDUUMZ-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001340846228 963153558 /nfs/dbraw/zinc/15/35/58/963153558.db2.gz JYMXSUPADSQTKR-IGQOVBAYSA-N 2 0 279.428 1.563 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC(C(C)(C)C[NH3+])CC2)CCC[NH2+]1 ZINC001341289649 963353815 /nfs/dbraw/zinc/35/38/15/963353815.db2.gz VLUNGRLMHPGWEV-QGZVFWFLSA-N 2 0 293.455 1.908 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001341625949 963488116 /nfs/dbraw/zinc/48/81/16/963488116.db2.gz FGXGSUJNEISUIM-NSHDSACASA-N 2 0 265.744 1.698 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001448773486 967250890 /nfs/dbraw/zinc/25/08/90/967250890.db2.gz OUHFXBDDVQQDIL-OLZOCXBDSA-N 2 0 287.835 1.517 10 30 CDEERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(C#N)ccn1 ZINC001459887126 969457254 /nfs/dbraw/zinc/45/72/54/969457254.db2.gz QPTSHLJZTGFYLH-UHFFFAOYSA-N 2 0 287.411 1.023 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC001464380941 969785101 /nfs/dbraw/zinc/78/51/01/969785101.db2.gz ZCFONDHWUZVMNI-CQSZACIVSA-N 2 0 269.433 1.731 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001522169929 970406172 /nfs/dbraw/zinc/40/61/72/970406172.db2.gz CGQAGTWLEXNUOR-NEPJUHHUSA-N 2 0 251.374 1.071 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001496361023 972896786 /nfs/dbraw/zinc/89/67/86/972896786.db2.gz UVWFRXAMSXTODD-LSDHHAIUSA-N 2 0 293.455 1.424 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001497333660 973290303 /nfs/dbraw/zinc/29/03/03/973290303.db2.gz UDXWCKRFMXGJOO-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001497484394 973364261 /nfs/dbraw/zinc/36/42/61/973364261.db2.gz MJNZCNNJYGWTEV-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001499372263 974245202 /nfs/dbraw/zinc/24/52/02/974245202.db2.gz WBSUAJOZDWZSKV-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001499904487 974330400 /nfs/dbraw/zinc/33/04/00/974330400.db2.gz BYSLPLZKTMEVLQ-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001501091134 974531179 /nfs/dbraw/zinc/53/11/79/974531179.db2.gz LFUSTKKKDXOXBS-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001376175169 974592798 /nfs/dbraw/zinc/59/27/98/974592798.db2.gz QDPCWXFPXREACE-CYBMUJFWSA-N 2 0 299.846 1.661 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001502738398 974772574 /nfs/dbraw/zinc/77/25/74/974772574.db2.gz NREHXCNADOKGCR-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001505445984 974881614 /nfs/dbraw/zinc/88/16/14/974881614.db2.gz BDSIKGCPSYMUPP-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001505706384 974970457 /nfs/dbraw/zinc/97/04/57/974970457.db2.gz OTCRKLXPSQIEBR-ZIAGYGMSSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001506557810 975179319 /nfs/dbraw/zinc/17/93/19/975179319.db2.gz KDCZJLPKPSUFIG-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001507089378 975332071 /nfs/dbraw/zinc/33/20/71/975332071.db2.gz MUGFTXNNIKYGCV-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001507100708 975334572 /nfs/dbraw/zinc/33/45/72/975334572.db2.gz LLASXECXASHJSN-ZDUSSCGKSA-N 2 0 299.378 1.503 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001507292904 975400578 /nfs/dbraw/zinc/40/05/78/975400578.db2.gz MSXWWMFVZQIABC-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001508106028 975612977 /nfs/dbraw/zinc/61/29/77/975612977.db2.gz NUOWKWSOEJHTDH-UYSNPLJNSA-N 2 0 291.439 1.462 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001394668613 978225557 /nfs/dbraw/zinc/22/55/57/978225557.db2.gz JCVHBIRTLFIERM-NEPJUHHUSA-N 2 0 273.808 1.270 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001675909446 1174165274 /nfs/dbraw/zinc/16/52/74/1174165274.db2.gz IWWIIYPDXBQEID-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001676222654 1174193284 /nfs/dbraw/zinc/19/32/84/1174193284.db2.gz WKFOWUQALRHPKQ-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001676766695 1174270168 /nfs/dbraw/zinc/27/01/68/1174270168.db2.gz HNGPJCYCWIFUMS-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001676783366 1174270738 /nfs/dbraw/zinc/27/07/38/1174270738.db2.gz KRFTXRAEFGNDNE-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001676814596 1174276788 /nfs/dbraw/zinc/27/67/88/1174276788.db2.gz IKFSCCLDYHBKJU-HOCLYGCPSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001676893278 1174287456 /nfs/dbraw/zinc/28/74/56/1174287456.db2.gz IPRODDHWBYMQRU-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@H]12 ZINC001571501178 1170457174 /nfs/dbraw/zinc/45/71/74/1170457174.db2.gz NOZZXBBZSVCVHV-DOTOQJQBSA-N 2 0 289.423 1.217 10 30 CDEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001571646191 1170507366 /nfs/dbraw/zinc/50/73/66/1170507366.db2.gz KXWQZLPPZKNTBB-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001656113139 1171767801 /nfs/dbraw/zinc/76/78/01/1171767801.db2.gz RFMQDIPRIKQAAI-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000594450357 342909850 /nfs/dbraw/zinc/90/98/50/342909850.db2.gz ZEKUHZWDWFSUHV-STQMWFEESA-N 2 0 278.400 1.189 10 30 CDEERP C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C1=CC[N@H+](C)CC1 ZINC000600736635 342244291 /nfs/dbraw/zinc/24/42/91/342244291.db2.gz SLQXRTLFMXWCDL-OCCSQVGLSA-N 2 0 263.385 1.281 10 30 CDEERP CC[NH+]1CCC(C[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600717611 342244405 /nfs/dbraw/zinc/24/44/05/342244405.db2.gz BVBISPHQAZONMY-CQSZACIVSA-N 2 0 265.401 1.363 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000594456551 342911646 /nfs/dbraw/zinc/91/16/46/342911646.db2.gz QJAMVKVYFCYYNF-OLZOCXBDSA-N 2 0 266.389 1.031 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000595958739 343196078 /nfs/dbraw/zinc/19/60/78/343196078.db2.gz GYXAPQNJWJMQJB-ZNMIVQPWSA-N 2 0 292.427 1.531 10 30 CDEERP N#Cc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)o1 ZINC000600767266 349879559 /nfs/dbraw/zinc/87/95/59/349879559.db2.gz AMJDWTIHUXLVTQ-CABCVRRESA-N 2 0 275.352 1.479 10 30 CDEERP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528391860 367822065 /nfs/dbraw/zinc/82/20/65/367822065.db2.gz FTWKMNYSHOZMKO-CABCVRRESA-N 2 0 279.428 1.705 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001661748816 1172440557 /nfs/dbraw/zinc/44/05/57/1172440557.db2.gz YDIBTRSNMPOUKT-GJZGRUSLSA-N 2 0 281.444 1.587 10 30 CDEERP CC#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001662010919 1172477814 /nfs/dbraw/zinc/47/78/14/1172477814.db2.gz NSSAULDFXDLJPF-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000076734215 377489091 /nfs/dbraw/zinc/48/90/91/377489091.db2.gz MUUOWFNONWZXDQ-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP N#CCc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000574692177 335040122 /nfs/dbraw/zinc/04/01/22/335040122.db2.gz STFSXNKOZVNBNV-OKZBNKHCSA-N 2 0 299.418 1.999 10 30 CDEERP C[N@@H+](Cc1ccccc1C#N)CC1CC[NH+](CCO)CC1 ZINC000069739212 378678598 /nfs/dbraw/zinc/67/85/98/378678598.db2.gz GYOPXIVITJBWLQ-UHFFFAOYSA-N 2 0 287.407 1.694 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001662994589 1172626264 /nfs/dbraw/zinc/62/62/64/1172626264.db2.gz LMCXRJQOLNCAFS-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)[C@H](CO)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000649247871 393178533 /nfs/dbraw/zinc/17/85/33/393178533.db2.gz DQJXCFDIFNUJNU-HNNXBMFYSA-N 2 0 254.418 1.977 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000662769955 413465933 /nfs/dbraw/zinc/46/59/33/413465933.db2.gz MCYUWFVNDLQBJV-SGMGOOAPSA-N 2 0 251.374 1.071 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001665641651 1173029626 /nfs/dbraw/zinc/02/96/26/1173029626.db2.gz FEKUOFSVYGENQE-GJZGRUSLSA-N 2 0 281.444 1.681 10 30 CDEERP C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319789 414637998 /nfs/dbraw/zinc/63/79/98/414637998.db2.gz MLLQBTNWDYBQMU-GJZGRUSLSA-N 2 0 270.417 1.356 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCCC[C@H]2CCO)s1 ZINC000043683552 175091972 /nfs/dbraw/zinc/09/19/72/175091972.db2.gz NAKXUNZQFJCMNW-ZDUSSCGKSA-N 2 0 278.421 1.795 10 30 CDEERP C[N@@H+](Cc1ccc(C#CCO)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071190498 176067069 /nfs/dbraw/zinc/06/70/69/176067069.db2.gz OLZMATALTUUUSI-QGZVFWFLSA-N 2 0 272.392 1.414 10 30 CDEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N(C)Cc1cccn1C ZINC000160921157 264268095 /nfs/dbraw/zinc/26/80/95/264268095.db2.gz UWJOMUQBRWNHEU-ZDUSSCGKSA-N 2 0 277.416 1.127 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662703808 424348645 /nfs/dbraw/zinc/34/86/45/424348645.db2.gz UVDFYIFIOULUHJ-SWLSCSKDSA-N 2 0 263.385 1.038 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001667508243 1173278012 /nfs/dbraw/zinc/27/80/12/1173278012.db2.gz HKCSGFBXOZDYNL-HUUCEWRRSA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001671805909 1173713658 /nfs/dbraw/zinc/71/36/58/1173713658.db2.gz ZSUURFJRBMWGBG-MRXNPFEDSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001672439266 1173773639 /nfs/dbraw/zinc/77/36/39/1173773639.db2.gz YEYNJPQLQZTUKB-GASCZTMLSA-N 2 0 279.428 1.295 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001690587781 1175514243 /nfs/dbraw/zinc/51/42/43/1175514243.db2.gz XYQMIPBSHHDNJR-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP CC[NH+]=C(NC1CCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262753239 330029325 /nfs/dbraw/zinc/02/93/25/330029325.db2.gz AKEAQRSEFMIQFQ-CQSZACIVSA-N 2 0 262.401 1.451 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691476586 1159335492 /nfs/dbraw/zinc/33/54/92/1159335492.db2.gz MXIMQLCYIRGJGH-MRXNPFEDSA-N 2 0 299.434 1.823 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccccc1 ZINC001267521253 1159428482 /nfs/dbraw/zinc/42/84/82/1159428482.db2.gz RVAMWBCOKFBAMK-JKSUJKDBSA-N 2 0 287.407 1.407 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001482692178 1160626487 /nfs/dbraw/zinc/62/64/87/1160626487.db2.gz GNIUVBIELLDXAB-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP CCN[C@](C)(C#N)C[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068612659 520225320 /nfs/dbraw/zinc/22/53/20/520225320.db2.gz PJVOFFRQDHQPQZ-ZBFHGGJFSA-N 2 0 280.460 1.930 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001689908918 1175302366 /nfs/dbraw/zinc/30/23/66/1175302366.db2.gz IWCIWOCEHGMLAZ-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000939806256 612976032 /nfs/dbraw/zinc/97/60/32/612976032.db2.gz FASOOOUVWKHKIE-YOEHRIQHSA-N 2 0 299.418 1.432 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002976 613781069 /nfs/dbraw/zinc/78/10/69/613781069.db2.gz RKKDMQSZBIZURD-HNNXBMFYSA-N 2 0 293.455 1.731 10 30 CDEERP Cc1cccc(NC(=[NH2+])NCCC[NH+]2CCC(O)CC2)c1 ZINC000104168425 617483724 /nfs/dbraw/zinc/48/37/24/617483724.db2.gz OKFXGMUEHYUVFD-UHFFFAOYSA-N 2 0 290.411 1.568 10 30 CDEERP C=CCOCCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925711715 617809219 /nfs/dbraw/zinc/80/92/19/617809219.db2.gz VNAAVSFPCSKSDD-RDBSUJKOSA-N 2 0 252.402 1.945 10 30 CDEERP C#CC[N@@H+](C)CCCNC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000895056314 619241081 /nfs/dbraw/zinc/24/10/81/619241081.db2.gz GLYHEDKCDQQVAZ-UHFFFAOYSA-N 2 0 296.459 1.171 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000900228156 622829443 /nfs/dbraw/zinc/82/94/43/622829443.db2.gz JZUGBGAQXPSQHJ-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)C(=C)CC[NH+](C)C)CC1 ZINC000900599556 623277654 /nfs/dbraw/zinc/27/76/54/623277654.db2.gz RRKMFZFINDJZKW-UHFFFAOYSA-N 2 0 279.428 1.651 10 30 CDEERP C=C(C)CNC(NC[C@@H]1CCC[N@H+]1C)=[NH+]C(C)(C)C ZINC000912499278 630042240 /nfs/dbraw/zinc/04/22/40/630042240.db2.gz OMHFJNOQVLHBCL-ZDUSSCGKSA-N 2 0 266.433 1.990 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001266741278 1158797397 /nfs/dbraw/zinc/79/73/97/1158797397.db2.gz PJXKAGVMEUVPIL-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001691097711 1158908063 /nfs/dbraw/zinc/90/80/63/1158908063.db2.gz QTKCNKWJNNETKN-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001266979260 1159039406 /nfs/dbraw/zinc/03/94/06/1159039406.db2.gz BEHZUIGZDVKFMQ-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001691495987 1159754418 /nfs/dbraw/zinc/75/44/18/1159754418.db2.gz GAWKEYSOZOOYIJ-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001481530118 1159770035 /nfs/dbraw/zinc/77/00/35/1159770035.db2.gz OUJYLHPXKSSFAF-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001691660922 1161441948 /nfs/dbraw/zinc/44/19/48/1161441948.db2.gz IWTYHLVPWDQPBD-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000876722854 1165901024 /nfs/dbraw/zinc/90/10/24/1165901024.db2.gz GSRLTDZLQVZTFR-RYUDHWBXSA-N 2 0 273.808 1.447 10 30 CDEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001566755819 1168409319 /nfs/dbraw/zinc/40/93/19/1168409319.db2.gz SRSGQLPHHPFILL-HRCADAONSA-N 2 0 293.455 1.968 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCC1 ZINC001569612473 1169936714 /nfs/dbraw/zinc/93/67/14/1169936714.db2.gz FAZYOZMCKGCXGR-JKSUJKDBSA-N 2 0 293.455 1.470 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001569612292 1169937223 /nfs/dbraw/zinc/93/72/23/1169937223.db2.gz ADYPMLPOWRNCFI-GDBMZVCRSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001570091916 1170075512 /nfs/dbraw/zinc/07/55/12/1170075512.db2.gz RGQIJYZQXRPEHS-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001570177714 1170103143 /nfs/dbraw/zinc/10/31/43/1170103143.db2.gz QQCWCFBHNMABCQ-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC(C)C)CC1 ZINC001570653620 1170224308 /nfs/dbraw/zinc/22/43/08/1170224308.db2.gz UDCCDXOSVJBDQI-GJZGRUSLSA-N 2 0 293.455 1.470 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001661136172 1172341936 /nfs/dbraw/zinc/34/19/36/1172341936.db2.gz FSHZDELMNYNQGQ-KBPBESRZSA-N 2 0 267.417 1.243 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001662325356 1172531123 /nfs/dbraw/zinc/53/11/23/1172531123.db2.gz PZWKWSJKGJYSEY-KBPBESRZSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001664806667 1172913428 /nfs/dbraw/zinc/91/34/28/1172913428.db2.gz ISOCDQAOBFTYCL-ZBFHGGJFSA-N 2 0 291.439 1.295 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001665810225 1173065755 /nfs/dbraw/zinc/06/57/55/1173065755.db2.gz RCMUHRMFVXHPKU-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001668864576 1173474339 /nfs/dbraw/zinc/47/43/39/1173474339.db2.gz IHRQEURZZBQSMD-SREVYHEPSA-N 2 0 265.401 1.309 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001672965795 1173813637 /nfs/dbraw/zinc/81/36/37/1173813637.db2.gz NVDSDDNSPXFFCD-SHTZXODSSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001672990834 1173816426 /nfs/dbraw/zinc/81/64/26/1173816426.db2.gz LAVQKMHZQOYDAI-SHTZXODSSA-N 2 0 291.439 1.533 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001674926392 1174037464 /nfs/dbraw/zinc/03/74/64/1174037464.db2.gz ZEMZKCPMSLYNMV-ZFWWWQNUSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001676068771 1174178133 /nfs/dbraw/zinc/17/81/33/1174178133.db2.gz JDUDXFQOBGVXDG-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001676757557 1174268023 /nfs/dbraw/zinc/26/80/23/1174268023.db2.gz ZYNTVJRWBXNVEL-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001690458942 1175475717 /nfs/dbraw/zinc/47/57/17/1175475717.db2.gz JMEQEJPAWKFCJD-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001690501586 1175483898 /nfs/dbraw/zinc/48/38/98/1175483898.db2.gz NAJUEPKGNJDTEZ-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001690650782 1175536890 /nfs/dbraw/zinc/53/68/90/1175536890.db2.gz RNDVFTYQXWVZBF-CYBMUJFWSA-N 2 0 253.390 1.143 10 30 CDEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001692205504 1175700256 /nfs/dbraw/zinc/70/02/56/1175700256.db2.gz IYXGPURBZYTPKR-ILXRZTDVSA-N 2 0 297.443 1.108 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001698919618 1175985219 /nfs/dbraw/zinc/98/52/19/1175985219.db2.gz CSRYLXKHJPHMEW-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001698945230 1175991428 /nfs/dbraw/zinc/99/14/28/1175991428.db2.gz GNWRHTBBDGHQFO-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001698991724 1176019980 /nfs/dbraw/zinc/01/99/80/1176019980.db2.gz UANYCXUNXJHMCO-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699329364 1176239600 /nfs/dbraw/zinc/23/96/00/1176239600.db2.gz UGDUNRJZOIWUAZ-VOTSOKGWSA-N 2 0 291.439 1.392 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001699387962 1176346171 /nfs/dbraw/zinc/34/61/71/1176346171.db2.gz LNYSQJKEUBQAIW-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001699409888 1176376073 /nfs/dbraw/zinc/37/60/73/1176376073.db2.gz CNMDBFXYDNDFPN-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001699634603 1176530514 /nfs/dbraw/zinc/53/05/14/1176530514.db2.gz SHRJCLHVJAIGTB-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001700099858 1176746694 /nfs/dbraw/zinc/74/66/94/1176746694.db2.gz RNBAMAZHJGUXGJ-YOEHRIQHSA-N 2 0 299.418 1.538 10 30 CDEERP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)Cc1cncn1C ZINC001700194138 1176792428 /nfs/dbraw/zinc/79/24/28/1176792428.db2.gz JZRIYAYZOKKKPS-UHFFFAOYSA-N 2 0 292.427 1.709 10 30 CDEERP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001700574210 1177021324 /nfs/dbraw/zinc/02/13/24/1177021324.db2.gz NADFLOQNGWUHRS-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001700753552 1177115360 /nfs/dbraw/zinc/11/53/60/1177115360.db2.gz XZQSASGUSZPERG-DZGCQCFKSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001700899629 1177187514 /nfs/dbraw/zinc/18/75/14/1177187514.db2.gz COKOKEMEIAYZIW-GOEBONIOSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001700905650 1177190680 /nfs/dbraw/zinc/19/06/80/1177190680.db2.gz SZCSUPDQURDZMH-CVEARBPZSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001707083042 1177945050 /nfs/dbraw/zinc/94/50/50/1177945050.db2.gz ZUXIZIYEJJIPOE-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[N@@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001707416900 1178031465 /nfs/dbraw/zinc/03/14/65/1178031465.db2.gz SLSJYOUOSNLULD-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713085696 1178357779 /nfs/dbraw/zinc/35/77/79/1178357779.db2.gz ADVLTUYXDAHFCU-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001713086487 1178357817 /nfs/dbraw/zinc/35/78/17/1178357817.db2.gz RRACXMLGTXBBSK-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001713310573 1178489132 /nfs/dbraw/zinc/48/91/32/1178489132.db2.gz XJXXUTGMCUIPOO-KGLIPLIRSA-N 2 0 267.417 1.530 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713414114 1178547096 /nfs/dbraw/zinc/54/70/96/1178547096.db2.gz PFHMSYAFGGLPNL-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713541928 1178634897 /nfs/dbraw/zinc/63/48/97/1178634897.db2.gz PGHQVPKHHGJBCE-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP C=CCC[N@H+](CCC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713546291 1178638363 /nfs/dbraw/zinc/63/83/63/1178638363.db2.gz GLSMUYACFJBOMS-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713754907 1178739258 /nfs/dbraw/zinc/73/92/58/1178739258.db2.gz QOCHZUZEENIPLA-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001713836786 1178786529 /nfs/dbraw/zinc/78/65/29/1178786529.db2.gz SCHNVAKEIXKCAN-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713932302 1178860752 /nfs/dbraw/zinc/86/07/52/1178860752.db2.gz KQZIUDOMGVDRDJ-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714002787 1178921496 /nfs/dbraw/zinc/92/14/96/1178921496.db2.gz KELWHYLFJJOFJC-BETUJISGSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001714014055 1178928873 /nfs/dbraw/zinc/92/88/73/1178928873.db2.gz KREMZTUUUFUDAX-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714469729 1179157126 /nfs/dbraw/zinc/15/71/26/1179157126.db2.gz QZIJUVDPKBQJGH-CABCVRRESA-N 2 0 279.428 1.367 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001714482650 1179163761 /nfs/dbraw/zinc/16/37/61/1179163761.db2.gz VDFRZRSWQMBZGU-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)C[N@H+](CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714655219 1179301709 /nfs/dbraw/zinc/30/17/09/1179301709.db2.gz YPZSETJSCZPLGB-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001715099909 1179551033 /nfs/dbraw/zinc/55/10/33/1179551033.db2.gz JXIUZRAKOIDYBI-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001715376696 1179649127 /nfs/dbraw/zinc/64/91/27/1179649127.db2.gz ODJCHXROSCVROU-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001716398491 1180186819 /nfs/dbraw/zinc/18/68/19/1180186819.db2.gz XIIFFTANLZNVCS-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001716419321 1180196332 /nfs/dbraw/zinc/19/63/32/1180196332.db2.gz ZKRXCAMJJKXXDQ-ZBFHGGJFSA-N 2 0 287.407 1.407 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001716777416 1180411654 /nfs/dbraw/zinc/41/16/54/1180411654.db2.gz LBGYUJZWCRGBGC-HUUCEWRRSA-N 2 0 277.412 1.073 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001717096732 1180530720 /nfs/dbraw/zinc/53/07/20/1180530720.db2.gz JHLLZUGODMJRJB-JYJNAYRXSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001717111151 1180532611 /nfs/dbraw/zinc/53/26/11/1180532611.db2.gz MKHNMUCIZKGWMX-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH]cn1 ZINC001717412677 1180659450 /nfs/dbraw/zinc/65/94/50/1180659450.db2.gz JSRDNIFUCSPYGM-QWRGUYRKSA-N 2 0 250.346 1.011 10 30 CDEERP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001717543046 1180729881 /nfs/dbraw/zinc/72/98/81/1180729881.db2.gz QIIFDQJYZCGKQM-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001717652172 1180776092 /nfs/dbraw/zinc/77/60/92/1180776092.db2.gz HAVCJNJGOGRPGE-KLHDSHLOSA-N 2 0 293.455 1.920 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001717966076 1180951357 /nfs/dbraw/zinc/95/13/57/1180951357.db2.gz BNHIJJKFGSRJBA-CYBMUJFWSA-N 2 0 267.417 1.082 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001724754491 1181740787 /nfs/dbraw/zinc/74/07/87/1181740787.db2.gz GRJZLAYJDZSLBE-BZUAXINKSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001725315074 1181960854 /nfs/dbraw/zinc/96/08/54/1181960854.db2.gz XWQGRBWSONUFCJ-QKDCVEJESA-N 2 0 291.439 1.341 10 30 CDEERP C#CCC[N@@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001725427307 1181995554 /nfs/dbraw/zinc/99/55/54/1181995554.db2.gz MWYPYXVBWLBYNT-UHFFFAOYSA-N 2 0 277.412 1.028 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001725496528 1182024686 /nfs/dbraw/zinc/02/46/86/1182024686.db2.gz DQBXSZLZZBBOOJ-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001725520605 1182034527 /nfs/dbraw/zinc/03/45/27/1182034527.db2.gz DQHKZRWEWSROLZ-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001725629203 1182078269 /nfs/dbraw/zinc/07/82/69/1182078269.db2.gz MDDGZJNBYDTOCX-ZMSDIMECSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001731394121 1182357157 /nfs/dbraw/zinc/35/71/57/1182357157.db2.gz WPVZHXFXWBJUSU-KBPBESRZSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001731557272 1182446812 /nfs/dbraw/zinc/44/68/12/1182446812.db2.gz FJRLFPOUIHJKDH-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001731635294 1182493386 /nfs/dbraw/zinc/49/33/86/1182493386.db2.gz UTZVQVPKQJHVTG-UONOGXRCSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001731814015 1182601466 /nfs/dbraw/zinc/60/14/66/1182601466.db2.gz IZNJUGHVWAKZKA-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001732001683 1182720203 /nfs/dbraw/zinc/72/02/03/1182720203.db2.gz WVCYFDNBDBXCTJ-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001732437153 1182964803 /nfs/dbraw/zinc/96/48/03/1182964803.db2.gz ADHJEEIDUCKSJA-ZDUSSCGKSA-N 2 0 269.433 1.587 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001733013292 1183237031 /nfs/dbraw/zinc/23/70/31/1183237031.db2.gz AXJJZGKVMSJUHO-BBRMVZONSA-N 2 0 299.434 1.869 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001733901203 1183563247 /nfs/dbraw/zinc/56/32/47/1183563247.db2.gz NGKCJBZNSFVSEI-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001734061248 1183641997 /nfs/dbraw/zinc/64/19/97/1183641997.db2.gz YMMSRHBKPLWHIQ-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001734127134 1183668247 /nfs/dbraw/zinc/66/82/47/1183668247.db2.gz XYODNDOMYFWARH-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001734262543 1183707406 /nfs/dbraw/zinc/70/74/06/1183707406.db2.gz ZEHXUBNDJQBUBN-RDJZCZTQSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001734395627 1183761565 /nfs/dbraw/zinc/76/15/65/1183761565.db2.gz OJRQDVBXGYZFGD-HIFRSBDPSA-N 2 0 279.428 1.626 10 30 CDEERP C#C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CCOCC1 ZINC000827565075 728832476 /nfs/dbraw/zinc/83/24/76/728832476.db2.gz IUCYYWUNJHEVSN-KRWDZBQOSA-N 2 0 276.424 1.879 10 30 CDEERP COCC[N@H+](C)CCCNC(=[NH2+])Nc1cccc(C)c1 ZINC000303886952 729169750 /nfs/dbraw/zinc/16/97/50/729169750.db2.gz KOTGGOPGBAAKOK-UHFFFAOYSA-N 2 0 278.400 1.690 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH+](CC)CC ZINC000876708693 729297873 /nfs/dbraw/zinc/29/78/73/729297873.db2.gz XZNFDJFPXDNFHQ-NSHDSACASA-N 2 0 261.797 1.304 10 30 CDEERP C=CCC[C@@H](O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000923409856 729886261 /nfs/dbraw/zinc/88/62/61/729886261.db2.gz JWIYSEOKVABBDO-CVEARBPZSA-N 2 0 282.428 1.404 10 30 CDEERP C[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261945155 729937695 /nfs/dbraw/zinc/93/76/95/729937695.db2.gz FRXLXOIKVGCBEE-XDQVBPFNSA-N 2 0 266.433 1.536 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000876763456 729964528 /nfs/dbraw/zinc/96/45/28/729964528.db2.gz OGRWMEQTYRUNHA-CHWSQXEVSA-N 2 0 287.835 1.550 10 30 CDEERP C[N@H+]1CC=C(CNC(=[NH2+])NC2CCCCC2)CC1 ZINC000263195152 729988948 /nfs/dbraw/zinc/98/89/48/729988948.db2.gz ZXRLDSWEEPINRG-UHFFFAOYSA-N 2 0 250.390 1.485 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000876872383 730380087 /nfs/dbraw/zinc/38/00/87/730380087.db2.gz CHPZWAJFRCQING-LBPRGKRZSA-N 2 0 273.808 1.445 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001568545867 1167536125 /nfs/dbraw/zinc/53/61/25/1167536125.db2.gz UJDHQXFYZQGTOL-ZIAGYGMSSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)CC[NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001482652102 908121025 /nfs/dbraw/zinc/12/10/25/908121025.db2.gz PUXLNFDXLQKLSN-UHFFFAOYSA-N 2 0 269.433 1.683 10 30 CDEERP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001566925762 1168471646 /nfs/dbraw/zinc/47/16/46/1168471646.db2.gz OYYBDLZWFVLUCH-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567167407 1168604097 /nfs/dbraw/zinc/60/40/97/1168604097.db2.gz OHKXTFQDLCBULO-GJZGRUSLSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001483693970 912865613 /nfs/dbraw/zinc/86/56/13/912865613.db2.gz JDSQGTWFJILGLY-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001567265179 1168644461 /nfs/dbraw/zinc/64/44/61/1168644461.db2.gz RPJRODSPWUUTLN-HNNXBMFYSA-N 2 0 289.423 1.076 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001266325451 894394576 /nfs/dbraw/zinc/39/45/76/894394576.db2.gz NNAPQXYDXVCTGP-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001266423059 894797675 /nfs/dbraw/zinc/79/76/75/894797675.db2.gz ZZZVPJAVVJCGCU-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001266533485 895254965 /nfs/dbraw/zinc/25/49/65/895254965.db2.gz KQHMPDBDYOVTKV-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001266557016 895349349 /nfs/dbraw/zinc/34/93/49/895349349.db2.gz KFJYPQSQETZVEK-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC001266596502 895501559 /nfs/dbraw/zinc/50/15/59/895501559.db2.gz HHNZUGVYBBKNCT-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001266897512 896298911 /nfs/dbraw/zinc/29/89/11/896298911.db2.gz NOYJMWCJZPMXLH-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])N1CCSCC1 ZINC000261989530 896464735 /nfs/dbraw/zinc/46/47/35/896464735.db2.gz LIWYEGCOGKALSS-LBPRGKRZSA-N 2 0 270.446 1.224 10 30 CDEERP C#CCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001480920425 896939566 /nfs/dbraw/zinc/93/95/66/896939566.db2.gz PDTUUIURQKMOMQ-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001267370132 897736454 /nfs/dbraw/zinc/73/64/54/897736454.db2.gz LZQOBTRDHFACAH-QGZVFWFLSA-N 2 0 299.418 1.409 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001496233991 898441836 /nfs/dbraw/zinc/44/18/36/898441836.db2.gz PNVNVBAEFRRLHY-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[N@@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001267603298 898749106 /nfs/dbraw/zinc/74/91/06/898749106.db2.gz OVIGWFOXYYVWHW-UHFFFAOYSA-N 2 0 293.455 1.685 10 30 CDEERP CC#CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001481181919 899072729 /nfs/dbraw/zinc/07/27/29/899072729.db2.gz AMZSTPHLSOAMAX-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001267790992 899735961 /nfs/dbraw/zinc/73/59/61/899735961.db2.gz ULBNITPGMSYELT-HNNXBMFYSA-N 2 0 279.428 1.581 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001267830698 899832738 /nfs/dbraw/zinc/83/27/38/899832738.db2.gz GHVNYMDCDTUPHM-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268002667 900249153 /nfs/dbraw/zinc/24/91/53/900249153.db2.gz BZVOIVHVWUEMJO-XJKSGUPXSA-N 2 0 297.418 1.174 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001268175106 901528954 /nfs/dbraw/zinc/52/89/54/901528954.db2.gz DITRYHQGJQWQKI-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001268254893 901678676 /nfs/dbraw/zinc/67/86/76/901678676.db2.gz GMEHUDHSRUGGGD-HUUCEWRRSA-N 2 0 281.444 1.683 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001268293131 901770390 /nfs/dbraw/zinc/77/03/90/901770390.db2.gz YKMGGBAZTYJTPR-ZIAGYGMSSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001268756975 903096268 /nfs/dbraw/zinc/09/62/68/903096268.db2.gz PKXBKAOBMUVBKG-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001269250595 903607635 /nfs/dbraw/zinc/60/76/35/903607635.db2.gz GPVDGIDTTWWECN-QWHCGFSZSA-N 2 0 253.390 1.045 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001269269055 903630779 /nfs/dbraw/zinc/63/07/79/903630779.db2.gz RYKMYTRVQMEASB-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCC1 ZINC001482221367 903833530 /nfs/dbraw/zinc/83/35/30/903833530.db2.gz GIVFXAJNUZEBLQ-AWEZNQCLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001270623709 904825353 /nfs/dbraw/zinc/82/53/53/904825353.db2.gz JQVCZMKZGHNULC-CQSZACIVSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[N@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001270632633 904860747 /nfs/dbraw/zinc/86/07/47/904860747.db2.gz LYQIOOZXVNVENK-QGZVFWFLSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001482397070 905295588 /nfs/dbraw/zinc/29/55/88/905295588.db2.gz SKPFSEYALDISRT-LSDHHAIUSA-N 2 0 281.444 1.470 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001482437009 905408747 /nfs/dbraw/zinc/40/87/47/905408747.db2.gz XMUSPKCGXGAJNY-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482458251 905669171 /nfs/dbraw/zinc/66/91/71/905669171.db2.gz CAJXYZBYKARQDA-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001271517421 906495940 /nfs/dbraw/zinc/49/59/40/906495940.db2.gz DWXOWUBRFYJIEG-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001271893531 906945313 /nfs/dbraw/zinc/94/53/13/906945313.db2.gz QMFJXMZIIBRTER-ZDUSSCGKSA-N 2 0 255.406 1.245 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001271916975 906975491 /nfs/dbraw/zinc/97/54/91/906975491.db2.gz ZIZAOQYMLMRFIP-OAHLLOKOSA-N 2 0 297.443 1.014 10 30 CDEERP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001272043745 907684718 /nfs/dbraw/zinc/68/47/18/907684718.db2.gz NIIFBHXURMPARD-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)C[NH+](C)CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001482649755 908114215 /nfs/dbraw/zinc/11/42/15/908114215.db2.gz JOUZPXMQRFYVCL-GASCZTMLSA-N 2 0 281.444 1.826 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)CCC ZINC001482696950 908292517 /nfs/dbraw/zinc/29/25/17/908292517.db2.gz YMBQAEUOWWIMLZ-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482833073 908411071 /nfs/dbraw/zinc/41/10/71/908411071.db2.gz LGNXKNIGKXDQOW-GOEBONIOSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482887335 908460756 /nfs/dbraw/zinc/46/07/56/908460756.db2.gz AEJQUYKJUVUTAE-STQMWFEESA-N 2 0 287.835 1.565 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001483793867 915073507 /nfs/dbraw/zinc/07/35/07/915073507.db2.gz NBVCNAJKIKUBHO-OKILXGFUSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483955611 915243081 /nfs/dbraw/zinc/24/30/81/915243081.db2.gz MJYZEJRKCBZUOH-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC=C(C)C)CC1 ZINC001493807305 915819814 /nfs/dbraw/zinc/81/98/14/915819814.db2.gz ZJWZCSKADFNWNX-UHFFFAOYSA-N 2 0 291.439 1.346 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001485507665 917050200 /nfs/dbraw/zinc/05/02/00/917050200.db2.gz XMXMBHFWYWYURG-ZFWWWQNUSA-N 2 0 299.434 1.679 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001485820556 917939070 /nfs/dbraw/zinc/93/90/70/917939070.db2.gz QSLRRXCMQMIIIS-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001485882460 920543022 /nfs/dbraw/zinc/54/30/22/920543022.db2.gz SKYXMXKMGZGTRD-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001486133329 920737474 /nfs/dbraw/zinc/73/74/74/920737474.db2.gz AVVXANWOYVYNMA-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001486131503 920737916 /nfs/dbraw/zinc/73/79/16/920737916.db2.gz QDYAUPCPKZMFJC-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[C@@H](O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000923409858 923814842 /nfs/dbraw/zinc/81/48/42/923814842.db2.gz JWIYSEOKVABBDO-HZPDHXFCSA-N 2 0 282.428 1.404 10 30 CDEERP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001491224377 936879564 /nfs/dbraw/zinc/87/95/64/936879564.db2.gz HXJQKHZIUQCXDY-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001491508026 936926783 /nfs/dbraw/zinc/92/67/83/936926783.db2.gz ZTFUSGSULPAXEF-CQSZACIVSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001273342432 926100264 /nfs/dbraw/zinc/10/02/64/926100264.db2.gz MIXPZFNGXCDCFB-OAHLLOKOSA-N 2 0 297.443 1.111 10 30 CDEERP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001490596095 927249048 /nfs/dbraw/zinc/24/90/48/927249048.db2.gz UKYUGONJPMRBMJ-HNNXBMFYSA-N 2 0 289.423 1.075 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001490664489 927291274 /nfs/dbraw/zinc/29/12/74/927291274.db2.gz KUDHIVLXHYLBHM-RRFJBIMHSA-N 2 0 279.428 1.387 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001490741620 927315162 /nfs/dbraw/zinc/31/51/62/927315162.db2.gz JUAGCIDDEDKFIT-HZPDHXFCSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001274460497 931501674 /nfs/dbraw/zinc/50/16/74/931501674.db2.gz VWXJLHCLISWJFX-HNNXBMFYSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001274509171 931505211 /nfs/dbraw/zinc/50/52/11/931505211.db2.gz KQFQHGUBUGCWFG-NFAHFFEMSA-N 2 0 291.439 1.699 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001281952795 945232407 /nfs/dbraw/zinc/23/24/07/945232407.db2.gz PEUJOFORKQMVAA-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001276798089 941283817 /nfs/dbraw/zinc/28/38/17/941283817.db2.gz BRCUWSBTUBGTCH-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001276868205 941661235 /nfs/dbraw/zinc/66/12/35/941661235.db2.gz ZLJFZTPPIVVVRM-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001277201032 942167623 /nfs/dbraw/zinc/16/76/23/942167623.db2.gz OIDNRAIVNGNFJG-CVEARBPZSA-N 2 0 293.455 1.759 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001277259392 942253569 /nfs/dbraw/zinc/25/35/69/942253569.db2.gz MPWQXYPHYPHAPP-CQSZACIVSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001282313514 942687911 /nfs/dbraw/zinc/68/79/11/942687911.db2.gz MYNJMCPGKPNADW-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001282820226 942756505 /nfs/dbraw/zinc/75/65/05/942756505.db2.gz KMOPTGIVSMZQGM-UONOGXRCSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001283558346 942933937 /nfs/dbraw/zinc/93/39/37/942933937.db2.gz YCMNHLZCNUPEMY-HNNXBMFYSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001283617681 942949913 /nfs/dbraw/zinc/94/99/13/942949913.db2.gz KFJPDUROUYPSOU-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001284070364 943067102 /nfs/dbraw/zinc/06/71/02/943067102.db2.gz SUPFOXQPKPXFRT-YOEHRIQHSA-N 2 0 289.423 1.075 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001263179557 943777292 /nfs/dbraw/zinc/77/72/92/943777292.db2.gz QDBSQYUBCLCGCO-OBJOEFQTSA-N 2 0 251.374 1.071 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001277865091 943890816 /nfs/dbraw/zinc/89/08/16/943890816.db2.gz CWCNAYPFYQNSLS-CQSZACIVSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001264371081 944115032 /nfs/dbraw/zinc/11/50/32/944115032.db2.gz PCRNPOHEYLVEAS-HUUCEWRRSA-N 2 0 281.444 1.826 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265591497 944440118 /nfs/dbraw/zinc/44/01/18/944440118.db2.gz WBTJLXOPRQTARP-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001265711688 944478870 /nfs/dbraw/zinc/47/88/70/944478870.db2.gz NQBIDJNFUVWDEQ-LJIZCISZSA-N 2 0 291.439 1.482 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001265869773 944549897 /nfs/dbraw/zinc/54/98/97/944549897.db2.gz BJZAJFRIPPELFN-AWEZNQCLSA-N 2 0 267.417 1.533 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001266095213 944676983 /nfs/dbraw/zinc/67/69/83/944676983.db2.gz QERIIPAJUVRNGF-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001479407858 971321027 /nfs/dbraw/zinc/32/10/27/971321027.db2.gz SNXZYJWGIUJKDB-HDJSIYSDSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001278403118 947623038 /nfs/dbraw/zinc/62/30/38/947623038.db2.gz GOCRRVUNMRZXDT-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001278410688 947758078 /nfs/dbraw/zinc/75/80/78/947758078.db2.gz PFAIWJQWYKWFDQ-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001331599662 947986616 /nfs/dbraw/zinc/98/66/16/947986616.db2.gz ZLYPYFFXERAMPT-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001568998985 1169586622 /nfs/dbraw/zinc/58/66/22/1169586622.db2.gz FFUGWTIOJBVZOK-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001278973354 948443076 /nfs/dbraw/zinc/44/30/76/948443076.db2.gz SGZYUIABPQPINY-OLZOCXBDSA-N 2 0 269.433 1.633 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001279016938 948606360 /nfs/dbraw/zinc/60/63/60/948606360.db2.gz FTLLPHOFGYAYRJ-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001479988562 971525176 /nfs/dbraw/zinc/52/51/76/971525176.db2.gz RDGLPMXVQCRVRH-AWEZNQCLSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001480208939 971629052 /nfs/dbraw/zinc/62/90/52/971629052.db2.gz KBPDJUGEYRVLOE-ZNMIVQPWSA-N 2 0 277.412 1.121 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001480394849 971702601 /nfs/dbraw/zinc/70/26/01/971702601.db2.gz POCQIRXLFOCVOT-OWYFMNJBSA-N 2 0 293.455 1.728 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001278689597 951722142 /nfs/dbraw/zinc/72/21/42/951722142.db2.gz FIIMMISBSKETKK-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001569136009 1169681848 /nfs/dbraw/zinc/68/18/48/1169681848.db2.gz JRQQWALIIHEKOS-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001569173438 1169701896 /nfs/dbraw/zinc/70/18/96/1169701896.db2.gz FPXAKCAPEOWTFQ-CVEARBPZSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001329147965 955717188 /nfs/dbraw/zinc/71/71/88/955717188.db2.gz PCMJWDFAQSKTQY-KGLIPLIRSA-N 2 0 287.407 1.478 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001569246532 1169735477 /nfs/dbraw/zinc/73/54/77/1169735477.db2.gz FYIRRSMIHQUWMA-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001317493083 956699328 /nfs/dbraw/zinc/69/93/28/956699328.db2.gz SBLJEURHWYKGRD-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001316823477 956986158 /nfs/dbraw/zinc/98/61/58/956986158.db2.gz DFSZIGILPJGAFJ-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001331559980 957137504 /nfs/dbraw/zinc/13/75/04/957137504.db2.gz IBMGFYNSMVNPLZ-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001331615660 957169871 /nfs/dbraw/zinc/16/98/71/957169871.db2.gz LTFSUDWHTUXVNM-QWHCGFSZSA-N 2 0 255.406 1.339 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001331928123 957341746 /nfs/dbraw/zinc/34/17/46/957341746.db2.gz KVKCWHLMMGDORG-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317399577 957454078 /nfs/dbraw/zinc/45/40/78/957454078.db2.gz VNMGWXUGPVLSMV-KBPBESRZSA-N 2 0 267.417 1.080 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001317414307 957461125 /nfs/dbraw/zinc/46/11/25/957461125.db2.gz PZURITCGYBHMRU-GJZGRUSLSA-N 2 0 297.443 1.015 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317445689 957478762 /nfs/dbraw/zinc/47/87/62/957478762.db2.gz FEVXSPDIUKATSM-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317483335 957504246 /nfs/dbraw/zinc/50/42/46/957504246.db2.gz GDAWUOWQJFFRMU-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cnc2C)C1 ZINC001317808944 957671911 /nfs/dbraw/zinc/67/19/11/957671911.db2.gz JMUMNNMKSCIJAH-CQSZACIVSA-N 2 0 288.395 1.112 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001318412201 958089918 /nfs/dbraw/zinc/08/99/18/958089918.db2.gz HIGUBFJHPJXJKY-HUUCEWRRSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319999815 958859488 /nfs/dbraw/zinc/85/94/88/958859488.db2.gz RTCKBERPYCWLPJ-ZIAGYGMSSA-N 2 0 267.417 1.293 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001320067665 958919850 /nfs/dbraw/zinc/91/98/50/958919850.db2.gz AWIDRQZSXVUNAZ-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320154351 958975178 /nfs/dbraw/zinc/97/51/78/958975178.db2.gz NPLSIAWTJIMEBR-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001368822558 959154812 /nfs/dbraw/zinc/15/48/12/959154812.db2.gz NIEXCCZHCVKQCS-UHFFFAOYSA-N 2 0 297.830 1.319 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001495209697 972436837 /nfs/dbraw/zinc/43/68/37/972436837.db2.gz MFSOENDWCWBXHO-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001321084010 959582000 /nfs/dbraw/zinc/58/20/00/959582000.db2.gz NESJOYLXUCUSHR-NFAHFFEMSA-N 2 0 279.428 1.699 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1CC ZINC001569342671 1169772987 /nfs/dbraw/zinc/77/29/87/1169772987.db2.gz JRHZHFGNLNXVPB-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001321850026 959983780 /nfs/dbraw/zinc/98/37/80/959983780.db2.gz VKKQCKYXOBLUTN-SOUVJXGZSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)CC1CC([NH3+])C1)C(C)C ZINC001340810341 963136166 /nfs/dbraw/zinc/13/61/66/963136166.db2.gz XVYKJFSISNTYIA-GPANFISMSA-N 2 0 293.455 1.929 10 30 CDEERP C=CC[C@]1(C(=O)N(C)CCC[NH+](C)C)CCC[NH2+]1 ZINC001342883763 963850095 /nfs/dbraw/zinc/85/00/95/963850095.db2.gz OAXWHBJUSDMSNQ-CQSZACIVSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001542887184 967254228 /nfs/dbraw/zinc/25/42/28/967254228.db2.gz DNTNOAUGAAZGSD-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001355339711 969129412 /nfs/dbraw/zinc/12/94/12/969129412.db2.gz QCQSMAMHRDMGEB-VNHYZAJKSA-N 2 0 265.401 1.400 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001496364756 972900336 /nfs/dbraw/zinc/90/03/36/972900336.db2.gz UGEAXCPGTLBDFQ-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001497837555 973543914 /nfs/dbraw/zinc/54/39/14/973543914.db2.gz OORDQQUXHANDIP-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001497992046 973603352 /nfs/dbraw/zinc/60/33/52/973603352.db2.gz ARLDCFPCFXNSDF-OLZOCXBDSA-N 2 0 287.835 1.708 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001499420792 974252284 /nfs/dbraw/zinc/25/22/84/974252284.db2.gz JXIFXCLIBIZOQZ-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376964209 974830139 /nfs/dbraw/zinc/83/01/39/974830139.db2.gz DCPCUBXMXHQAGX-STQMWFEESA-N 2 0 287.835 1.708 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCF)CC1 ZINC001505760789 974984668 /nfs/dbraw/zinc/98/46/68/974984668.db2.gz OZUAKIPYDPYURK-ZIAGYGMSSA-N 2 0 297.418 1.174 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001505922316 975044571 /nfs/dbraw/zinc/04/45/71/975044571.db2.gz LTPLTVYAUUYUNJ-MELADBBJSA-N 2 0 267.417 1.339 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001506670045 975200862 /nfs/dbraw/zinc/20/08/62/975200862.db2.gz IROHTAUAIHEQLO-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001507150680 975356745 /nfs/dbraw/zinc/35/67/45/975356745.db2.gz ZRNOJGXONMVEFW-QWHCGFSZSA-N 2 0 255.406 1.339 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001507385571 975443316 /nfs/dbraw/zinc/44/33/16/975443316.db2.gz SDZYHCRNROHHNF-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001569826539 1170006651 /nfs/dbraw/zinc/00/66/51/1170006651.db2.gz STYWMJQAPHWIGR-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001674157019 1173918841 /nfs/dbraw/zinc/91/88/41/1173918841.db2.gz YRIFCVOCMFWSAN-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001674441424 1173947079 /nfs/dbraw/zinc/94/70/79/1173947079.db2.gz ZEVKKDGHPLCLRP-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001675828153 1174152866 /nfs/dbraw/zinc/15/28/66/1174152866.db2.gz XCSHGYMRDUIFTL-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC001571559978 1170477934 /nfs/dbraw/zinc/47/79/34/1170477934.db2.gz PGZGWURFTVXOQG-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001571638645 1170504656 /nfs/dbraw/zinc/50/46/56/1170504656.db2.gz VUEYJKJLTZPXKP-KBPBESRZSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000651706701 398156782 /nfs/dbraw/zinc/15/67/82/398156782.db2.gz KFGQHGUPQCWJBF-OAGGEKHMSA-N 2 0 293.455 1.908 10 30 CDEERP C[C@@H]1C[C@H](C)N(C(=O)[C@H]([NH3+])CCCCC#N)C[C@@H]1C[NH3+] ZINC000594449563 342909473 /nfs/dbraw/zinc/90/94/73/342909473.db2.gz KIAGZCIKNUYQHZ-ZOBORPQBSA-N 2 0 280.416 1.229 10 30 CDEERP COCCC[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600725546 342245162 /nfs/dbraw/zinc/24/51/62/342245162.db2.gz XSUZMYNDDKDDEL-OAHLLOKOSA-N 2 0 295.427 1.132 10 30 CDEERP N#Cc1ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595864641 343175207 /nfs/dbraw/zinc/17/52/07/343175207.db2.gz VAEIJOUGBPPVIQ-QGZVFWFLSA-N 2 0 285.391 1.589 10 30 CDEERP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000598727865 343886577 /nfs/dbraw/zinc/88/65/77/343886577.db2.gz KNNZQGKGMXABGO-CQSZACIVSA-N 2 0 272.352 1.725 10 30 CDEERP C=CCOc1ccc(C[NH2+]CCC[NH2+]CCO)cc1 ZINC000013732685 361348472 /nfs/dbraw/zinc/34/84/72/361348472.db2.gz XOAYUBUVKUKAIM-UHFFFAOYSA-N 2 0 264.369 1.313 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000186017313 364229022 /nfs/dbraw/zinc/22/90/22/364229022.db2.gz AUAUCMDQXYWHCG-UHFFFAOYSA-N 2 0 282.432 1.230 10 30 CDEERP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001661555064 1172405910 /nfs/dbraw/zinc/40/59/10/1172405910.db2.gz IMDNHXSGSZBPNA-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001661723869 1172435737 /nfs/dbraw/zinc/43/57/37/1172435737.db2.gz RHQYSUIKDXCYGD-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000342724574 374462024 /nfs/dbraw/zinc/46/20/24/374462024.db2.gz DEKHITJZHONOBY-UHFFFAOYSA-N 2 0 265.401 1.237 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001662138392 1172485752 /nfs/dbraw/zinc/48/57/52/1172485752.db2.gz JPRILVZSWAHVBL-UHFFFAOYSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001662292380 1172523429 /nfs/dbraw/zinc/52/34/29/1172523429.db2.gz DYXLCEOOBBYHJM-CQSZACIVSA-N 2 0 289.423 1.685 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@@H](C[NH2+]C)C2)CCC[NH2+]1 ZINC000662391817 412953020 /nfs/dbraw/zinc/95/30/20/412953020.db2.gz JQMFSXLFFIVLOI-DZGCQCFKSA-N 2 0 265.401 1.143 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001663014561 1172629014 /nfs/dbraw/zinc/62/90/14/1172629014.db2.gz YVXRXDCMGORFCK-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000449747340 393141438 /nfs/dbraw/zinc/14/14/38/393141438.db2.gz WLSABXBSRIOLJJ-UHFFFAOYSA-N 2 0 290.411 1.657 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000662703176 413349984 /nfs/dbraw/zinc/34/99/84/413349984.db2.gz QBNZLLYNDXDPMS-TZMCWYRMSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CCC[NH2+]1 ZINC000662770177 413468928 /nfs/dbraw/zinc/46/89/28/413468928.db2.gz MNAMVFGOQKSMKC-UKRRQHHQSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001665686142 1173038535 /nfs/dbraw/zinc/03/85/35/1173038535.db2.gz DKHGDWRDIIGGMN-OAHLLOKOSA-N 2 0 279.428 1.581 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CCC)C2)CCC[NH2+]1 ZINC000662910263 413691429 /nfs/dbraw/zinc/69/14/29/413691429.db2.gz MZERZCVLQOBGIZ-HIFRSBDPSA-N 2 0 265.401 1.285 10 30 CDEERP C=CCOCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665263678 413989393 /nfs/dbraw/zinc/98/93/93/413989393.db2.gz RRGMTSMEXSYQPJ-RBSFLKMASA-N 2 0 268.401 1.326 10 30 CDEERP C[NH+](C)CC1CC[NH+](Cc2sccc2C#CCO)CC1 ZINC000043679811 175090523 /nfs/dbraw/zinc/09/05/23/175090523.db2.gz ZKTQBYTWRBKMNG-UHFFFAOYSA-N 2 0 292.448 1.866 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001666314475 1173125908 /nfs/dbraw/zinc/12/59/08/1173125908.db2.gz HCFOVRLXFKOKBG-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001666318521 1173126066 /nfs/dbraw/zinc/12/60/66/1173126066.db2.gz HGGOCLKYXBRMSH-RBSFLKMASA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[C@@]1(C(=O)N(C)CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662820846 424508474 /nfs/dbraw/zinc/50/84/74/424508474.db2.gz DDBBVHTVMPPTIH-INIZCTEOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[C@]1(C(=O)NCCC[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000662783304 424460205 /nfs/dbraw/zinc/46/02/05/424460205.db2.gz DUHHDUCBCDAGQL-DZGCQCFKSA-N 2 0 265.401 1.333 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001667459893 1173270955 /nfs/dbraw/zinc/27/09/55/1173270955.db2.gz WSUKQBBYRSTRNS-JKSUJKDBSA-N 2 0 293.455 1.635 10 30 CDEERP C=CC[N@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@H]21 ZINC001667693964 1173311125 /nfs/dbraw/zinc/31/11/25/1173311125.db2.gz KQCCZHHVVPHLIS-LSDHHAIUSA-N 2 0 291.439 1.437 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001668326704 1173397293 /nfs/dbraw/zinc/39/72/93/1173397293.db2.gz UQNWBRIFLCBWTH-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C[NH+]=C(NC1CCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000262807225 330033013 /nfs/dbraw/zinc/03/30/13/330033013.db2.gz TXAUSUPVVURREW-CYBMUJFWSA-N 2 0 294.443 1.205 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccccc1 ZINC001267521250 1159428199 /nfs/dbraw/zinc/42/81/99/1159428199.db2.gz RVAMWBCOKFBAMK-HZPDHXFCSA-N 2 0 287.407 1.407 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699403710 1176369298 /nfs/dbraw/zinc/36/92/98/1176369298.db2.gz JLAUWLBRGUJKER-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001268717250 1160007300 /nfs/dbraw/zinc/00/73/00/1160007300.db2.gz UUOJFBZVHIYXRY-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482337226 1160158447 /nfs/dbraw/zinc/15/84/47/1160158447.db2.gz OLWPGUYORJTCEA-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001271093626 1160244845 /nfs/dbraw/zinc/24/48/45/1160244845.db2.gz QPLFTIBIPVMXCN-NSHDSACASA-N 2 0 261.797 1.127 10 30 CDEERP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001486449936 1161456185 /nfs/dbraw/zinc/45/61/85/1161456185.db2.gz VJDMINXLDXTIGV-DZGCQCFKSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH+]1CC=C(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001677621743 1174379234 /nfs/dbraw/zinc/37/92/34/1174379234.db2.gz WQSYFVUTMJFIBN-MRXNPFEDSA-N 2 0 291.439 1.653 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001689810291 1175267040 /nfs/dbraw/zinc/26/70/40/1175267040.db2.gz WLBIBSNVZLUUOE-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000934473518 617598918 /nfs/dbraw/zinc/59/89/18/617598918.db2.gz YUXCVHSHVICTDE-UONOGXRCSA-N 2 0 265.401 1.189 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000899964668 622589184 /nfs/dbraw/zinc/58/91/84/622589184.db2.gz QFIMGUCKKGLDRV-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903769352 626085696 /nfs/dbraw/zinc/08/56/96/626085696.db2.gz DKASZMSUALKBMB-ILXRZTDVSA-N 2 0 250.386 1.653 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CCOC)CC1(C)C ZINC000911909956 629642682 /nfs/dbraw/zinc/64/26/82/629642682.db2.gz AGHGEXSQJWZWEZ-UHFFFAOYSA-N 2 0 297.443 1.064 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000912733564 630185941 /nfs/dbraw/zinc/18/59/41/630185941.db2.gz VBAMREBOFYREMP-OAHLLOKOSA-N 2 0 297.443 1.064 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)Cn1cncc1C ZINC001690963545 1158503271 /nfs/dbraw/zinc/50/32/71/1158503271.db2.gz ZTTKEDZWRUUWGJ-ZDUSSCGKSA-N 2 0 278.400 1.594 10 30 CDEERP CC#CCN1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266362157 1158510207 /nfs/dbraw/zinc/51/02/07/1158510207.db2.gz YSGGHSZQIHBRQL-HZPDHXFCSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001671564890 1158670643 /nfs/dbraw/zinc/67/06/43/1158670643.db2.gz ZSSAAFPFMJKRFL-CVEARBPZSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266789921 1158829094 /nfs/dbraw/zinc/82/90/94/1158829094.db2.gz AAACAVSLKLWPGS-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001691111204 1158913292 /nfs/dbraw/zinc/91/32/92/1158913292.db2.gz AHUAYDOYMVUKHP-OKILXGFUSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001772519936 1158569638 /nfs/dbraw/zinc/56/96/38/1158569638.db2.gz JXJJTSJIACJDNL-QQFBHYJXSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001670696818 1158695430 /nfs/dbraw/zinc/69/54/30/1158695430.db2.gz QDULNIPMLWLERB-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001267563763 1159463926 /nfs/dbraw/zinc/46/39/26/1159463926.db2.gz FMGRGTUXFCPAML-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268063854 1159768183 /nfs/dbraw/zinc/76/81/83/1159768183.db2.gz NGXFHHHNNFBQPG-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001269422810 1160057639 /nfs/dbraw/zinc/05/76/39/1160057639.db2.gz LBOWZWGSZULOOU-UHFFFAOYSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001269893936 1160076362 /nfs/dbraw/zinc/07/63/62/1160076362.db2.gz XRXSMQPFYHJUOF-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001732369425 1160521488 /nfs/dbraw/zinc/52/14/88/1160521488.db2.gz GBVWKEGZVRIRIU-KGLIPLIRSA-N 2 0 267.417 1.246 10 30 CDEERP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCCC#N)[C@H](C)C1 ZINC000815071044 1164108581 /nfs/dbraw/zinc/10/85/81/1164108581.db2.gz DAFBHADAPMDKAZ-ZIAGYGMSSA-N 2 0 253.390 1.579 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876958596 1165949364 /nfs/dbraw/zinc/94/93/64/1165949364.db2.gz IDLJLOBSLINPEG-QWRGUYRKSA-N 2 0 273.808 1.445 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000876971174 1165951241 /nfs/dbraw/zinc/95/12/41/1165951241.db2.gz CABFDRLNRDIIKZ-DVVUODLYSA-N 2 0 259.781 1.042 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001566703875 1168033241 /nfs/dbraw/zinc/03/32/41/1168033241.db2.gz DAVOQDRNCVIOSU-UONOGXRCSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001565914707 1168201199 /nfs/dbraw/zinc/20/11/99/1168201199.db2.gz QWQUSBZASDMINT-ARFHVFGLSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001566528033 1168321655 /nfs/dbraw/zinc/32/16/55/1168321655.db2.gz HAVCZYPKJXOUCW-GOEBONIOSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001566593690 1168349700 /nfs/dbraw/zinc/34/97/00/1168349700.db2.gz FMEWKKGJEGCWRN-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568852037 1169518482 /nfs/dbraw/zinc/51/84/82/1169518482.db2.gz QXLRSHWETBTROX-MFHOCJEASA-N 2 0 279.428 1.555 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001569671620 1169963167 /nfs/dbraw/zinc/96/31/67/1169963167.db2.gz QUBUDMXXESTVFC-HOCLYGCPSA-N 2 0 297.418 1.128 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001570123087 1170087197 /nfs/dbraw/zinc/08/71/97/1170087197.db2.gz JZNCBVCLGPHUFQ-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001571394612 1170409263 /nfs/dbraw/zinc/40/92/63/1170409263.db2.gz OLFBHVHVGNEEGA-ZDUSSCGKSA-N 2 0 265.401 1.237 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001571547814 1170472645 /nfs/dbraw/zinc/47/26/45/1170472645.db2.gz HFYFYDUTAHYCLK-UONOGXRCSA-N 2 0 277.412 1.143 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001661473995 1172395832 /nfs/dbraw/zinc/39/58/32/1172395832.db2.gz TVKBELPBEUZGSH-KKUMJFAQSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001662790268 1172594078 /nfs/dbraw/zinc/59/40/78/1172594078.db2.gz FRMHXLBINLLKKT-CABCVRRESA-N 2 0 291.439 1.675 10 30 CDEERP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001662899069 1172612863 /nfs/dbraw/zinc/61/28/63/1172612863.db2.gz PPBJGZYHHGGSTH-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001666787334 1173186158 /nfs/dbraw/zinc/18/61/58/1173186158.db2.gz RKQJBNVGEMRLCF-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001667344542 1173256156 /nfs/dbraw/zinc/25/61/56/1173256156.db2.gz DHYRANGVAQHSRA-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001672209494 1173751863 /nfs/dbraw/zinc/75/18/63/1173751863.db2.gz OZHBTBJZVPFARO-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001689960442 1175323240 /nfs/dbraw/zinc/32/32/40/1175323240.db2.gz MGNVTIKYFYJWBJ-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001690164687 1175391505 /nfs/dbraw/zinc/39/15/05/1175391505.db2.gz LHRUOZCBWBDOLZ-HOTGVXAUSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001690284387 1175424845 /nfs/dbraw/zinc/42/48/45/1175424845.db2.gz XHCCSNZWRKFWQM-SHTZXODSSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001690751605 1175563600 /nfs/dbraw/zinc/56/36/00/1175563600.db2.gz ORRPCYKPEUKDBW-OAHLLOKOSA-N 2 0 291.439 1.487 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001690788599 1175573170 /nfs/dbraw/zinc/57/31/70/1175573170.db2.gz STSWAEDDPTZBIR-LSDHHAIUSA-N 2 0 277.412 1.123 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001690881559 1175598716 /nfs/dbraw/zinc/59/87/16/1175598716.db2.gz WTCWETLZMQBZBA-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691861135 1175638461 /nfs/dbraw/zinc/63/84/61/1175638461.db2.gz QYVDEKYENKVQSS-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C1CCC1 ZINC001692366716 1175753220 /nfs/dbraw/zinc/75/32/20/1175753220.db2.gz JEYMQDJNPPMQHW-HOTGVXAUSA-N 2 0 291.439 1.722 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001698767760 1175925225 /nfs/dbraw/zinc/92/52/25/1175925225.db2.gz JNNACLZUSZDCNG-AWEZNQCLSA-N 2 0 281.444 1.330 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001698941399 1175990435 /nfs/dbraw/zinc/99/04/35/1175990435.db2.gz WTWSLHAUZQBMLX-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001698975545 1176002771 /nfs/dbraw/zinc/00/27/71/1176002771.db2.gz MFSSMDVIFNGKFM-AWEZNQCLSA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]21 ZINC001699021126 1176044421 /nfs/dbraw/zinc/04/44/21/1176044421.db2.gz RASBNIJXZNEJSP-CABCVRRESA-N 2 0 279.428 1.435 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001699423139 1176387195 /nfs/dbraw/zinc/38/71/95/1176387195.db2.gz VGTCEDAIZOCMCJ-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001699482727 1176439914 /nfs/dbraw/zinc/43/99/14/1176439914.db2.gz FINBLSCJNHVAKC-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001700128603 1176760344 /nfs/dbraw/zinc/76/03/44/1176760344.db2.gz JLEQWGZRQZDDBG-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001700183808 1176781530 /nfs/dbraw/zinc/78/15/30/1176781530.db2.gz HJJMJJPJJWGLIV-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001700481488 1176972641 /nfs/dbraw/zinc/97/26/41/1176972641.db2.gz SAVXOJBGRUZEBL-AWEZNQCLSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001700713291 1177087958 /nfs/dbraw/zinc/08/79/58/1177087958.db2.gz SNWUKXKEMXUGEE-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001700997126 1177231709 /nfs/dbraw/zinc/23/17/09/1177231709.db2.gz AJDQHHVIEOBXSU-ZIAGYGMSSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001707469811 1178065656 /nfs/dbraw/zinc/06/56/56/1178065656.db2.gz KJELFAGCQXLSLD-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@@H+](C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001713765847 1178743650 /nfs/dbraw/zinc/74/36/50/1178743650.db2.gz DMDNJPJKFIRVMH-UHFFFAOYSA-N 2 0 291.439 1.132 10 30 CDEERP C=CC[NH+]1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CCC)C1 ZINC001714050907 1178946882 /nfs/dbraw/zinc/94/68/82/1178946882.db2.gz WMCNKTHSQMTCDK-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001714080428 1178963656 /nfs/dbraw/zinc/96/36/56/1178963656.db2.gz VPWPWHILCMKZHZ-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001714080427 1178964026 /nfs/dbraw/zinc/96/40/26/1178964026.db2.gz VPWPWHILCMKZHZ-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001714236835 1179038394 /nfs/dbraw/zinc/03/83/94/1179038394.db2.gz WYVPYXYXCZKXCX-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[N@@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001714674306 1179316491 /nfs/dbraw/zinc/31/64/91/1179316491.db2.gz OFWCGLPGNIIOHZ-UHFFFAOYSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001714797560 1179402089 /nfs/dbraw/zinc/40/20/89/1179402089.db2.gz LRXXZRILRZATPW-BETUJISGSA-N 2 0 253.390 1.093 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001714880149 1179434967 /nfs/dbraw/zinc/43/49/67/1179434967.db2.gz YHJVQHHSAOKCKK-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001714978881 1179488706 /nfs/dbraw/zinc/48/87/06/1179488706.db2.gz OMTRKQNTWCYONC-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715368861 1179646073 /nfs/dbraw/zinc/64/60/73/1179646073.db2.gz KWBXRFKFMKGXCQ-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)C ZINC001715492578 1179681938 /nfs/dbraw/zinc/68/19/38/1179681938.db2.gz QQPLEXUIGPKUSD-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001715657887 1179755027 /nfs/dbraw/zinc/75/50/27/1179755027.db2.gz DOXFBLHFDCWLAC-INIZCTEOSA-N 2 0 293.455 1.472 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001715857790 1179874908 /nfs/dbraw/zinc/87/49/08/1179874908.db2.gz GFFIBEFKVAGSGH-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001716360279 1180168253 /nfs/dbraw/zinc/16/82/53/1180168253.db2.gz RWXRWDKUWMOWBR-VOTSOKGWSA-N 2 0 293.455 1.945 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001716397458 1180185753 /nfs/dbraw/zinc/18/57/53/1180185753.db2.gz QHMYWJHEIBRJTD-GFCCVEGCSA-N 2 0 293.436 1.541 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001716632401 1180315917 /nfs/dbraw/zinc/31/59/17/1180315917.db2.gz ZYDFNKYUBCNYGV-INIZCTEOSA-N 2 0 291.439 1.370 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001716661288 1180347109 /nfs/dbraw/zinc/34/71/09/1180347109.db2.gz IINCWUWLXKQWKH-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001716790992 1180416233 /nfs/dbraw/zinc/41/62/33/1180416233.db2.gz UPYFHOTWYCHQFA-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001716901666 1180458397 /nfs/dbraw/zinc/45/83/97/1180458397.db2.gz NDZMOYBCZVLKFZ-ZBFHGGJFSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001717126126 1180538663 /nfs/dbraw/zinc/53/86/63/1180538663.db2.gz WGVWYCPRCZDWNJ-BZUAXINKSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001717293647 1180607846 /nfs/dbraw/zinc/60/78/46/1180607846.db2.gz POKMVQQBXSMEGX-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001717641605 1180769799 /nfs/dbraw/zinc/76/97/99/1180769799.db2.gz OTQXKSJZVTXCIS-KKUMJFAQSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001723376990 1181544422 /nfs/dbraw/zinc/54/44/22/1181544422.db2.gz IUQCHGNEBMCOAI-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001723595384 1181590415 /nfs/dbraw/zinc/59/04/15/1181590415.db2.gz PLFLZCKUWZXIIQ-UHFFFAOYSA-N 2 0 279.428 1.677 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001723595027 1181590538 /nfs/dbraw/zinc/59/05/38/1181590538.db2.gz LQKCYXVGXFYSMU-UHFFFAOYSA-N 2 0 291.439 1.514 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001724836876 1181769737 /nfs/dbraw/zinc/76/97/37/1181769737.db2.gz JMALYWCCCZLSQX-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001725346922 1181967538 /nfs/dbraw/zinc/96/75/38/1181967538.db2.gz IUWSIJOWNXGIIJ-IYBDPMFKSA-N 2 0 279.428 1.295 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001725618174 1182073447 /nfs/dbraw/zinc/07/34/47/1182073447.db2.gz IAIWSSVGEFESQX-HRCADAONSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001731397678 1182359262 /nfs/dbraw/zinc/35/92/62/1182359262.db2.gz URRIAVNHWSIIHE-ZIAGYGMSSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)C[N@H+](CCC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001731868967 1182639786 /nfs/dbraw/zinc/63/97/86/1182639786.db2.gz OFTOFKMWSOTCFB-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[C@H](C)[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001731885485 1182652767 /nfs/dbraw/zinc/65/27/67/1182652767.db2.gz ODUJITAOFLDHFQ-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001732073200 1182751456 /nfs/dbraw/zinc/75/14/56/1182751456.db2.gz XITCBMBVHXUTGI-ZDUSSCGKSA-N 2 0 296.374 1.590 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001732426044 1182959992 /nfs/dbraw/zinc/95/99/92/1182959992.db2.gz KMPKFQUENXIZLD-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001732425271 1182960005 /nfs/dbraw/zinc/96/00/05/1182960005.db2.gz PGLFOZCCQYKTAT-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001732571264 1183015907 /nfs/dbraw/zinc/01/59/07/1183015907.db2.gz ARANMASVYNTVRV-GJZGRUSLSA-N 2 0 281.444 1.635 10 30 CDEERP C=CCC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001733069325 1183276274 /nfs/dbraw/zinc/27/62/74/1183276274.db2.gz ZUBZEYIXNMOBBZ-CYBMUJFWSA-N 2 0 255.406 1.339 10 30 CDEERP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001733289833 1183379335 /nfs/dbraw/zinc/37/93/35/1183379335.db2.gz UXDLPXWYVMKPOY-KRWDZBQOSA-N 2 0 291.439 1.276 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H](C)C1 ZINC001733334594 1183400504 /nfs/dbraw/zinc/40/05/04/1183400504.db2.gz AVTGJLOMPZUJBL-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH+]1CCC(C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001733360500 1183409250 /nfs/dbraw/zinc/40/92/50/1183409250.db2.gz VLULJDMGSXHCHI-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001733524816 1183456276 /nfs/dbraw/zinc/45/62/76/1183456276.db2.gz AATGGTSGRGTGIQ-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH+](C)CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001733780814 1183532085 /nfs/dbraw/zinc/53/20/85/1183532085.db2.gz RFIXWPDDRHOFSN-IYBDPMFKSA-N 2 0 293.455 1.663 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001734346093 1183741552 /nfs/dbraw/zinc/74/15/52/1183741552.db2.gz JKYRJMXCUQDHJQ-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001734486214 1183797772 /nfs/dbraw/zinc/79/77/72/1183797772.db2.gz HBWAAZKQPDKCAC-HOTGVXAUSA-N 2 0 291.439 1.370 10 30 CDEERP CCOCCCNC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000303894393 730562452 /nfs/dbraw/zinc/56/24/52/730562452.db2.gz OTHXUGIBSPLTSF-UHFFFAOYSA-N 2 0 284.448 1.582 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000928658726 730749736 /nfs/dbraw/zinc/74/97/36/730749736.db2.gz ZURIDXKBPOXAQA-ZNMIVQPWSA-N 2 0 291.439 1.462 10 30 CDEERP C#CCOCC[N@@H+](C)[C@@H]1CCC[NH+](CCOCC#C)CC1 ZINC000851866680 730986024 /nfs/dbraw/zinc/98/60/24/730986024.db2.gz QDMQXIDJOAROON-QGZVFWFLSA-N 2 0 292.423 1.072 10 30 CDEERP C=CC[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923386732 731065977 /nfs/dbraw/zinc/06/59/77/731065977.db2.gz RDLWOCOXPABSEJ-KBPBESRZSA-N 2 0 250.386 1.653 10 30 CDEERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCNc2ccc(C#N)cn2)C1 ZINC000925893188 731407438 /nfs/dbraw/zinc/40/74/38/731407438.db2.gz MOSNOTZABSUYTA-KBPBESRZSA-N 2 0 287.411 1.861 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000876872382 731644902 /nfs/dbraw/zinc/64/49/02/731644902.db2.gz CHPZWAJFRCQING-GFCCVEGCSA-N 2 0 273.808 1.445 10 30 CDEERP C(=NNCC[NH+]1CCCCC1)c1ccnn1-c1cc[nH+]cc1 ZINC000853291756 732143670 /nfs/dbraw/zinc/14/36/70/732143670.db2.gz OIBOSMUQAPIQDA-UHFFFAOYSA-N 2 0 298.394 1.677 10 30 CDEERP C#CC[C@H](CCOC)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858335125 732414001 /nfs/dbraw/zinc/41/40/01/732414001.db2.gz VXMAXGQFTIBHHW-KGLIPLIRSA-N 2 0 252.402 1.877 10 30 CDEERP C[NH+]=C(NCC1CC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261951547 732714052 /nfs/dbraw/zinc/71/40/52/732714052.db2.gz HNQJLRPUBHYTNH-DGCLKSJQSA-N 2 0 252.406 1.290 10 30 CDEERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000303772944 732819958 /nfs/dbraw/zinc/81/99/58/732819958.db2.gz DXEWHSCGADEAEA-HNNXBMFYSA-N 2 0 296.459 1.580 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001649448310 1167249723 /nfs/dbraw/zinc/24/97/23/1167249723.db2.gz NFANISCIBLCPJI-BFHYXJOUSA-N 2 0 267.417 1.245 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001391962287 977163980 /nfs/dbraw/zinc/16/39/80/977163980.db2.gz NGMKDQINODYFIH-LLVKDONJSA-N 2 0 273.808 1.177 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001570732589 1167583286 /nfs/dbraw/zinc/58/32/86/1167583286.db2.gz WRXQZNPDCORHIY-ZNMIVQPWSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001566878781 1168038839 /nfs/dbraw/zinc/03/88/39/1168038839.db2.gz HAUWLJLUVXLIRU-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001566903417 1168040730 /nfs/dbraw/zinc/04/07/30/1168040730.db2.gz NXNBTNTXUUXORS-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001566124788 1168243815 /nfs/dbraw/zinc/24/38/15/1168243815.db2.gz IOEBPQOTIPPAPM-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001567402170 1168738071 /nfs/dbraw/zinc/73/80/71/1168738071.db2.gz DDSSTPSLJOREPZ-HUUCEWRRSA-N 2 0 297.418 1.128 10 30 CDEERP C#CC[NH+]1CCC(N(CCC)C(=O)CC[NH+](C)C)CC1 ZINC001266390101 894659664 /nfs/dbraw/zinc/65/96/64/894659664.db2.gz KKJXWBMLLWNATQ-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CCC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001266468222 894995425 /nfs/dbraw/zinc/99/54/25/894995425.db2.gz MIBRRRZIUKTVQT-HNNXBMFYSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001266632908 895633979 /nfs/dbraw/zinc/63/39/79/895633979.db2.gz VXPBMZLGBHAZOH-BRWVUGGUSA-N 2 0 299.418 1.549 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001266852658 896192737 /nfs/dbraw/zinc/19/27/37/896192737.db2.gz UVSSCAKIHWGREJ-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001266874289 896261422 /nfs/dbraw/zinc/26/14/22/896261422.db2.gz IZIYVPLTPUUUOL-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266970362 896470079 /nfs/dbraw/zinc/47/00/79/896470079.db2.gz CPIHZCBAEUGNLN-BBRMVZONSA-N 2 0 299.434 1.869 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267089221 896738968 /nfs/dbraw/zinc/73/89/68/896738968.db2.gz CHVFZNXFOBWTPE-LSDHHAIUSA-N 2 0 289.423 1.123 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001267174399 897006029 /nfs/dbraw/zinc/00/60/29/897006029.db2.gz XTQDJNAZVVAXPB-ZFWWWQNUSA-N 2 0 279.428 1.483 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483942349 915217961 /nfs/dbraw/zinc/21/79/61/915217961.db2.gz IRPIOCJNMHQFBT-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001267332591 897616328 /nfs/dbraw/zinc/61/63/28/897616328.db2.gz GVFSTQFSBFFLGH-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)CCC)C1 ZINC001267488921 898142158 /nfs/dbraw/zinc/14/21/58/898142158.db2.gz RZJXESJBQQDODU-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001480983166 898427529 /nfs/dbraw/zinc/42/75/29/898427529.db2.gz RIUUTDOXUVLIIO-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001481018825 898504144 /nfs/dbraw/zinc/50/41/44/898504144.db2.gz SHNFVPFAUUYEAM-GASCZTMLSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001267595111 898644697 /nfs/dbraw/zinc/64/46/97/898644697.db2.gz FZEFCTZFIYLDHI-OAHLLOKOSA-N 2 0 279.428 1.130 10 30 CDEERP C=CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001481174561 899051535 /nfs/dbraw/zinc/05/15/35/899051535.db2.gz XJPQCGJJEVPCIQ-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001567688373 1168916677 /nfs/dbraw/zinc/91/66/77/1168916677.db2.gz IDGSFSHODYUYGR-HOTGVXAUSA-N 2 0 293.455 1.663 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267937126 900007865 /nfs/dbraw/zinc/00/78/65/900007865.db2.gz IDLVQBZVJZXOFL-KGLIPLIRSA-N 2 0 285.407 1.433 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001481644208 901605190 /nfs/dbraw/zinc/60/51/90/901605190.db2.gz BNGGWBDVVLTOEI-INIZCTEOSA-N 2 0 297.418 1.433 10 30 CDEERP C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268348077 901908748 /nfs/dbraw/zinc/90/87/48/901908748.db2.gz GBDOOICYXDRRFX-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001268401262 901998742 /nfs/dbraw/zinc/99/87/42/901998742.db2.gz AXWFIGOIFAHBMR-CQSZACIVSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001481882536 902261098 /nfs/dbraw/zinc/26/10/98/902261098.db2.gz SFEBJMSEVDYIAA-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001481910414 902301900 /nfs/dbraw/zinc/30/19/00/902301900.db2.gz MLRBPXUELRSTBA-UHFFFAOYSA-N 2 0 277.412 1.287 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001268487373 902354916 /nfs/dbraw/zinc/35/49/16/902354916.db2.gz FIFLFSYISFBZPM-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001482110194 902657538 /nfs/dbraw/zinc/65/75/38/902657538.db2.gz LXUNSTLRLCXTJW-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)Cn2cncc2C)C1 ZINC001269338733 903714034 /nfs/dbraw/zinc/71/40/34/903714034.db2.gz GRPUEWIBPKPBMK-HNNXBMFYSA-N 2 0 290.411 1.690 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001482229747 903900465 /nfs/dbraw/zinc/90/04/65/903900465.db2.gz HJLZTRPAFCXQOF-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C ZINC001284625994 904117980 /nfs/dbraw/zinc/11/79/80/904117980.db2.gz VJCCPPPLHZLNPW-LSDHHAIUSA-N 2 0 295.471 1.861 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001269887187 904185594 /nfs/dbraw/zinc/18/55/94/904185594.db2.gz UXTIWGKRYWRHCD-ZDUSSCGKSA-N 2 0 265.401 1.047 10 30 CDEERP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001269997760 904257432 /nfs/dbraw/zinc/25/74/32/904257432.db2.gz OXBQHNWECLVSNA-KKUMJFAQSA-N 2 0 279.428 1.223 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001270051362 904309491 /nfs/dbraw/zinc/30/94/91/904309491.db2.gz VMHIIRMRXZONSO-HRCADAONSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001270058749 904313728 /nfs/dbraw/zinc/31/37/28/904313728.db2.gz LUVHRNHBULBJMO-GJZGRUSLSA-N 2 0 297.418 1.270 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001270298405 904515596 /nfs/dbraw/zinc/51/55/96/904515596.db2.gz GETUHFYFSDDPCU-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[N@@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001270600379 904777227 /nfs/dbraw/zinc/77/72/27/904777227.db2.gz ZDQSYFKUQPJFSG-WBVHZDCISA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001270649789 904879311 /nfs/dbraw/zinc/87/93/11/904879311.db2.gz PUCJCXMSIAJSSU-HIFRSBDPSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001271759042 906781111 /nfs/dbraw/zinc/78/11/11/906781111.db2.gz LFAOLQLRWSZMRL-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001567982355 1169107575 /nfs/dbraw/zinc/10/75/75/1169107575.db2.gz JYGNZMPIOJYQLE-CQSZACIVSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000714994623 909774919 /nfs/dbraw/zinc/77/49/19/909774919.db2.gz ACIWOJFHOXLKAU-SOUVJXGZSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001568077088 1169133167 /nfs/dbraw/zinc/13/31/67/1169133167.db2.gz WIRQGNNFOJFPQD-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001568092273 1169134999 /nfs/dbraw/zinc/13/49/99/1169134999.db2.gz RRFKFARTSNANIC-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001485350748 916871530 /nfs/dbraw/zinc/87/15/30/916871530.db2.gz RBVGCLDVHOSIIA-KBPBESRZSA-N 2 0 267.417 1.177 10 30 CDEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001485433751 916964282 /nfs/dbraw/zinc/96/42/82/916964282.db2.gz BUODKESNPVZBMO-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001272837620 919889602 /nfs/dbraw/zinc/88/96/02/919889602.db2.gz KACFNWUSXSICAO-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001568281192 1169221248 /nfs/dbraw/zinc/22/12/48/1169221248.db2.gz LDVSKTHUHCSWHH-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001486392363 920975919 /nfs/dbraw/zinc/97/59/19/920975919.db2.gz ZHNHOGLYVMTOAS-UONOGXRCSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001486484306 921060669 /nfs/dbraw/zinc/06/06/69/921060669.db2.gz YTDUSGCQJAELTP-UHFFFAOYSA-N 2 0 287.835 1.658 10 30 CDEERP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923329790 923741292 /nfs/dbraw/zinc/74/12/92/923741292.db2.gz OYCOFEUHNBORRN-ILXRZTDVSA-N 2 0 252.402 1.778 10 30 CDEERP C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000923388510 923802942 /nfs/dbraw/zinc/80/29/42/923802942.db2.gz RHRUOVVHMQKLCS-CAOSSQGBSA-N 2 0 282.428 1.674 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001491457188 936919960 /nfs/dbraw/zinc/91/99/60/936919960.db2.gz OBLZJWKPRKKCFI-UKRRQHHQSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001488735097 926670634 /nfs/dbraw/zinc/67/06/34/926670634.db2.gz JGDMUXOCZFTAOB-OWCLPIDISA-N 2 0 291.439 1.367 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001489299823 926858540 /nfs/dbraw/zinc/85/85/40/926858540.db2.gz FAMOBHJRXBRBHR-PMPSAXMXSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001490309717 927109431 /nfs/dbraw/zinc/10/94/31/927109431.db2.gz MUTZXESPYYUTDM-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001490695474 927306989 /nfs/dbraw/zinc/30/69/89/927306989.db2.gz WYPVDFCHZOXFMN-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001568505990 1169339189 /nfs/dbraw/zinc/33/91/89/1169339189.db2.gz HSKBXRAGXVLTII-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)c1sccc1C[NH+](C)C ZINC001274076647 931158847 /nfs/dbraw/zinc/15/88/47/931158847.db2.gz SEDSSUJTJOGAMJ-AATRIKPKSA-N 2 0 293.436 1.871 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001293032952 931603243 /nfs/dbraw/zinc/60/32/43/931603243.db2.gz GZTOCSASQQQZCU-OAHLLOKOSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001275649628 931928314 /nfs/dbraw/zinc/92/83/14/931928314.db2.gz XFRVBHPYSBKVQU-AWEZNQCLSA-N 2 0 281.444 1.424 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](CCCC)C[NH2+]CC)CC1 ZINC001276269975 932701794 /nfs/dbraw/zinc/70/17/94/932701794.db2.gz YBLOXXVYUOLWNZ-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)C(C)C ZINC000246872776 934853023 /nfs/dbraw/zinc/85/30/23/934853023.db2.gz DDIRSWGIINPOHO-QWHCGFSZSA-N 2 0 254.422 1.667 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)CC)C1CCCC1 ZINC001278283046 945252071 /nfs/dbraw/zinc/25/20/71/945252071.db2.gz SFNZIXNJXBOFMX-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001276841072 941635484 /nfs/dbraw/zinc/63/54/84/941635484.db2.gz URSQYMKHZULILF-HRCADAONSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC001524268622 970833552 /nfs/dbraw/zinc/83/35/52/970833552.db2.gz XPXVZKNPMXRIJG-GHMZBOCLSA-N 2 0 259.781 1.057 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)CC1CC[NH+](C)CC1 ZINC001568781301 1169473576 /nfs/dbraw/zinc/47/35/76/1169473576.db2.gz AJNIDTZUAMXSOV-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001279628447 942397139 /nfs/dbraw/zinc/39/71/39/942397139.db2.gz JXEXYJUJCJOBHK-MRXNPFEDSA-N 2 0 293.455 1.897 10 30 CDEERP C#CCC[NH+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001282402906 942706486 /nfs/dbraw/zinc/70/64/86/942706486.db2.gz RJIIQUUMYGGAOT-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C[NH+](C)CCCN(CCC#N)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001362158903 970956585 /nfs/dbraw/zinc/95/65/85/970956585.db2.gz HFFCTCFYWDFIFD-AWEZNQCLSA-N 2 0 298.406 1.114 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001277597980 943091886 /nfs/dbraw/zinc/09/18/86/943091886.db2.gz NFBZJZQUNVDAGD-SQWLQELKSA-N 2 0 293.455 1.824 10 30 CDEERP C=CCC[N@@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001284544739 943205835 /nfs/dbraw/zinc/20/58/35/943205835.db2.gz KBGJRXXWGCPZOV-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001277694450 943344091 /nfs/dbraw/zinc/34/40/91/943344091.db2.gz POXCKQRAJQKBKR-OAHLLOKOSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]CCC12CCC2 ZINC001263181931 943778095 /nfs/dbraw/zinc/77/80/95/943778095.db2.gz ASYCCDRGWOAGIJ-CYBMUJFWSA-N 2 0 265.401 1.415 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001277866615 943901156 /nfs/dbraw/zinc/90/11/56/943901156.db2.gz WCVVAPPHSTUEIU-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001263880754 944019698 /nfs/dbraw/zinc/01/96/98/944019698.db2.gz YSPIXIRDSUFOPE-KLHDSHLOSA-N 2 0 293.455 1.920 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001264393974 944125754 /nfs/dbraw/zinc/12/57/54/944125754.db2.gz RTKKTEIJZCUIIK-XHSDSOJGSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001265200141 944267188 /nfs/dbraw/zinc/26/71/88/944267188.db2.gz KMRPVGDMKMQMRG-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265618901 944448188 /nfs/dbraw/zinc/44/81/88/944448188.db2.gz BVNODTFFTXEUAT-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001265674076 944465722 /nfs/dbraw/zinc/46/57/22/944465722.db2.gz RCBNDJBJMJGWOX-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001265782422 944507061 /nfs/dbraw/zinc/50/70/61/944507061.db2.gz XQWCSCHICCHNJN-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001479495937 971332978 /nfs/dbraw/zinc/33/29/78/971332978.db2.gz VBMXQOUEHJOWPI-JKSUJKDBSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC)[NH+](C)C ZINC001479573058 971343289 /nfs/dbraw/zinc/34/32/89/971343289.db2.gz VHWYSDKTKLNONO-ILXRZTDVSA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CCC=C)CC1 ZINC001568969792 1169567545 /nfs/dbraw/zinc/56/75/45/1169567545.db2.gz PRFAHMSOQHHSSW-VOTSOKGWSA-N 2 0 289.423 1.170 10 30 CDEERP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001479694095 971369421 /nfs/dbraw/zinc/36/94/21/971369421.db2.gz LDPNLRCVESMZJX-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001480666068 971830962 /nfs/dbraw/zinc/83/09/62/971830962.db2.gz RJAPAUDFVUZVBW-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001324614435 953473398 /nfs/dbraw/zinc/47/33/98/953473398.db2.gz HBQIWTOTFURUCF-BFYDXBDKSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001324774965 953570521 /nfs/dbraw/zinc/57/05/21/953570521.db2.gz FRHKAEVPUMQNTI-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001493130685 971956350 /nfs/dbraw/zinc/95/63/50/971956350.db2.gz WZUKMHIUHGRDCT-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1 ZINC001325666311 954016730 /nfs/dbraw/zinc/01/67/30/954016730.db2.gz VJWDDRVIHNFIBV-SHTZXODSSA-N 2 0 279.428 1.084 10 30 CDEERP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001325898341 954129466 /nfs/dbraw/zinc/12/94/66/954129466.db2.gz LNULZRGIFUMVEJ-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001316651823 954255592 /nfs/dbraw/zinc/25/55/92/954255592.db2.gz VVSGZPVLHLABEX-QKPAOTATSA-N 2 0 291.439 1.224 10 30 CDEERP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001327212793 954774978 /nfs/dbraw/zinc/77/49/78/954774978.db2.gz JQLLFPNOVJWXPP-HUUCEWRRSA-N 2 0 279.428 1.130 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)CCCn1ccnc1C ZINC001329145882 955717751 /nfs/dbraw/zinc/71/77/51/955717751.db2.gz JYGMJIOWPWNCNF-KGLIPLIRSA-N 2 0 290.411 1.478 10 30 CDEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001493837859 972123419 /nfs/dbraw/zinc/12/34/19/972123419.db2.gz TVGDXPTYZDFBPU-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001422259904 955900723 /nfs/dbraw/zinc/90/07/23/955900723.db2.gz HRFDWAXJVNXFQZ-STQMWFEESA-N 2 0 287.835 1.565 10 30 CDEERP C=CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001329938612 956192116 /nfs/dbraw/zinc/19/21/16/956192116.db2.gz RHCQKSNCJMWVJC-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001569257212 1169738815 /nfs/dbraw/zinc/73/88/15/1169738815.db2.gz ZNOYEDWJNBALFL-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001331490496 957098689 /nfs/dbraw/zinc/09/86/89/957098689.db2.gz GQPUITUNBARDEB-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001331648803 957186340 /nfs/dbraw/zinc/18/63/40/957186340.db2.gz QPDWHHTZHHQZOW-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001317063038 957239135 /nfs/dbraw/zinc/23/91/35/957239135.db2.gz XXHYPIIIUZAXJE-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317330198 957425577 /nfs/dbraw/zinc/42/55/77/957425577.db2.gz KHFSDIBBDMISBJ-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@H]12 ZINC001332099818 957432784 /nfs/dbraw/zinc/43/27/84/957432784.db2.gz LAGSETDOEXZDPW-RDJZCZTQSA-N 2 0 291.439 1.770 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCC[NH2+]1 ZINC001332109546 957436074 /nfs/dbraw/zinc/43/60/74/957436074.db2.gz CBRGXXFTXULEMQ-WCQYABFASA-N 2 0 287.354 1.046 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001317435833 957469596 /nfs/dbraw/zinc/46/95/96/957469596.db2.gz PDXDJHNAMOBFTG-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001332322696 957517869 /nfs/dbraw/zinc/51/78/69/957517869.db2.gz NCHHRGNVGDVXGZ-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001318445053 958107972 /nfs/dbraw/zinc/10/79/72/958107972.db2.gz IVRSUQFBKSIXBY-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(C)CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001319958415 958818523 /nfs/dbraw/zinc/81/85/23/958818523.db2.gz QDXJHLNWJLZCHY-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001320440626 959175158 /nfs/dbraw/zinc/17/51/58/959175158.db2.gz UXKZBJRWUCYQBZ-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001320465127 959188001 /nfs/dbraw/zinc/18/80/01/959188001.db2.gz XGIUQNXRPPTQJD-VXGBXAGGSA-N 2 0 275.824 1.564 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001324226664 961245377 /nfs/dbraw/zinc/24/53/77/961245377.db2.gz UVEAIKAZIGRCED-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001340846229 963153420 /nfs/dbraw/zinc/15/34/20/963153420.db2.gz JYMXSUPADSQTKR-XDQVBPFNSA-N 2 0 279.428 1.563 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001569378643 1169829994 /nfs/dbraw/zinc/82/99/94/1169829994.db2.gz WSQOWGGRPLFRQO-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001344409974 964302824 /nfs/dbraw/zinc/30/28/24/964302824.db2.gz BFYHJLAVIQJBNY-QWHCGFSZSA-N 2 0 267.417 1.564 10 30 CDEERP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1 ZINC001528459079 968855839 /nfs/dbraw/zinc/85/58/39/968855839.db2.gz ZVNNRRKNMNNDDN-BZUAXINKSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[C@@]1(C(=O)Nc2ccc3[nH]c(C[NH3+])nc3c2)CCC[NH2+]1 ZINC001523463933 970718392 /nfs/dbraw/zinc/71/83/92/970718392.db2.gz PVZSGBHSXPZITR-INIZCTEOSA-N 2 0 299.378 1.658 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001495662329 972585756 /nfs/dbraw/zinc/58/57/56/972585756.db2.gz QULSCSLUXHSGQH-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001496249245 972858254 /nfs/dbraw/zinc/85/82/54/972858254.db2.gz OKDPKWDSYAOHKW-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496299083 972879635 /nfs/dbraw/zinc/87/96/35/972879635.db2.gz GXADBEZXUBOVRT-CABCVRRESA-N 2 0 279.428 1.082 10 30 CDEERP C=CCC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001569650806 1169953989 /nfs/dbraw/zinc/95/39/89/1169953989.db2.gz ITGFLXGHOZYQTM-OAHLLOKOSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001496781655 973091952 /nfs/dbraw/zinc/09/19/52/973091952.db2.gz XEDINMLHLCMRIL-OAHLLOKOSA-N 2 0 281.444 1.520 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001496796701 973103106 /nfs/dbraw/zinc/10/31/06/973103106.db2.gz KLISLQJYFFULAD-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001498098131 973678581 /nfs/dbraw/zinc/67/85/81/973678581.db2.gz GEYFXWOTTSOARE-IHRRRGAJSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001498314202 973823980 /nfs/dbraw/zinc/82/39/80/973823980.db2.gz QDQIPKDDULERJC-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001498641598 974008584 /nfs/dbraw/zinc/00/85/84/974008584.db2.gz IWCSLKNSCGAIMR-GFCCVEGCSA-N 2 0 275.824 1.517 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001501091129 974531699 /nfs/dbraw/zinc/53/16/99/974531699.db2.gz LFUSTKKKDXOXBS-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001502145795 974707458 /nfs/dbraw/zinc/70/74/58/974707458.db2.gz YSVPEFBZSHVNSI-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502970476 974805311 /nfs/dbraw/zinc/80/53/11/974805311.db2.gz RUMPYKLTBFWPCV-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001503023143 974809445 /nfs/dbraw/zinc/80/94/45/974809445.db2.gz KVUWIGSHKXPBND-CABCVRRESA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001507287429 975398841 /nfs/dbraw/zinc/39/88/41/975398841.db2.gz AFULFGSLPNRVSU-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001507355124 975429315 /nfs/dbraw/zinc/42/93/15/975429315.db2.gz KOGBTEJFLMIDRA-VYDXJSESSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001379382850 975811249 /nfs/dbraw/zinc/81/12/49/975811249.db2.gz JTJOWCLMIBYRKS-CYBMUJFWSA-N 2 0 299.846 1.709 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001398666371 976098579 /nfs/dbraw/zinc/09/85/79/976098579.db2.gz AIOCECNAXUALGT-TXEJJXNPSA-N 2 0 273.808 1.318 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001569829367 1170008485 /nfs/dbraw/zinc/00/84/85/1170008485.db2.gz XULGVSKEPAIXIT-ZIAGYGMSSA-N 2 0 267.417 1.339 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001674907338 1174028061 /nfs/dbraw/zinc/02/80/61/1174028061.db2.gz HTTCYBWFJGSONL-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001675141160 1174079031 /nfs/dbraw/zinc/07/90/31/1174079031.db2.gz VPZVGGYTQQGBQA-JKSUJKDBSA-N 2 0 295.471 1.813 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001675801836 1174151474 /nfs/dbraw/zinc/15/14/74/1174151474.db2.gz JXJJTSJIACJDNL-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001677276699 1174344124 /nfs/dbraw/zinc/34/41/24/1174344124.db2.gz GCVVCNIUMPGNPS-CYBMUJFWSA-N 2 0 279.428 1.082 10 30 CDEERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436718 342899999 /nfs/dbraw/zinc/89/99/99/342899999.db2.gz FWIUEIDHVPWVEJ-QLFBSQMISA-N 2 0 294.443 1.634 10 30 CDEERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436679 342899450 /nfs/dbraw/zinc/89/94/50/342899450.db2.gz FJOXARVOSSRABU-RBSFLKMASA-N 2 0 294.443 1.777 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000594437455 342906110 /nfs/dbraw/zinc/90/61/10/342906110.db2.gz CFVZPSDQWWQBES-CQSZACIVSA-N 2 0 290.367 1.374 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594439358 342906536 /nfs/dbraw/zinc/90/65/36/342906536.db2.gz UVSQIFHQCFHBQT-AWEZNQCLSA-N 2 0 278.400 1.164 10 30 CDEERP CCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594436993 342903952 /nfs/dbraw/zinc/90/39/52/342903952.db2.gz HFTLFNDPYXCBFC-OAHLLOKOSA-N 2 0 294.443 1.778 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000594425487 342904375 /nfs/dbraw/zinc/90/43/75/342904375.db2.gz KKAQFIIUXGQYIX-AGIUHOORSA-N 2 0 266.389 1.031 10 30 CDEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000595058377 343000565 /nfs/dbraw/zinc/00/05/65/343000565.db2.gz AORKPQLKWFFVKK-ZNMIVQPWSA-N 2 0 266.433 1.540 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643901804 362291248 /nfs/dbraw/zinc/29/12/48/362291248.db2.gz NZYKPSZCXMAYHX-QEJZJMRPSA-N 2 0 252.402 1.897 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001661193258 1172350858 /nfs/dbraw/zinc/35/08/58/1172350858.db2.gz UPRMAYMZTVQVPH-CVEARBPZSA-N 2 0 291.439 1.224 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001661491873 1172399197 /nfs/dbraw/zinc/39/91/97/1172399197.db2.gz ZLTGALSDSALPPR-WKILWMFISA-N 2 0 291.439 1.367 10 30 CDEERP C[NH+](C)CCN1CCC([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352819977 374361135 /nfs/dbraw/zinc/36/11/35/374361135.db2.gz BPETWLVHUAVZER-UHFFFAOYSA-N 2 0 293.440 1.130 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001662516644 1172555977 /nfs/dbraw/zinc/55/59/77/1172555977.db2.gz MOBZIUXQRHZBBU-HIFRSBDPSA-N 2 0 290.411 1.737 10 30 CDEERP CC(C)(CCC#N)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000174300237 379447229 /nfs/dbraw/zinc/44/72/29/379447229.db2.gz CYMYBEUKQBOEHF-AWEZNQCLSA-N 2 0 267.417 1.753 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001662645482 1172574524 /nfs/dbraw/zinc/57/45/24/1172574524.db2.gz KBNBRJKFDAFJJT-HNNXBMFYSA-N 2 0 291.439 1.487 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001662733789 1172588783 /nfs/dbraw/zinc/58/87/83/1172588783.db2.gz VYHOBMQVJJOMIA-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C#CCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000375840378 391201065 /nfs/dbraw/zinc/20/10/65/391201065.db2.gz PCCDEKRQWAPDJO-MCIONIFRSA-N 2 0 252.427 1.815 10 30 CDEERP C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000649336483 392061081 /nfs/dbraw/zinc/06/10/81/392061081.db2.gz ZDWGPZSVTWPRKV-LSDHHAIUSA-N 2 0 270.417 1.356 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H](C2CC2)[NH+](C)C)CCC[NH2+]1 ZINC000662688297 413316611 /nfs/dbraw/zinc/31/66/11/413316611.db2.gz OJZAHYYFOSPMAH-DZGCQCFKSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H]2CCCC[N@H+]2CC)CCC[NH2+]1 ZINC000662717096 413371613 /nfs/dbraw/zinc/37/16/13/413371613.db2.gz XEEAFSCDABFTCW-GOEBONIOSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC(CC[NH2+]C)CC2)CCC[NH2+]1 ZINC000662765116 413459304 /nfs/dbraw/zinc/45/93/04/413459304.db2.gz VVNDPWZJGCXUBT-MRXNPFEDSA-N 2 0 279.428 1.533 10 30 CDEERP [NH3+]CC#Cc1ccsc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000043683553 175091981 /nfs/dbraw/zinc/09/19/81/175091981.db2.gz BDDJOORGLPLYPG-CQSZACIVSA-N 2 0 278.421 1.795 10 30 CDEERP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043684114 175092954 /nfs/dbraw/zinc/09/29/54/175092954.db2.gz XIBRSZSZMNTLRE-RYUDHWBXSA-N 2 0 291.420 1.144 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000186014729 327634477 /nfs/dbraw/zinc/63/44/77/327634477.db2.gz WCPWJAFJVFIXIG-UHFFFAOYSA-N 2 0 296.459 1.620 10 30 CDEERP C[NH+](C)C1(CNC(=[NH2+])NC[C@H]2CCCO2)CCCCCC1 ZINC000261966245 329991999 /nfs/dbraw/zinc/99/19/99/329991999.db2.gz LNNLWSIWIMOMSS-CQSZACIVSA-N 2 0 296.459 1.724 10 30 CDEERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262496798 330017803 /nfs/dbraw/zinc/01/78/03/330017803.db2.gz WUVVWQUHHFLSHN-KGLIPLIRSA-N 2 0 296.459 1.532 10 30 CDEERP C[C@H]1C[NH+]=C(NCc2ccc(C[NH+](C)C)c(F)c2)N1 ZINC000262680707 330026480 /nfs/dbraw/zinc/02/64/80/330026480.db2.gz WAGRVVPCGBYGNQ-JTQLQIEISA-N 2 0 264.348 1.325 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC12CC2 ZINC000263090478 330043134 /nfs/dbraw/zinc/04/31/34/330043134.db2.gz ISMJAHUSKFYPPM-NWDGAFQWSA-N 2 0 250.390 1.175 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1C(F)F ZINC000263191342 330048392 /nfs/dbraw/zinc/04/83/92/330048392.db2.gz YNVPDTFKFXWJIQ-GUBZILKMSA-N 2 0 260.332 1.029 10 30 CDEERP C#CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001481060512 1159507025 /nfs/dbraw/zinc/50/70/25/1159507025.db2.gz ZWJVNRRHAKWOTG-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001700183751 1176786978 /nfs/dbraw/zinc/78/69/78/1176786978.db2.gz GJOCAFCFAPUPKK-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001268743391 1160011385 /nfs/dbraw/zinc/01/13/85/1160011385.db2.gz RCFKPCJVXPXNCF-ILXRZTDVSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001271326450 1160322277 /nfs/dbraw/zinc/32/22/77/1160322277.db2.gz OWRAMGATBYQDRG-HZPDHXFCSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)C ZINC001271844150 1160365499 /nfs/dbraw/zinc/36/54/99/1160365499.db2.gz FBRPQUFACGVWDV-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP COCC#CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000677133381 482542767 /nfs/dbraw/zinc/54/27/67/482542767.db2.gz SRYLKNMMZOXDKF-UHFFFAOYSA-N 2 0 250.386 1.444 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001691664903 1161471024 /nfs/dbraw/zinc/47/10/24/1161471024.db2.gz MKIYBQMVOYMNQX-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001731699187 1182522202 /nfs/dbraw/zinc/52/22/02/1182522202.db2.gz LWCVEXXGIPZBQT-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731780077 1182572010 /nfs/dbraw/zinc/57/20/10/1182572010.db2.gz CKPXRXWLUZPKTR-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP CC[N@H+](CCOc1cccc(C#CC[NH3+])c1)C1CC1 ZINC000049608878 521149403 /nfs/dbraw/zinc/14/94/03/521149403.db2.gz PIEHLLSMFCDHPY-UHFFFAOYSA-N 2 0 258.365 1.860 10 30 CDEERP C[N@@H+]1CCCN(Cc2ccc(C#CC[NH3+])cc2F)CC1 ZINC000049608761 523810367 /nfs/dbraw/zinc/81/03/67/523810367.db2.gz TVOYZIWRZMAREW-UHFFFAOYSA-N 2 0 275.371 1.273 10 30 CDEERP [NH3+]CC#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763117 527146784 /nfs/dbraw/zinc/14/67/84/527146784.db2.gz JEKWPWBHJHDUOO-QGZVFWFLSA-N 2 0 290.382 1.873 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001689809601 1174668347 /nfs/dbraw/zinc/66/83/47/1174668347.db2.gz AZXKEQZJPFHCCP-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001689056015 1175089274 /nfs/dbraw/zinc/08/92/74/1175089274.db2.gz ORGDXWGQWSUDRJ-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1CC ZINC001689176528 1175106123 /nfs/dbraw/zinc/10/61/23/1175106123.db2.gz ALDFJTMXOBRGLO-UONOGXRCSA-N 2 0 277.412 1.073 10 30 CDEERP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001689805382 1175264463 /nfs/dbraw/zinc/26/44/63/1175264463.db2.gz AJJBHSYKFNKICL-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001690292106 1175428298 /nfs/dbraw/zinc/42/82/98/1175428298.db2.gz LONHUPIQANQCCG-SHTZXODSSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941031510 613781236 /nfs/dbraw/zinc/78/12/36/613781236.db2.gz AFBZPIWXCVVVMP-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000900204726 622800945 /nfs/dbraw/zinc/80/09/45/622800945.db2.gz OADYZRXSLBZICV-HIFRSBDPSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000900710997 623392362 /nfs/dbraw/zinc/39/23/62/623392362.db2.gz KVCSROOGGYKKGY-UHFFFAOYSA-N 2 0 285.351 1.714 10 30 CDEERP N#Cc1ccc(N[C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)nc1 ZINC000903987994 626174682 /nfs/dbraw/zinc/17/46/82/626174682.db2.gz MADRKCUONMBIMD-INIZCTEOSA-N 2 0 299.422 1.829 10 30 CDEERP C[C@@]1(CN2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]C1 ZINC000903987746 626174953 /nfs/dbraw/zinc/17/49/53/626174953.db2.gz IHNZTVIOZZOTRF-DOTOQJQBSA-N 2 0 299.422 1.829 10 30 CDEERP N#C[C@H]1C[NH2+]CC12CC(c1nc([C@H]3CCC[NH2+]3)no1)C2 ZINC000905304531 626756387 /nfs/dbraw/zinc/75/63/87/626756387.db2.gz LVZPFHMEZUSSJV-DUEVMTECSA-N 2 0 273.340 1.101 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](CC)[C@@H](C)C1 ZINC000912023233 629738771 /nfs/dbraw/zinc/73/87/71/629738771.db2.gz YURZKMZYNLGDSC-OKILXGFUSA-N 2 0 267.417 1.435 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000913759226 630745569 /nfs/dbraw/zinc/74/55/69/630745569.db2.gz KKLPPAGKARRRGT-KGLIPLIRSA-N 2 0 265.401 1.047 10 30 CDEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001772514629 1158535813 /nfs/dbraw/zinc/53/58/13/1158535813.db2.gz NDCQQKVNBQXBTM-HNNXBMFYSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001670481495 1158617837 /nfs/dbraw/zinc/61/78/37/1158617837.db2.gz YYEIXOBRUIHUFT-GJZGRUSLSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001671308326 1158722746 /nfs/dbraw/zinc/72/27/46/1158722746.db2.gz BJBPWYDYWDQLAG-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001691114777 1158916547 /nfs/dbraw/zinc/91/65/47/1158916547.db2.gz VYJMKKMYSDDKBZ-HRCADAONSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCCC)CC1 ZINC001266993977 1159072146 /nfs/dbraw/zinc/07/21/46/1159072146.db2.gz HFRDWXOKQYASPL-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001691043680 1158689522 /nfs/dbraw/zinc/68/95/22/1158689522.db2.gz VIEMMCJSVWHYBA-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001691208948 1158955607 /nfs/dbraw/zinc/95/56/07/1158955607.db2.gz LZLIKMMMKBQPHW-INIZCTEOSA-N 2 0 291.439 1.485 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268414040 1159932447 /nfs/dbraw/zinc/93/24/47/1159932447.db2.gz QCOCUNQLHBIISO-ZIAGYGMSSA-N 2 0 269.433 1.633 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001269083901 1160029042 /nfs/dbraw/zinc/02/90/42/1160029042.db2.gz HQJJBYSETBDMQD-HOTGVXAUSA-N 2 0 291.439 1.224 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001483172599 1160779422 /nfs/dbraw/zinc/77/94/22/1160779422.db2.gz TZWDFIFXXOYUEX-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001483592226 1160953723 /nfs/dbraw/zinc/95/37/23/1160953723.db2.gz LDSQDXJKKMNRDU-HOTGVXAUSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000876772712 1165913090 /nfs/dbraw/zinc/91/30/90/1165913090.db2.gz RLMJXNMEWLZCBK-GHMZBOCLSA-N 2 0 275.824 1.549 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001566625425 1168361636 /nfs/dbraw/zinc/36/16/36/1168361636.db2.gz JDWJVTUATGFKKC-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001566844858 1168442190 /nfs/dbraw/zinc/44/21/90/1168442190.db2.gz WUAYIOUKPGBKKV-QKPAOTATSA-N 2 0 291.439 1.816 10 30 CDEERP 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 1168484206 /nfs/dbraw/zinc/48/42/06/1168484206.db2.gz POCQIRXLFOCVOT-AALSBFMBSA-N 2 0 293.455 1.728 10 30 CDEERP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001567201516 1168615683 /nfs/dbraw/zinc/61/56/83/1168615683.db2.gz BUWNUFHTVSQISF-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001649462818 1169265422 /nfs/dbraw/zinc/26/54/22/1169265422.db2.gz YUMMFEQOGSXREN-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001568458725 1169298338 /nfs/dbraw/zinc/29/83/38/1169298338.db2.gz CBOQTZLILZOESY-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001569308331 1169757844 /nfs/dbraw/zinc/75/78/44/1169757844.db2.gz ZMKAPIQOZUBVMT-HZPDHXFCSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001571630327 1170501892 /nfs/dbraw/zinc/50/18/92/1170501892.db2.gz FHNLZQCTOPWTDK-AWEZNQCLSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001657017459 1171916556 /nfs/dbraw/zinc/91/65/56/1171916556.db2.gz GOQOTFBRUIHRSN-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001661724541 1172435862 /nfs/dbraw/zinc/43/58/62/1172435862.db2.gz WGOUVQKSAXEQKB-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001662722499 1172586243 /nfs/dbraw/zinc/58/62/43/1172586243.db2.gz MZJXPVGYZHGGLV-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C[NH+](C)C1CCC1 ZINC001663388884 1172687008 /nfs/dbraw/zinc/68/70/08/1172687008.db2.gz KLXKNRBPMFLRQF-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001664227810 1172828129 /nfs/dbraw/zinc/82/81/29/1172828129.db2.gz WZUOQPAICKROOA-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001664734322 1172901119 /nfs/dbraw/zinc/90/11/19/1172901119.db2.gz FAIUVAIGURSCTQ-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001664849591 1172920033 /nfs/dbraw/zinc/92/00/33/1172920033.db2.gz RTRVLSXDGFWCLK-OAHLLOKOSA-N 2 0 279.428 1.132 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001667199375 1173244594 /nfs/dbraw/zinc/24/45/94/1173244594.db2.gz ZECGTDXZDAUDOG-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001672326512 1173766304 /nfs/dbraw/zinc/76/63/04/1173766304.db2.gz CQYKQWNVUJBRAS-JKSUJKDBSA-N 2 0 295.471 1.979 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001674457867 1173948792 /nfs/dbraw/zinc/94/87/92/1173948792.db2.gz OMSHFSVDMSYZJR-CQSZACIVSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001674734396 1174001486 /nfs/dbraw/zinc/00/14/86/1174001486.db2.gz IUWHDBXGAPZNBN-KGLIPLIRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001690753163 1175563724 /nfs/dbraw/zinc/56/37/24/1175563724.db2.gz BDSPTRSLKKQLCU-HOCLYGCPSA-N 2 0 277.412 1.096 10 30 CDEERP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001691978985 1175661868 /nfs/dbraw/zinc/66/18/68/1175661868.db2.gz BWNHUAWVCLIFDQ-HOTGVXAUSA-N 2 0 291.439 1.132 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001698769307 1175924881 /nfs/dbraw/zinc/92/48/81/1175924881.db2.gz YLRBZNUUIMHUIS-KGLIPLIRSA-N 2 0 267.417 1.246 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001698891965 1175978971 /nfs/dbraw/zinc/97/89/71/1175978971.db2.gz LXKKBIWTIGTBIQ-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001698988643 1176017202 /nfs/dbraw/zinc/01/72/02/1176017202.db2.gz JQWNVDOFNGKYRN-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)C(C)(C)N1CCOCC1 ZINC001698999046 1176027928 /nfs/dbraw/zinc/02/79/28/1176027928.db2.gz BMQNQRPFUJOXDZ-UHFFFAOYSA-N 2 0 297.443 1.064 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)C1CCC1 ZINC001699267562 1176187375 /nfs/dbraw/zinc/18/73/75/1176187375.db2.gz KRLLBQRZLDMVJN-ONEGZZNKSA-N 2 0 285.819 1.485 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001699365378 1176318920 /nfs/dbraw/zinc/31/89/20/1176318920.db2.gz KMSJTBYDBDAQHL-GFCCVEGCSA-N 2 0 253.390 1.141 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001699450212 1176414707 /nfs/dbraw/zinc/41/47/07/1176414707.db2.gz JFWHPSDWELHMHR-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001699760445 1176610825 /nfs/dbraw/zinc/61/08/25/1176610825.db2.gz LCTDDJMLHLWXLK-HOTGVXAUSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001699844638 1176653923 /nfs/dbraw/zinc/65/39/23/1176653923.db2.gz BCQBBSPHDMSIPS-HNNXBMFYSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001700428992 1176924779 /nfs/dbraw/zinc/92/47/79/1176924779.db2.gz BQUZLKSOEDOLDJ-HOTGVXAUSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001700630819 1177042916 /nfs/dbraw/zinc/04/29/16/1177042916.db2.gz DOUACKGSANIJKU-KBUPBQIOSA-N 2 0 279.428 1.387 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001700840456 1177160634 /nfs/dbraw/zinc/16/06/34/1177160634.db2.gz IFHXICBIJICYIE-ZFWWWQNUSA-N 2 0 279.428 1.483 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001700849100 1177164727 /nfs/dbraw/zinc/16/47/27/1177164727.db2.gz XISXCOGBGHPIMZ-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001700882822 1177177869 /nfs/dbraw/zinc/17/78/69/1177177869.db2.gz PBEHDBLQZFYKBT-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001707269811 1177985914 /nfs/dbraw/zinc/98/59/14/1177985914.db2.gz WSGJFHLHUFNRAF-OWCLPIDISA-N 2 0 293.455 1.872 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713208758 1178432720 /nfs/dbraw/zinc/43/27/20/1178432720.db2.gz YFMXOYZYPCMHJE-GASCZTMLSA-N 2 0 279.428 1.675 10 30 CDEERP C#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001713257643 1178455530 /nfs/dbraw/zinc/45/55/30/1178455530.db2.gz HGVYRUHWDPUVIY-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001713457713 1178577054 /nfs/dbraw/zinc/57/70/54/1178577054.db2.gz LIAITSGIOXGGNH-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[N@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001713549453 1178639821 /nfs/dbraw/zinc/63/98/21/1178639821.db2.gz RSCBDGFRPNUQLC-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001713683942 1178708082 /nfs/dbraw/zinc/70/80/82/1178708082.db2.gz GDIOESDOVSFEBP-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001713906240 1178835331 /nfs/dbraw/zinc/83/53/31/1178835331.db2.gz NZICCYOHKOQJET-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001714022578 1178932162 /nfs/dbraw/zinc/93/21/62/1178932162.db2.gz URJSGRWJDYTHST-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001714093966 1178969114 /nfs/dbraw/zinc/96/91/14/1178969114.db2.gz UJBHWDHRSJUKEK-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP CC#CC[NH2+]C[C@](C)(NC(=O)CCC[NH+](C)C)C1CC1 ZINC001714170610 1179000733 /nfs/dbraw/zinc/00/07/33/1179000733.db2.gz VHCWIKVNJGDJCV-INIZCTEOSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714238288 1179039969 /nfs/dbraw/zinc/03/99/69/1179039969.db2.gz DGIQBBXEQICBCC-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001714242170 1179041575 /nfs/dbraw/zinc/04/15/75/1179041575.db2.gz WVSFBVUKXWNWEK-DZGCQCFKSA-N 2 0 279.428 1.674 10 30 CDEERP C=C(C)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001714583207 1179241365 /nfs/dbraw/zinc/24/13/65/1179241365.db2.gz JCBCVULCASGXAS-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001714649322 1179296713 /nfs/dbraw/zinc/29/67/13/1179296713.db2.gz VCMIFQYTWBWICL-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001714656356 1179303862 /nfs/dbraw/zinc/30/38/62/1179303862.db2.gz JXJDIJNETADIKC-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001714713302 1179353863 /nfs/dbraw/zinc/35/38/63/1179353863.db2.gz BVZPQGMUTSCNTQ-OAHLLOKOSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001715202519 1179575655 /nfs/dbraw/zinc/57/56/55/1179575655.db2.gz UOAFLUBIDCRKMC-GDBMZVCRSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001715416153 1179662358 /nfs/dbraw/zinc/66/23/58/1179662358.db2.gz HCBYVFVMIULYNX-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001715986333 1179964885 /nfs/dbraw/zinc/96/48/85/1179964885.db2.gz KRJOHPYEEWWZAZ-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001716357297 1180166671 /nfs/dbraw/zinc/16/66/71/1180166671.db2.gz LETTVVYFXUWEIM-SNAWJCMRSA-N 2 0 279.428 1.556 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001716375698 1180172441 /nfs/dbraw/zinc/17/24/41/1180172441.db2.gz JDLOEGZJQYPJJT-ARJAWSKDSA-N 2 0 265.401 1.310 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001716697011 1180375911 /nfs/dbraw/zinc/37/59/11/1180375911.db2.gz FJFLUANMFXMIHZ-UHFFFAOYSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001716696617 1180376491 /nfs/dbraw/zinc/37/64/91/1180376491.db2.gz PUFLNLUKZABWPP-HUUCEWRRSA-N 2 0 291.439 1.818 10 30 CDEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001716889678 1180454403 /nfs/dbraw/zinc/45/44/03/1180454403.db2.gz SPLIPHFTKNDKGO-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001716899281 1180459329 /nfs/dbraw/zinc/45/93/29/1180459329.db2.gz CROHKSSJSQDINC-KRWDZBQOSA-N 2 0 293.455 1.570 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001716975442 1180488119 /nfs/dbraw/zinc/48/81/19/1180488119.db2.gz NHIKSSPOAADQDC-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001717002856 1180498608 /nfs/dbraw/zinc/49/86/08/1180498608.db2.gz DTMJVBKPVLEETN-JYJNAYRXSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001717285604 1180604356 /nfs/dbraw/zinc/60/43/56/1180604356.db2.gz GYFVZMHASKDHHT-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001717415637 1180661239 /nfs/dbraw/zinc/66/12/39/1180661239.db2.gz LVDXQYNFYSMAJY-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001717615685 1180759615 /nfs/dbraw/zinc/75/96/15/1180759615.db2.gz MRQQFRYNIWVOMX-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001717883860 1180911930 /nfs/dbraw/zinc/91/19/30/1180911930.db2.gz FBSLQUKAJNBGET-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2ccnc2)C1 ZINC001717888179 1180914064 /nfs/dbraw/zinc/91/40/64/1180914064.db2.gz ZKXLAEBHVBUQMV-CABCVRRESA-N 2 0 290.411 1.724 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001724245829 1181658294 /nfs/dbraw/zinc/65/82/94/1181658294.db2.gz WJOQWDVFQKSAAT-RDJZCZTQSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001724271886 1181659638 /nfs/dbraw/zinc/65/96/38/1181659638.db2.gz FLECKUKMXDHJRB-KRWDZBQOSA-N 2 0 291.439 1.324 10 30 CDEERP C#CCC[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001724303096 1181662154 /nfs/dbraw/zinc/66/21/54/1181662154.db2.gz UAUJCJLIWWYNFU-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001724601844 1181701542 /nfs/dbraw/zinc/70/15/42/1181701542.db2.gz BUFAPZZMXGHHSI-UONOGXRCSA-N 2 0 267.417 1.197 10 30 CDEERP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001724659657 1181716353 /nfs/dbraw/zinc/71/63/53/1181716353.db2.gz WLGWCJCABMLRFB-LSDHHAIUSA-N 2 0 289.423 1.027 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001725127977 1181876598 /nfs/dbraw/zinc/87/65/98/1181876598.db2.gz LADSYIPSNTZFRD-KBPBESRZSA-N 2 0 287.407 1.478 10 30 CDEERP C=CCC[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001725185107 1181911264 /nfs/dbraw/zinc/91/12/64/1181911264.db2.gz JBPSYTDCMURXHT-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CC(=C)C)CC1 ZINC001725198314 1181920138 /nfs/dbraw/zinc/92/01/38/1181920138.db2.gz XKKRJVSSEURBDI-HNNXBMFYSA-N 2 0 291.439 1.344 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001725210975 1181923907 /nfs/dbraw/zinc/92/39/07/1181923907.db2.gz AFQBFQPZZZAMIF-CVEARBPZSA-N 2 0 293.455 1.424 10 30 CDEERP CC#CC[NH+]1CCC([C@H](C)NC(=O)CC[N@@H+](C)CC)CC1 ZINC001725775443 1182128495 /nfs/dbraw/zinc/12/84/95/1182128495.db2.gz JQTQIDBUYNSTLR-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001731454759 1182397445 /nfs/dbraw/zinc/39/74/45/1182397445.db2.gz BGMXUQRXWRJOID-KKUMJFAQSA-N 2 0 291.439 1.674 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001731458587 1182398826 /nfs/dbraw/zinc/39/88/26/1182398826.db2.gz ZRKYUHMGCYIQRH-WKILWMFISA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001731486670 1182414549 /nfs/dbraw/zinc/41/45/49/1182414549.db2.gz TVKBELPBEUZGSH-SOUVJXGZSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001731506755 1182424450 /nfs/dbraw/zinc/42/44/50/1182424450.db2.gz IXEUJDWOBIVKAD-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001731732014 1182538524 /nfs/dbraw/zinc/53/85/24/1182538524.db2.gz HSEUFLKLPXQHDU-ILXRZTDVSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CC2CC2)CC1 ZINC001731740189 1182542770 /nfs/dbraw/zinc/54/27/70/1182542770.db2.gz NXMBHNAALNJPLN-CQSZACIVSA-N 2 0 291.439 1.226 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001731754533 1182550810 /nfs/dbraw/zinc/55/08/10/1182550810.db2.gz PKPMTQKHQLFJAP-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001731970737 1182707326 /nfs/dbraw/zinc/70/73/26/1182707326.db2.gz JSAALTQSYUVASI-UHFFFAOYSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001732425272 1182959128 /nfs/dbraw/zinc/95/91/28/1182959128.db2.gz PGLFOZCCQYKTAT-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001732515910 1182994569 /nfs/dbraw/zinc/99/45/69/1182994569.db2.gz HIPXSJRNZHNPGF-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001733722151 1183508361 /nfs/dbraw/zinc/50/83/61/1183508361.db2.gz XXKATVQYEDRQSB-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001733761634 1183524131 /nfs/dbraw/zinc/52/41/31/1183524131.db2.gz WSZHZKKXRKAYTP-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001733812818 1183537652 /nfs/dbraw/zinc/53/76/52/1183537652.db2.gz KFDCBPTWSHWLMY-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001733880136 1183557043 /nfs/dbraw/zinc/55/70/43/1183557043.db2.gz XKCDNTRXMIZXTI-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001734456968 1183786006 /nfs/dbraw/zinc/78/60/06/1183786006.db2.gz HRKDKUNYAJDQMC-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)(C)C ZINC001734575232 1183831496 /nfs/dbraw/zinc/83/14/96/1183831496.db2.gz QLJIQMQDSKDUGV-PBHICJAKSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877339242 735343825 /nfs/dbraw/zinc/34/38/25/735343825.db2.gz WBVGIFKXJNFABS-ZIAGYGMSSA-N 2 0 293.798 1.287 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+]1CCCC[C@H]1C ZINC000303906743 736189920 /nfs/dbraw/zinc/18/99/20/736189920.db2.gz WGJOIKZXPXMBCN-CABCVRRESA-N 3 0 295.475 1.249 10 30 CDEERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000715569065 733851523 /nfs/dbraw/zinc/85/15/23/733851523.db2.gz GAZPMIKAVRIZKR-MJBXVCDLSA-N 2 0 280.416 1.387 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877256777 734003944 /nfs/dbraw/zinc/00/39/44/734003944.db2.gz DWZHGDRNKCGYJZ-SMDDNHRTSA-N 2 0 287.835 1.680 10 30 CDEERP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303909732 734140686 /nfs/dbraw/zinc/14/06/86/734140686.db2.gz YLWJQTHZOWXIFR-CHWSQXEVSA-N 2 0 254.422 1.763 10 30 CDEERP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867976713 734180245 /nfs/dbraw/zinc/18/02/45/734180245.db2.gz RQEUIOPKASYBAV-CABCVRRESA-N 2 0 298.390 1.002 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000876539466 734247845 /nfs/dbraw/zinc/24/78/45/734247845.db2.gz HJPXWKCMHFCMLA-MFKMUULPSA-N 2 0 281.787 1.792 10 30 CDEERP CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000789804285 734323215 /nfs/dbraw/zinc/32/32/15/734323215.db2.gz MDJMBWYEPYFVJK-HUUCEWRRSA-N 2 0 282.428 1.850 10 30 CDEERP CC[C@]1(C)CCN(C(NC[C@@H]2CCC[N@@H+]2C)=[NH+]C)C1 ZINC000261722708 734479790 /nfs/dbraw/zinc/47/97/90/734479790.db2.gz IOENHKRYYCNCDR-DZGCQCFKSA-N 2 0 266.433 1.778 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000876766946 734810571 /nfs/dbraw/zinc/81/05/71/734810571.db2.gz WUVPDGRTTKZTEV-VXGBXAGGSA-N 2 0 273.808 1.447 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000876794479 734862869 /nfs/dbraw/zinc/86/28/69/734862869.db2.gz AHPYHPSIXVJABV-LBPRGKRZSA-N 2 0 283.759 1.433 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000876713708 735046804 /nfs/dbraw/zinc/04/68/04/735046804.db2.gz NLOGTHRGQLAXSF-NSHDSACASA-N 2 0 259.781 1.058 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1CCC ZINC000876798483 735164954 /nfs/dbraw/zinc/16/49/54/735164954.db2.gz ZUKCLDRJYLWYLP-MNOVXSKESA-N 2 0 259.781 1.057 10 30 CDEERP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCc1cccc(C#N)c1 ZINC000866698071 735241830 /nfs/dbraw/zinc/24/18/30/735241830.db2.gz MKONSBBKSDEEAU-OAHLLOKOSA-N 2 0 261.369 1.003 10 30 CDEERP C#CCOCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879251297 735244587 /nfs/dbraw/zinc/24/45/87/735244587.db2.gz SMJAHJXPOUMENO-UHFFFAOYSA-N 2 0 250.386 1.444 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000876748375 735849514 /nfs/dbraw/zinc/84/95/14/735849514.db2.gz ABHZONNUMDEJNW-NWDGAFQWSA-N 2 0 271.792 1.153 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001570985288 1167586893 /nfs/dbraw/zinc/58/68/93/1167586893.db2.gz ABVQCLGZXLGBCC-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001565900672 1168198439 /nfs/dbraw/zinc/19/84/39/1168198439.db2.gz UJBVZUOIDQTDOQ-ARFHVFGLSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001567387226 1168722940 /nfs/dbraw/zinc/72/29/40/1168722940.db2.gz WDTXDLLNEHBOSN-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C=CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001567451117 1168774117 /nfs/dbraw/zinc/77/41/17/1168774117.db2.gz DODLWYQKRWHJFY-JKSUJKDBSA-N 2 0 291.439 1.770 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001266430710 894838939 /nfs/dbraw/zinc/83/89/39/894838939.db2.gz ALRFUHMOWLTPMU-OAHLLOKOSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001567495051 1168810468 /nfs/dbraw/zinc/81/04/68/1168810468.db2.gz UDLIREPWHUIZOO-CYBMUJFWSA-N 2 0 287.835 1.660 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001567494750 1168809584 /nfs/dbraw/zinc/80/95/84/1168809584.db2.gz MYGXWAYYTGZHQT-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266693074 895846783 /nfs/dbraw/zinc/84/67/83/895846783.db2.gz NWLJIVUUCIDRAA-BYNSBNAKSA-N 2 0 281.444 1.918 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001267044419 896627042 /nfs/dbraw/zinc/62/70/42/896627042.db2.gz RBEWTEDIJGEOOK-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001267255516 897353490 /nfs/dbraw/zinc/35/34/90/897353490.db2.gz JLSNRZYDPMCJIN-AWEZNQCLSA-N 2 0 267.417 1.034 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001267281282 897457269 /nfs/dbraw/zinc/45/72/69/897457269.db2.gz ZCUPWHWPBYJSAW-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267305745 897540303 /nfs/dbraw/zinc/54/03/03/897540303.db2.gz CGCHUSXOAWGCBK-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267305420 897542680 /nfs/dbraw/zinc/54/26/80/897542680.db2.gz ADSATQFMNBKYNV-HNNXBMFYSA-N 2 0 291.439 1.487 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001483952366 915233378 /nfs/dbraw/zinc/23/33/78/915233378.db2.gz VJTPSOPIINTOSX-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)CC[NH+](C)CC)C1 ZINC001267548540 898324937 /nfs/dbraw/zinc/32/49/37/898324937.db2.gz HWFWDNZVQYGVQZ-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001267603897 898775584 /nfs/dbraw/zinc/77/55/84/898775584.db2.gz GJUWZMQEWFMZGH-INIZCTEOSA-N 2 0 291.439 1.132 10 30 CDEERP C=CC[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001481095319 898808568 /nfs/dbraw/zinc/80/85/68/898808568.db2.gz HQCZOIQDRBZLQL-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[C@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001267714131 899353070 /nfs/dbraw/zinc/35/30/70/899353070.db2.gz XESJFKCGIUWTBW-JYJNAYRXSA-N 2 0 293.455 1.968 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001267815641 899800715 /nfs/dbraw/zinc/80/07/15/899800715.db2.gz QBCOGLDBTAWGEA-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[N@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481438740 900668121 /nfs/dbraw/zinc/66/81/21/900668121.db2.gz IDBBVXDEMWBDEW-HNNXBMFYSA-N 2 0 289.423 1.076 10 30 CDEERP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001481497628 900925508 /nfs/dbraw/zinc/92/55/08/900925508.db2.gz NYBBWSBDLRJJOL-ZDUSSCGKSA-N 2 0 287.835 1.471 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001268142661 901397562 /nfs/dbraw/zinc/39/75/62/901397562.db2.gz QKFGYINUAPSGNY-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[N@H+](C)CCC1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001268200176 901556181 /nfs/dbraw/zinc/55/61/81/901556181.db2.gz QRRUHGATWCKSBJ-UHFFFAOYSA-N 2 0 288.395 1.146 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001268226370 901605146 /nfs/dbraw/zinc/60/51/46/901605146.db2.gz IOTQMOCCYJWRFT-ZIAGYGMSSA-N 2 0 267.417 1.245 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268248755 901662066 /nfs/dbraw/zinc/66/20/66/901662066.db2.gz IZGJZPKRCKXVMX-CQSZACIVSA-N 2 0 269.433 1.539 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001481741001 901986561 /nfs/dbraw/zinc/98/65/61/901986561.db2.gz HKSPZWQFFGVDBC-JKSUJKDBSA-N 2 0 293.455 1.663 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001268673618 902933645 /nfs/dbraw/zinc/93/36/45/902933645.db2.gz IOHBTMODKWURHV-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001269489272 903853973 /nfs/dbraw/zinc/85/39/73/903853973.db2.gz LUOSBSJFAOUNAV-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001482414174 905323087 /nfs/dbraw/zinc/32/30/87/905323087.db2.gz RUNHDQYVHYZXQT-HZPDHXFCSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001271560062 906518016 /nfs/dbraw/zinc/51/80/16/906518016.db2.gz GTYMNDFVYZQKDP-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001567940279 1169083682 /nfs/dbraw/zinc/08/36/82/1169083682.db2.gz CYLRRYODHOCBQM-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C#CCC[NH+]1CCC(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001568131464 1169143380 /nfs/dbraw/zinc/14/33/80/1169143380.db2.gz HEFYAHPYTWRILN-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001483790358 915066869 /nfs/dbraw/zinc/06/68/69/915066869.db2.gz GEECHSFUTTYXCX-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001484654714 915999320 /nfs/dbraw/zinc/99/93/20/915999320.db2.gz VQNURXNKRIAXPV-CABCVRRESA-N 2 0 291.439 1.818 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001484724007 916082522 /nfs/dbraw/zinc/08/25/22/916082522.db2.gz MDBXEPGIJRSZRZ-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001485050750 916434216 /nfs/dbraw/zinc/43/42/16/916434216.db2.gz PEUJOFORKQMVAA-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001485168406 916606651 /nfs/dbraw/zinc/60/66/51/916606651.db2.gz JDCMFVWLDWTGCQ-CHWSQXEVSA-N 2 0 298.390 1.762 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001485195134 916657689 /nfs/dbraw/zinc/65/76/89/916657689.db2.gz RZVNPOPYRSFFRK-ZIAGYGMSSA-N 2 0 281.444 1.470 10 30 CDEERP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001485242432 916697497 /nfs/dbraw/zinc/69/74/97/916697497.db2.gz DLYFVLVREMFMKG-QQFBHYJXSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001485318220 916805624 /nfs/dbraw/zinc/80/56/24/916805624.db2.gz GEAZUBMCGADANY-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[N@@H+](C)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001485370428 916899809 /nfs/dbraw/zinc/89/98/09/916899809.db2.gz HHUQPCUUGICKSK-CQSZACIVSA-N 2 0 297.443 1.110 10 30 CDEERP C#CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)C(C)(C)C1 ZINC001485570491 917094117 /nfs/dbraw/zinc/09/41/17/917094117.db2.gz FAUKWTFBCAHZDJ-CQSZACIVSA-N 2 0 288.395 1.192 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001486128687 920758076 /nfs/dbraw/zinc/75/80/76/920758076.db2.gz KRVREXSNAWSOPB-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491120812 936859066 /nfs/dbraw/zinc/85/90/66/936859066.db2.gz QYHJQKRPJCVDHF-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001491260863 936886190 /nfs/dbraw/zinc/88/61/90/936886190.db2.gz ASEMKLPJQRZZMY-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001490692230 927303271 /nfs/dbraw/zinc/30/32/71/927303271.db2.gz CQUKOTDOJYSREK-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001329398234 937253517 /nfs/dbraw/zinc/25/35/17/937253517.db2.gz SDTYWGVKGABLIQ-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C ZINC001275709348 931970740 /nfs/dbraw/zinc/97/07/40/931970740.db2.gz DZIOVTWHQINAEO-UHFFFAOYSA-N 2 0 255.406 1.198 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001568630486 1169407141 /nfs/dbraw/zinc/40/71/41/1169407141.db2.gz DSMBTPVCCWAZKR-GJZGRUSLSA-N 2 0 281.444 1.920 10 30 CDEERP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CCC)CC1 ZINC001278206671 945138795 /nfs/dbraw/zinc/13/87/95/945138795.db2.gz LTZADEDRSSLSLJ-UHFFFAOYSA-N 2 0 293.455 1.663 10 30 CDEERP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001329515854 940185018 /nfs/dbraw/zinc/18/50/18/940185018.db2.gz PADBFONJLBBIHJ-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001276718496 940863226 /nfs/dbraw/zinc/86/32/26/940863226.db2.gz UMNDZFCQNRDXAR-JONQDZQNSA-N 2 0 293.455 1.587 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001277060340 941892102 /nfs/dbraw/zinc/89/21/02/941892102.db2.gz MYFRJZYWTULEBW-UHFFFAOYSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001277092798 941942790 /nfs/dbraw/zinc/94/27/90/941942790.db2.gz NIRIOQVHECKPCX-BZUAXINKSA-N 2 0 293.455 1.777 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001280460080 942447518 /nfs/dbraw/zinc/44/75/18/942447518.db2.gz ZFELCRUBWGHELM-OAHLLOKOSA-N 2 0 277.412 1.076 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCC1 ZINC001280499474 942455225 /nfs/dbraw/zinc/45/52/25/942455225.db2.gz GCTAAHFTNISJGH-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001281928080 942631571 /nfs/dbraw/zinc/63/15/71/942631571.db2.gz IXCQPEUHDYMRCU-CABCVRRESA-N 2 0 277.412 1.027 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001284314325 943145863 /nfs/dbraw/zinc/14/58/63/943145863.db2.gz XFVAVEFZISCZTB-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265230899 944288079 /nfs/dbraw/zinc/28/80/79/944288079.db2.gz NVUFWHHXHQTILV-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265276129 944310163 /nfs/dbraw/zinc/31/01/63/944310163.db2.gz ZEDMQWWWEQGSMX-ZIAGYGMSSA-N 2 0 265.401 1.237 10 30 CDEERP C#CC[NH+]1CCC(N(CCC)C(=O)CC[N@H+](C)CC)CC1 ZINC001265341826 944348963 /nfs/dbraw/zinc/34/89/63/944348963.db2.gz ZMIAGGKXMGZJRF-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001265358794 944359566 /nfs/dbraw/zinc/35/95/66/944359566.db2.gz QLSHTNZBRTZDBY-HZPDHXFCSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001265551288 944425802 /nfs/dbraw/zinc/42/58/02/944425802.db2.gz XHCCSNZWRKFWQM-GASCZTMLSA-N 2 0 291.439 1.511 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001277987404 944523249 /nfs/dbraw/zinc/52/32/49/944523249.db2.gz ICVHULFYBGLDDO-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001265978727 944610818 /nfs/dbraw/zinc/61/08/18/944610818.db2.gz WBSXWCZJVDRIJA-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001479888864 971470994 /nfs/dbraw/zinc/47/09/94/971470994.db2.gz OFBFDASPVNWUTG-UHFFFAOYSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001279012917 948586142 /nfs/dbraw/zinc/58/61/42/948586142.db2.gz STBDQKKSMHKUQH-GJZGRUSLSA-N 2 0 291.439 1.627 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001480233384 971640171 /nfs/dbraw/zinc/64/01/71/971640171.db2.gz ZBDUGYLRFGSGDV-CAOSSQGBSA-N 2 0 291.439 1.367 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480231828 971640497 /nfs/dbraw/zinc/64/04/97/971640497.db2.gz LDUVLLOOUHODKU-MJBXVCDLSA-N 2 0 267.417 1.530 10 30 CDEERP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001278592823 950320489 /nfs/dbraw/zinc/32/04/89/950320489.db2.gz GSHMVNJTJVYJBF-CABCVRRESA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001278693020 951740034 /nfs/dbraw/zinc/74/00/34/951740034.db2.gz DNITZCCZKNEOSR-KRWDZBQOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001480763222 971869829 /nfs/dbraw/zinc/86/98/29/971869829.db2.gz ATZZWLULXSHLIL-GJZGRUSLSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001493206885 971983799 /nfs/dbraw/zinc/98/37/99/971983799.db2.gz KKJNVVLRVSXRMM-UONOGXRCSA-N 2 0 285.407 1.290 10 30 CDEERP C=CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001326604129 954450233 /nfs/dbraw/zinc/45/02/33/954450233.db2.gz RQVATPNJOGIIFD-UHFFFAOYSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001327488481 954903050 /nfs/dbraw/zinc/90/30/50/954903050.db2.gz JBMHQDGGTFJZHG-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001316663867 955178559 /nfs/dbraw/zinc/17/85/59/955178559.db2.gz ILPZQCIJAIGUHS-ARFHVFGLSA-N 2 0 291.439 1.226 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001328718720 955439795 /nfs/dbraw/zinc/43/97/95/955439795.db2.gz LKNNNULZSQCTNP-GJZGRUSLSA-N 2 0 277.412 1.027 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493724341 972106192 /nfs/dbraw/zinc/10/61/92/972106192.db2.gz BGMIQWLDPDTKRT-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001492084983 955645667 /nfs/dbraw/zinc/64/56/67/955645667.db2.gz HLOOIXLTXQLJAH-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001492164895 955662336 /nfs/dbraw/zinc/66/23/36/955662336.db2.gz ITTKHJWYQCPHAF-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001329130079 955702649 /nfs/dbraw/zinc/70/26/49/955702649.db2.gz XZVABKHCDYTQRC-STQMWFEESA-N 2 0 269.433 1.633 10 30 CDEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001329279606 955794713 /nfs/dbraw/zinc/79/47/13/955794713.db2.gz ZJXFLNKQVFAOPU-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001317243918 957373365 /nfs/dbraw/zinc/37/33/65/957373365.db2.gz CPBKJFMDWSCUDI-LLVKDONJSA-N 2 0 281.425 1.704 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001317286127 957404919 /nfs/dbraw/zinc/40/49/19/957404919.db2.gz FANKKGYNUZZRDA-AWEZNQCLSA-N 2 0 267.417 1.533 10 30 CDEERP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001332099820 957432316 /nfs/dbraw/zinc/43/23/16/957432316.db2.gz LAGSETDOEXZDPW-WBVHZDCISA-N 2 0 291.439 1.770 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001317359022 957436442 /nfs/dbraw/zinc/43/64/42/957436442.db2.gz UKTRWPFVHUGZFU-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@H]12 ZINC001332120985 957440448 /nfs/dbraw/zinc/44/04/48/957440448.db2.gz WZNFEXRTZYQKLI-RDJZCZTQSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001332325920 957519133 /nfs/dbraw/zinc/51/91/33/957519133.db2.gz DBCGDFBEDQZBAK-CVEARBPZSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001317511889 957522194 /nfs/dbraw/zinc/52/21/94/957522194.db2.gz VPNISCANZDILND-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317831750 957681819 /nfs/dbraw/zinc/68/18/19/957681819.db2.gz WNFXZQVOGFIBJM-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001318595155 958191151 /nfs/dbraw/zinc/19/11/51/958191151.db2.gz NLYNVJWAPVBGOK-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001319042842 958347246 /nfs/dbraw/zinc/34/72/46/958347246.db2.gz BFXYXIILQLYAEY-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001319268346 958466264 /nfs/dbraw/zinc/46/62/64/958466264.db2.gz ADFGEULZOLJSMO-UONOGXRCSA-N 2 0 267.417 1.246 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001319523885 958610037 /nfs/dbraw/zinc/61/00/37/958610037.db2.gz DABMOZXRIAYLMT-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320154350 958974806 /nfs/dbraw/zinc/97/48/06/958974806.db2.gz NPLSIAWTJIMEBR-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001368670446 959027160 /nfs/dbraw/zinc/02/71/60/959027160.db2.gz SXCHOOWWCPFTKL-DGCLKSJQSA-N 2 0 287.835 1.516 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001495136364 972423502 /nfs/dbraw/zinc/42/35/02/972423502.db2.gz HWNWSIMYRYZYEB-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001495209695 972437011 /nfs/dbraw/zinc/43/70/11/972437011.db2.gz MFSOENDWCWBXHO-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H](CC)[NH+](C)C ZINC001321248961 959680477 /nfs/dbraw/zinc/68/04/77/959680477.db2.gz FTKAYOMNLDUYPT-SYTKJHMZSA-N 2 0 273.808 1.341 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001322542387 960252833 /nfs/dbraw/zinc/25/28/33/960252833.db2.gz BDYALXOGDCQTSW-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001322657806 960289446 /nfs/dbraw/zinc/28/94/46/960289446.db2.gz OVNGFXMGJYYYHX-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001324248909 961261058 /nfs/dbraw/zinc/26/10/58/961261058.db2.gz FICPUYKNAXVINX-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439782203 963858378 /nfs/dbraw/zinc/85/83/78/963858378.db2.gz CTUGBQPFMUQZSK-QWHCGFSZSA-N 2 0 285.819 1.271 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001441377724 964483607 /nfs/dbraw/zinc/48/36/07/964483607.db2.gz IAUIRGMZZGWGHC-JOCQHMNTSA-N 2 0 287.835 1.565 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001441865412 964757262 /nfs/dbraw/zinc/75/72/62/964757262.db2.gz OGXIXHYFSIBWJQ-QWHCGFSZSA-N 2 0 287.835 1.708 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC001556467023 965048423 /nfs/dbraw/zinc/04/84/23/965048423.db2.gz WUJPDOJBPOBXEE-CQSZACIVSA-N 2 0 299.484 1.390 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001558875811 965369251 /nfs/dbraw/zinc/36/92/51/965369251.db2.gz PFJMEMSSYFSCPD-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC001539017739 967079266 /nfs/dbraw/zinc/07/92/66/967079266.db2.gz RVDSDGDPVLIPIC-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001448611217 967171598 /nfs/dbraw/zinc/17/15/98/967171598.db2.gz BVUSNNZHPMXPEL-KGLIPLIRSA-N 2 0 299.846 1.517 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001569562073 1169925729 /nfs/dbraw/zinc/92/57/29/1169925729.db2.gz DDLNERPDWWZXNY-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001522262965 970415987 /nfs/dbraw/zinc/41/59/87/970415987.db2.gz DCSOHPGNSWRSNU-QWHCGFSZSA-N 2 0 253.390 1.400 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001495918708 972701094 /nfs/dbraw/zinc/70/10/94/972701094.db2.gz KDICWCMEZRSGAX-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497619742 973436298 /nfs/dbraw/zinc/43/62/98/973436298.db2.gz GOPCMCPMJCILDP-LLYBFZRZSA-N 2 0 277.412 1.002 10 30 CDEERP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500549420 974449149 /nfs/dbraw/zinc/44/91/49/974449149.db2.gz ANQFGKNCVCPKFB-NVXWUHKLSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001502836466 974792446 /nfs/dbraw/zinc/79/24/46/974792446.db2.gz PQAHATQMSYNYDW-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001505433792 974876084 /nfs/dbraw/zinc/87/60/84/974876084.db2.gz FFAFQIQYEZCWIL-CQSZACIVSA-N 2 0 277.412 1.027 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001505434238 974877411 /nfs/dbraw/zinc/87/74/11/974877411.db2.gz NHOBAUUEKXTDNZ-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001505445982 974881309 /nfs/dbraw/zinc/88/13/09/974881309.db2.gz BDSIKGCPSYMUPP-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001505686679 974963862 /nfs/dbraw/zinc/96/38/62/974963862.db2.gz SRBYMBXFBVFVET-CHWSQXEVSA-N 2 0 255.406 1.387 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCCC1 ZINC001506520391 975173289 /nfs/dbraw/zinc/17/32/89/975173289.db2.gz QMAKDEBQZBTSDJ-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001508144436 975622948 /nfs/dbraw/zinc/62/29/48/975622948.db2.gz BXPUZEZBIMAILT-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379250382 975729878 /nfs/dbraw/zinc/72/98/78/975729878.db2.gz ROWPAIVODIGFGY-OLZOCXBDSA-N 2 0 287.835 1.660 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001379579891 975933765 /nfs/dbraw/zinc/93/37/65/975933765.db2.gz AKLWJOVFMLMRFJ-CHWSQXEVSA-N 2 0 287.835 1.658 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001394366341 978143134 /nfs/dbraw/zinc/14/31/34/978143134.db2.gz HSQMFLIDGIEBHO-JHJVBQTASA-N 2 0 285.819 1.318 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001675349522 1174105170 /nfs/dbraw/zinc/10/51/70/1174105170.db2.gz UUURSMLZRBAKOO-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001570566254 1170190955 /nfs/dbraw/zinc/19/09/55/1170190955.db2.gz XKZSQCQHKWCWIV-UHFFFAOYSA-N 2 0 289.423 1.123 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001571322344 1170364978 /nfs/dbraw/zinc/36/49/78/1170364978.db2.gz ODLXXNIKEWTIKB-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001571325330 1170366495 /nfs/dbraw/zinc/36/64/95/1170366495.db2.gz YLPXHUPYUPGURZ-CYBMUJFWSA-N 2 0 253.390 1.143 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001571325635 1170366655 /nfs/dbraw/zinc/36/66/55/1170366655.db2.gz FMANPRHIHAEGGH-CQSZACIVSA-N 2 0 267.417 1.224 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC001571559980 1170477620 /nfs/dbraw/zinc/47/76/20/1170477620.db2.gz PGZGWURFTVXOQG-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[N@@H+](C)CCN(C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001571614954 1170496350 /nfs/dbraw/zinc/49/63/50/1170496350.db2.gz ZVNRHHHKUPWIAF-UHFFFAOYSA-N 2 0 281.444 1.683 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001571658155 1170513229 /nfs/dbraw/zinc/51/32/29/1170513229.db2.gz LSMPRGZJFBRJMT-YMAMQOFZSA-N 2 0 297.418 1.269 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001656098024 1171764656 /nfs/dbraw/zinc/76/46/56/1171764656.db2.gz QIVVJUSHWVEBEJ-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001656309867 1171808966 /nfs/dbraw/zinc/80/89/66/1171808966.db2.gz WMCUUWHZMYAPIM-XHSDSOJGSA-N 2 0 293.455 1.470 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000594435656 342899178 /nfs/dbraw/zinc/89/91/78/342899178.db2.gz IICHVQDRTMTVMD-ZNMIVQPWSA-N 2 0 292.427 1.246 10 30 CDEERP N#CC1(C[C@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000600744213 342247078 /nfs/dbraw/zinc/24/70/78/342247078.db2.gz LJCJNIOOHMPDGI-INIZCTEOSA-N 2 0 291.439 1.753 10 30 CDEERP COc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1C#N ZINC000594517731 342917031 /nfs/dbraw/zinc/91/70/31/342917031.db2.gz YTHVJPNNTCMFHS-OTVXOJSOSA-N 2 0 273.380 1.997 10 30 CDEERP C[NH+]1CCC2(CC1)C[N@H+](CCc1ccc(C#N)cc1)CCO2 ZINC000595559907 343097841 /nfs/dbraw/zinc/09/78/41/343097841.db2.gz WPNUADOZEPAXQY-UHFFFAOYSA-N 2 0 299.418 1.897 10 30 CDEERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000595943073 343204358 /nfs/dbraw/zinc/20/43/58/343204358.db2.gz IGURPRXXMUJOLW-GJZGRUSLSA-N 2 0 294.443 1.634 10 30 CDEERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598705671 343877593 /nfs/dbraw/zinc/87/75/93/343877593.db2.gz LTSWZSCWQRTDSI-FRRDWIJNSA-N 2 0 253.390 1.217 10 30 CDEERP COC[C@H](C)[N@H+](C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609584 522594674 /nfs/dbraw/zinc/59/46/74/522594674.db2.gz GWYLCCLLUYEAMW-LBPRGKRZSA-N 2 0 264.344 1.603 10 30 CDEERP C=CCCC[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001660368823 1172205163 /nfs/dbraw/zinc/20/51/63/1172205163.db2.gz KYZZSEUHPMCBTG-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001661136473 1172342100 /nfs/dbraw/zinc/34/21/00/1172342100.db2.gz KDJWFGYKKCXDAO-OAHLLOKOSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000662426232 413004255 /nfs/dbraw/zinc/00/42/55/413004255.db2.gz VIRIBFFRCPDLRR-IPYPFGDCSA-N 2 0 263.385 1.038 10 30 CDEERP C=CCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001663288908 1172668578 /nfs/dbraw/zinc/66/85/78/1172668578.db2.gz WRZMAIPCUNRZMA-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[C@]1(C(=O)NCC(C)(C)C[NH+](C)C)CCC[NH2+]1 ZINC000662661060 413265187 /nfs/dbraw/zinc/26/51/87/413265187.db2.gz IRWVCYPJABFELF-OAHLLOKOSA-N 2 0 267.417 1.389 10 30 CDEERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1nc(C#N)cs1 ZINC000352841125 155476436 /nfs/dbraw/zinc/47/64/36/155476436.db2.gz NPIGMFSEXWXTLT-LBPRGKRZSA-N 2 0 282.413 1.461 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H](C)C[NH+](CC)CC)CCC[NH2+]1 ZINC000662691481 413323457 /nfs/dbraw/zinc/32/34/57/413323457.db2.gz IZNASAWSAIDLOW-HIFRSBDPSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662701750 413344450 /nfs/dbraw/zinc/34/44/50/413344450.db2.gz UXBJEWMAQOVGOJ-NVXWUHKLSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000662743922 413418090 /nfs/dbraw/zinc/41/80/90/413418090.db2.gz XGQDGEFPBPOJDA-DOTOQJQBSA-N 2 0 291.439 1.629 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H](CC[NH+](C)C)OCC)CCC[NH2+]1 ZINC000662748605 413425448 /nfs/dbraw/zinc/42/54/48/413425448.db2.gz CGMVGTOPWMYAAH-HOCLYGCPSA-N 2 0 297.443 1.158 10 30 CDEERP C=CC[C@]1(C(=O)NCC2([NH3+])CCCC2)CCC[NH2+]1 ZINC000662864067 413626446 /nfs/dbraw/zinc/62/64/46/413626446.db2.gz HYYYXJZDAXDZDS-CQSZACIVSA-N 2 0 251.374 1.072 10 30 CDEERP [NH3+]CC#Cc1csc(C[N@H+](CCO)C2CC2)c1 ZINC000043689091 175095683 /nfs/dbraw/zinc/09/56/83/175095683.db2.gz ZZWHEOQEBRQFDK-UHFFFAOYSA-N 2 0 250.367 1.015 10 30 CDEERP CN1CCC([N@H+](C)Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043688823 175096056 /nfs/dbraw/zinc/09/60/56/175096056.db2.gz VIDFKVWOYWLMHX-UHFFFAOYSA-N 2 0 277.437 1.584 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001666652592 1173166181 /nfs/dbraw/zinc/16/61/81/1173166181.db2.gz VNDIKXONJMQJGZ-KGLIPLIRSA-N 2 0 269.433 1.491 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001666992266 1173217283 /nfs/dbraw/zinc/21/72/83/1173217283.db2.gz MTAKWUARJHYMPB-GJZGRUSLSA-N 2 0 281.444 1.567 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653117870 424304779 /nfs/dbraw/zinc/30/47/79/424304779.db2.gz XXMCLRLGBIFQLW-HUUCEWRRSA-N 2 0 277.412 1.284 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)CCCC[NH+]1CCCC1 ZINC001667064466 1173228957 /nfs/dbraw/zinc/22/89/57/1173228957.db2.gz XOJWGVIHWUCQQF-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@]2([NH+](C)C)CCSC2)CCC[NH2+]1 ZINC000662683129 424315181 /nfs/dbraw/zinc/31/51/81/424315181.db2.gz WOFRDHAUDWHKCP-CABCVRRESA-N 2 0 297.468 1.238 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CCC=C)CC1 ZINC001667669496 1173310284 /nfs/dbraw/zinc/31/02/84/1173310284.db2.gz VBPUYOKNZOTKCH-UHFFFAOYSA-N 2 0 291.439 1.298 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001667764498 1173322827 /nfs/dbraw/zinc/32/28/27/1173322827.db2.gz QHUQGBZKSLRGNG-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001669312956 1173534490 /nfs/dbraw/zinc/53/44/90/1173534490.db2.gz KNDBVEFRHLKFPC-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267054915 1159101645 /nfs/dbraw/zinc/10/16/45/1159101645.db2.gz HLURDGCBMKEVOC-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691473488 1159333773 /nfs/dbraw/zinc/33/37/73/1159333773.db2.gz PZGJGYZSLQUMTC-SOUVJXGZSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001699461326 1159662046 /nfs/dbraw/zinc/66/20/46/1159662046.db2.gz RSVLBQSLHIXJTJ-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001270737327 1160143318 /nfs/dbraw/zinc/14/33/18/1160143318.db2.gz KKFPAEGDZBUJHF-DOTOQJQBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)[C@@H](CO)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000679374397 483351633 /nfs/dbraw/zinc/35/16/33/483351633.db2.gz HJUVZRGJUGTTCQ-FCLJQHQZSA-N 2 0 293.455 1.166 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691623346 1160721171 /nfs/dbraw/zinc/72/11/71/1160721171.db2.gz TWEQAZFYYMEITR-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001722917219 1181492971 /nfs/dbraw/zinc/49/29/71/1181492971.db2.gz RJUCGWGEWJKMBV-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)CCC[NH+](C)C)C(C)C ZINC001734552316 1183822758 /nfs/dbraw/zinc/82/27/58/1183822758.db2.gz QGIZLLRNWVMIQV-UHFFFAOYSA-N 2 0 267.417 1.130 10 30 CDEERP COc1ccc(C[N@H+](C)C[C@@H]2CCCO2)cc1C#CC[NH3+] ZINC000049609679 524004949 /nfs/dbraw/zinc/00/49/49/524004949.db2.gz ZPIZRZXSJWIQQO-INIZCTEOSA-N 2 0 288.391 1.616 10 30 CDEERP C=CCC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000923424571 618328506 /nfs/dbraw/zinc/32/85/06/618328506.db2.gz GIIUVYMWTVDIOC-OUAUKWLOSA-N 2 0 266.307 1.383 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000909555443 620288568 /nfs/dbraw/zinc/28/85/68/620288568.db2.gz AWGOGFXZJGBDKD-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000900832703 623549543 /nfs/dbraw/zinc/54/95/43/623549543.db2.gz UUOXCHOPCSLCJX-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)[C@]1(C)CCCCO1 ZINC000902953778 625688422 /nfs/dbraw/zinc/68/84/22/625688422.db2.gz JYRRSHJXAWENEG-ULQDDVLXSA-N 2 0 296.455 1.937 10 30 CDEERP C=CC[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H](C)COC ZINC000903768193 626085506 /nfs/dbraw/zinc/08/55/06/626085506.db2.gz LTUVXMQFEGNSQW-ILXRZTDVSA-N 2 0 268.401 1.278 10 30 CDEERP C=CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001266362064 1158510552 /nfs/dbraw/zinc/51/05/52/1158510552.db2.gz XMSVISKYJDFOKS-CQSZACIVSA-N 2 0 265.401 1.239 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC=C ZINC001670651663 1158675023 /nfs/dbraw/zinc/67/50/23/1158675023.db2.gz WOIDXUIKKKSPBH-HOTGVXAUSA-N 2 0 289.423 1.241 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001724860721 1158839099 /nfs/dbraw/zinc/83/90/99/1158839099.db2.gz QEINPBCALWHKNG-INIZCTEOSA-N 2 0 293.455 1.520 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001671564892 1158669905 /nfs/dbraw/zinc/66/99/05/1158669905.db2.gz ZSSAAFPFMJKRFL-HZPDHXFCSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267652950 1159556524 /nfs/dbraw/zinc/55/65/24/1159556524.db2.gz HVKRUZTUPXVSSB-BZUAXINKSA-N 2 0 291.439 1.130 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001699461321 1159661886 /nfs/dbraw/zinc/66/18/86/1159661886.db2.gz RSVLBQSLHIXJTJ-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482816694 1160637147 /nfs/dbraw/zinc/63/71/47/1160637147.db2.gz JAFBEORDDFOQNV-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001691671141 1161500426 /nfs/dbraw/zinc/50/04/26/1161500426.db2.gz ASEBDZKARYZWGC-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC001633422126 1166420908 /nfs/dbraw/zinc/42/09/08/1166420908.db2.gz WWJGZCDJTLYHGN-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567711613 1168930569 /nfs/dbraw/zinc/93/05/69/1168930569.db2.gz CZBVWSQQCUNBAL-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001568430975 1169284176 /nfs/dbraw/zinc/28/41/76/1169284176.db2.gz CKWKJOYYHYZRPP-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001569257966 1169737957 /nfs/dbraw/zinc/73/79/57/1169737957.db2.gz OHZLGPMWOMFQNU-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001570055115 1170066415 /nfs/dbraw/zinc/06/64/15/1170066415.db2.gz OOFWOGPOLKSCFF-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001570653246 1170224568 /nfs/dbraw/zinc/22/45/68/1170224568.db2.gz OSZQCALZRWXDIV-STQMWFEESA-N 2 0 255.406 1.386 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001570800794 1170282334 /nfs/dbraw/zinc/28/23/34/1170282334.db2.gz AHBFYAPWMHNOCP-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CC[N@@H+](C)CC ZINC001571412042 1170418176 /nfs/dbraw/zinc/41/81/76/1170418176.db2.gz RBOZHICFPKNZFQ-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C=CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001571502352 1170457421 /nfs/dbraw/zinc/45/74/21/1170457421.db2.gz DAIFKKLGLABZBP-HOCLYGCPSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001571630804 1170502146 /nfs/dbraw/zinc/50/21/46/1170502146.db2.gz NDXPYNWSZZNRPM-LSDHHAIUSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001661832906 1172452181 /nfs/dbraw/zinc/45/21/81/1172452181.db2.gz RITPZVWEBKMTBA-HNNXBMFYSA-N 2 0 291.439 1.487 10 30 CDEERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001662303037 1172524149 /nfs/dbraw/zinc/52/41/49/1172524149.db2.gz HQCXXZQPNZKHND-NVXWUHKLSA-N 2 0 299.418 1.227 10 30 CDEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001664462865 1172857036 /nfs/dbraw/zinc/85/70/36/1172857036.db2.gz MNBULBURIGOHNN-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001666673171 1173169672 /nfs/dbraw/zinc/16/96/72/1173169672.db2.gz NKTRHJXYEBKDHU-CABCVRRESA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001667032687 1173224711 /nfs/dbraw/zinc/22/47/11/1173224711.db2.gz DLMDWFQXTVJHNT-KBPBESRZSA-N 2 0 269.433 1.585 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001669399538 1173546526 /nfs/dbraw/zinc/54/65/26/1173546526.db2.gz CKMHKEDRKGXDFK-CYBMUJFWSA-N 2 0 269.433 1.635 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001674687640 1173988346 /nfs/dbraw/zinc/98/83/46/1173988346.db2.gz SZIXYROLUPYLTG-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[C@H](C)[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001677423923 1174359576 /nfs/dbraw/zinc/35/95/76/1174359576.db2.gz SOLZHTNXCLGDBQ-NFOMZHRRSA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001690199567 1175402432 /nfs/dbraw/zinc/40/24/32/1175402432.db2.gz UWXKGRJSXNSXDZ-INIZCTEOSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001690468430 1175477225 /nfs/dbraw/zinc/47/72/25/1175477225.db2.gz BWSXAKNSJOQNSB-JKSUJKDBSA-N 2 0 291.439 1.485 10 30 CDEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001692135448 1175681639 /nfs/dbraw/zinc/68/16/39/1175681639.db2.gz VBCWUTLETWDTPJ-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001699346065 1176285956 /nfs/dbraw/zinc/28/59/56/1176285956.db2.gz SKEZRHFIRSSELO-PLNGDYQASA-N 2 0 279.428 1.701 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001699510854 1176456587 /nfs/dbraw/zinc/45/65/87/1176456587.db2.gz ARUOHEYKYRPOLQ-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001699650756 1176548974 /nfs/dbraw/zinc/54/89/74/1176548974.db2.gz CNXJJASSLKGUFO-CQSZACIVSA-N 2 0 277.412 1.121 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001699734446 1176598074 /nfs/dbraw/zinc/59/80/74/1176598074.db2.gz NKYXZUYPNZSIOS-LSDHHAIUSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001699740386 1176599248 /nfs/dbraw/zinc/59/92/48/1176599248.db2.gz QJULNMMCILWDID-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001699770248 1176615979 /nfs/dbraw/zinc/61/59/79/1176615979.db2.gz GLGWVQUYSOECAE-CQSZACIVSA-N 2 0 299.434 1.823 10 30 CDEERP C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CC)CC1 ZINC001699785712 1176621483 /nfs/dbraw/zinc/62/14/83/1176621483.db2.gz XYJUOMZATKRNQV-UHFFFAOYSA-N 2 0 289.423 1.028 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001699840643 1176651868 /nfs/dbraw/zinc/65/18/68/1176651868.db2.gz LXUCPXHSTFHONK-WBVHZDCISA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001699944362 1176691628 /nfs/dbraw/zinc/69/16/28/1176691628.db2.gz MECMWLQTJVVRLL-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001700178912 1176784749 /nfs/dbraw/zinc/78/47/49/1176784749.db2.gz LLDXMJXWOQWLPT-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001700278244 1176830104 /nfs/dbraw/zinc/83/01/04/1176830104.db2.gz ARLRSFUTHRFQLK-ZDUSSCGKSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001700546444 1177009914 /nfs/dbraw/zinc/00/99/14/1177009914.db2.gz QMGMPNBOIFXUTI-CQSZACIVSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCC[NH+]1CC=C(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001701059771 1177261395 /nfs/dbraw/zinc/26/13/95/1177261395.db2.gz IGRJXTMQKCEDMB-UHFFFAOYSA-N 2 0 279.428 1.653 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001707250714 1177984395 /nfs/dbraw/zinc/98/43/95/1177984395.db2.gz WXPNVDXWXAJBSN-FPCVCCKLSA-N 2 0 293.455 1.872 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001707258936 1177984660 /nfs/dbraw/zinc/98/46/60/1177984660.db2.gz UANPKMNABDIUFR-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713089203 1178362839 /nfs/dbraw/zinc/36/28/39/1178362839.db2.gz KAYRCKFDFOIOBD-OAHLLOKOSA-N 2 0 277.412 1.076 10 30 CDEERP C#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001713257644 1178455004 /nfs/dbraw/zinc/45/50/04/1178455004.db2.gz HGVYRUHWDPUVIY-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001713315072 1178491694 /nfs/dbraw/zinc/49/16/94/1178491694.db2.gz OCSWBHGJRFGSCH-LBPRGKRZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001713351784 1178515336 /nfs/dbraw/zinc/51/53/36/1178515336.db2.gz LYZGYCPTIDXPDF-XHSDSOJGSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001713654776 1178698287 /nfs/dbraw/zinc/69/82/87/1178698287.db2.gz KRGOUUZZKDNPCV-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001714311054 1179079948 /nfs/dbraw/zinc/07/99/48/1179079948.db2.gz XZPSWSOEEOJVPC-HNNXBMFYSA-N 2 0 279.428 1.370 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001714412866 1179129146 /nfs/dbraw/zinc/12/91/46/1179129146.db2.gz SUXJGNHGONKNBC-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001714486494 1179165071 /nfs/dbraw/zinc/16/50/71/1179165071.db2.gz IWYBMOSWJOEIAQ-ILXRZTDVSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[N@@H+](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001714569483 1179226780 /nfs/dbraw/zinc/22/67/80/1179226780.db2.gz SYYFAFSIYPADHF-UHFFFAOYSA-N 2 0 287.407 1.433 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001714646949 1179294860 /nfs/dbraw/zinc/29/48/60/1179294860.db2.gz QLWAJGYMEKKCQV-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001714847171 1179419401 /nfs/dbraw/zinc/41/94/01/1179419401.db2.gz JQBAJPJKOJYTAJ-MRXNPFEDSA-N 2 0 299.418 1.715 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001714861448 1179424837 /nfs/dbraw/zinc/42/48/37/1179424837.db2.gz HAAZVDKGNNTXPW-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001714899278 1179443243 /nfs/dbraw/zinc/44/32/43/1179443243.db2.gz NRIORMIUNPQJRB-HOTGVXAUSA-N 2 0 291.439 1.132 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001715004349 1179502901 /nfs/dbraw/zinc/50/29/01/1179502901.db2.gz KLBAXRBHVSTYDC-RRFJBIMHSA-N 2 0 279.428 1.626 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001715059947 1179534912 /nfs/dbraw/zinc/53/49/12/1179534912.db2.gz LNEMPSUCZFHIAO-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715362352 1179642643 /nfs/dbraw/zinc/64/26/43/1179642643.db2.gz LLLXGTWNNKCJCG-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715362357 1179643246 /nfs/dbraw/zinc/64/32/46/1179643246.db2.gz LLLXGTWNNKCJCG-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001715467209 1179674259 /nfs/dbraw/zinc/67/42/59/1179674259.db2.gz ZPTSIMGDLBFONT-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1 ZINC001715737632 1179785194 /nfs/dbraw/zinc/78/51/94/1179785194.db2.gz IXOXQDNECYBKGE-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001716003471 1179977503 /nfs/dbraw/zinc/97/75/03/1179977503.db2.gz YFGFBPYAYJRMFD-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001716030224 1180004642 /nfs/dbraw/zinc/00/46/42/1180004642.db2.gz NUDYMRPPEJUPGV-KBPBESRZSA-N 2 0 267.417 1.482 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001716350238 1180164290 /nfs/dbraw/zinc/16/42/90/1180164290.db2.gz DDKUZZBHCRKLOM-IDTUSYRASA-N 2 0 279.428 1.699 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001716540517 1180276535 /nfs/dbraw/zinc/27/65/35/1180276535.db2.gz HUQSYBAUHKFXOL-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001716765628 1180406184 /nfs/dbraw/zinc/40/61/84/1180406184.db2.gz XUEKYJIRUCBUHE-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001716851753 1180440785 /nfs/dbraw/zinc/44/07/85/1180440785.db2.gz RLRKYPFISXENFW-AWEZNQCLSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001717477642 1180695890 /nfs/dbraw/zinc/69/58/90/1180695890.db2.gz BLVDNFBNQHQYDW-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001717492643 1180706591 /nfs/dbraw/zinc/70/65/91/1180706591.db2.gz HNNIKFJFLJDJFV-AWEZNQCLSA-N 2 0 287.407 1.432 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001717559085 1180739715 /nfs/dbraw/zinc/73/97/15/1180739715.db2.gz DITAKWILPRJOFV-JSGCOSHPSA-N 2 0 267.417 1.339 10 30 CDEERP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001717624862 1180762968 /nfs/dbraw/zinc/76/29/68/1180762968.db2.gz UZHXBDDRKRQFRT-JYJNAYRXSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001717802835 1180863490 /nfs/dbraw/zinc/86/34/90/1180863490.db2.gz YBVSZTLENTWFSN-KGLIPLIRSA-N 2 0 277.412 1.237 10 30 CDEERP C=CCC[N@@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001724624925 1181707029 /nfs/dbraw/zinc/70/70/29/1181707029.db2.gz CCYWGXCGVQPELK-IYBDPMFKSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001724658360 1181716963 /nfs/dbraw/zinc/71/69/63/1181716963.db2.gz WDBYVSCTVYQLBZ-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001725499292 1182026290 /nfs/dbraw/zinc/02/62/90/1182026290.db2.gz XLTDQQHNOCIMNG-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001725829649 1182146165 /nfs/dbraw/zinc/14/61/65/1182146165.db2.gz IFRMZCPKMSPFBI-UHFFFAOYSA-N 2 0 291.439 1.797 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001731395137 1182357709 /nfs/dbraw/zinc/35/77/09/1182357709.db2.gz HXIWDDQLENUJHQ-JKSUJKDBSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001731496937 1182421391 /nfs/dbraw/zinc/42/13/91/1182421391.db2.gz FQXAUJITIHBOQI-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001731506361 1182423367 /nfs/dbraw/zinc/42/33/67/1182423367.db2.gz YUAWYIWPXSKNKQ-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001731615905 1182481417 /nfs/dbraw/zinc/48/14/17/1182481417.db2.gz DDUVBRKCTYYDTK-BBRMVZONSA-N 2 0 297.418 1.317 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001732071976 1182750573 /nfs/dbraw/zinc/75/05/73/1182750573.db2.gz GOLRGBKQFSTRNP-HRCADAONSA-N 2 0 291.439 1.130 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001732428288 1182960918 /nfs/dbraw/zinc/96/09/18/1182960918.db2.gz LDEVWOSHXALHGK-AWEZNQCLSA-N 2 0 293.455 1.709 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732700634 1183092486 /nfs/dbraw/zinc/09/24/86/1183092486.db2.gz COEGYRZXMGDTIE-GFCCVEGCSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732810409 1183133443 /nfs/dbraw/zinc/13/34/43/1183133443.db2.gz BTPHAKJATQMLED-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001733118150 1183296531 /nfs/dbraw/zinc/29/65/31/1183296531.db2.gz CMMNLSDHOXQNMH-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001733353594 1183407792 /nfs/dbraw/zinc/40/77/92/1183407792.db2.gz KGCFGNLUYAKAET-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001733393285 1183416397 /nfs/dbraw/zinc/41/63/97/1183416397.db2.gz RHRXRWXDXLJNLS-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001733525122 1183456558 /nfs/dbraw/zinc/45/65/58/1183456558.db2.gz BCBBBORPXWPWNA-KBPBESRZSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001733678397 1183495452 /nfs/dbraw/zinc/49/54/52/1183495452.db2.gz XDKGHRLFXACJDA-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001733877579 1183557212 /nfs/dbraw/zinc/55/72/12/1183557212.db2.gz ZQVJAYDFBLLCTK-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733988303 1183603994 /nfs/dbraw/zinc/60/39/94/1183603994.db2.gz YCZSSTVWDXJJKQ-UONOGXRCSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733994848 1183605831 /nfs/dbraw/zinc/60/58/31/1183605831.db2.gz JABZNGPNOLPMTF-OLZOCXBDSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733994850 1183606188 /nfs/dbraw/zinc/60/61/88/1183606188.db2.gz JABZNGPNOLPMTF-STQMWFEESA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)C[NH+]1CCC(C)CC1 ZINC001734097178 1183656012 /nfs/dbraw/zinc/65/60/12/1183656012.db2.gz MOIUYIXLISHAKW-INIZCTEOSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001734299244 1183719626 /nfs/dbraw/zinc/71/96/26/1183719626.db2.gz BGRMEQJWDDYYGJ-XHSDSOJGSA-N 2 0 293.455 1.729 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001734317654 1183727112 /nfs/dbraw/zinc/72/71/12/1183727112.db2.gz QNRZCMIDACELFU-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001734424025 1183773745 /nfs/dbraw/zinc/77/37/45/1183773745.db2.gz DIPPOOJMRRSUQF-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@H]12 ZINC001734439269 1183778847 /nfs/dbraw/zinc/77/88/47/1183778847.db2.gz KCVHXOPMAXHFGT-GOEBONIOSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001734474522 1183793064 /nfs/dbraw/zinc/79/30/64/1183793064.db2.gz HSFDGOZVYWUFBZ-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C[NH2+]Cc1ccccc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852793150 737954947 /nfs/dbraw/zinc/95/49/47/737954947.db2.gz RXLBZAKBDWOAHV-UHFFFAOYSA-N 2 0 271.364 1.348 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000876764171 738315823 /nfs/dbraw/zinc/31/58/23/738315823.db2.gz KOPYLUSETVTCLZ-DCAQKATOSA-N 2 0 259.781 1.055 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)CC1 ZINC000824083747 736426539 /nfs/dbraw/zinc/42/65/39/736426539.db2.gz BXNPXDCKOLUWFN-CABCVRRESA-N 2 0 291.439 1.177 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ncc(C)c(OC)c1C ZINC000876741883 736697974 /nfs/dbraw/zinc/69/79/74/736697974.db2.gz UMNCRTPZDRWXFM-LLVKDONJSA-N 2 0 297.786 1.793 10 30 CDEERP C#CCN(C)CCC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866362891 737078924 /nfs/dbraw/zinc/07/89/24/737078924.db2.gz INNBBIVNKOLPLJ-HNNXBMFYSA-N 2 0 259.397 1.947 10 30 CDEERP C[C@H]1C[NH+]=C(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)N1 ZINC000262681316 737495568 /nfs/dbraw/zinc/49/55/68/737495568.db2.gz WJPXFWFXZSNADA-YOEHRIQHSA-N 2 0 286.423 1.978 10 30 CDEERP C=CCNC(=O)[C@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248891 737637940 /nfs/dbraw/zinc/63/79/40/737637940.db2.gz XTYZNOJLYCRBFY-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CCC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879126600 738136002 /nfs/dbraw/zinc/13/60/02/738136002.db2.gz KWVQFEKYJUHBNE-UHFFFAOYSA-N 2 0 252.402 1.690 10 30 CDEERP C#CCCCCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000878993948 739224957 /nfs/dbraw/zinc/22/49/57/739224957.db2.gz QQMDYABDYZJBKK-MRXNPFEDSA-N 2 0 264.413 1.711 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001566732567 1168033565 /nfs/dbraw/zinc/03/35/65/1168033565.db2.gz DOZGSWLIYLCROH-HZPDHXFCSA-N 2 0 293.455 1.777 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001565908702 1168199010 /nfs/dbraw/zinc/19/90/10/1168199010.db2.gz WMCUUWHZMYAPIM-ARFHVFGLSA-N 2 0 293.455 1.470 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001566682549 1168387383 /nfs/dbraw/zinc/38/73/83/1168387383.db2.gz DEJNHSDOXCIUGJ-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001567177765 1168606581 /nfs/dbraw/zinc/60/65/81/1168606581.db2.gz WUGMQCCLOQWLRQ-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001272566618 913456585 /nfs/dbraw/zinc/45/65/85/913456585.db2.gz ZZJOICJFLXIUFS-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567404454 1168736938 /nfs/dbraw/zinc/73/69/38/1168736938.db2.gz YAVIMAHJYWSRQQ-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266857249 896209186 /nfs/dbraw/zinc/20/91/86/896209186.db2.gz KUWADFXNSBRLGK-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267734730 899438200 /nfs/dbraw/zinc/43/82/00/899438200.db2.gz WHKWVFVYCFHQDZ-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001267790140 899731334 /nfs/dbraw/zinc/73/13/34/899731334.db2.gz KWPXUYXPRNTULP-HUUCEWRRSA-N 2 0 290.411 1.943 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267969395 900115630 /nfs/dbraw/zinc/11/56/30/900115630.db2.gz GTPRWEUZKGWOBV-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001481346815 900466567 /nfs/dbraw/zinc/46/65/67/900466567.db2.gz FAUJVCSBSVEAMY-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001268037788 900706184 /nfs/dbraw/zinc/70/61/84/900706184.db2.gz NAGXXMIJJCBPQC-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001481485663 900888682 /nfs/dbraw/zinc/88/86/82/900888682.db2.gz JFLJLVYZSQAUIN-OWCLPIDISA-N 2 0 291.439 1.130 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC001268124650 901350254 /nfs/dbraw/zinc/35/02/54/901350254.db2.gz WUMWLEXJJTVFLC-INIZCTEOSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001268176663 901531600 /nfs/dbraw/zinc/53/16/00/901531600.db2.gz DIXHNQYCCRMXPH-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001268266662 901704194 /nfs/dbraw/zinc/70/41/94/901704194.db2.gz DOYXSRBLWVOYLR-HZPDHXFCSA-N 2 0 291.439 1.273 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001268293453 901770801 /nfs/dbraw/zinc/77/08/01/901770801.db2.gz CJBRNSKGRSWCOH-JKSUJKDBSA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268411241 902021404 /nfs/dbraw/zinc/02/14/04/902021404.db2.gz LHZGYLJQUXPGFL-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001481880478 902258993 /nfs/dbraw/zinc/25/89/93/902258993.db2.gz FLPOWJDAQWHYRM-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268482855 902322141 /nfs/dbraw/zinc/32/21/41/902322141.db2.gz YUSFOWFXNMEIEL-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268582078 902665427 /nfs/dbraw/zinc/66/54/27/902665427.db2.gz MNSDKSDQWWCZPA-XFCCUVRLSA-N 2 0 293.455 1.945 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CCCF)CC1 ZINC001482171107 902798743 /nfs/dbraw/zinc/79/87/43/902798743.db2.gz BNXWXDYZCYXHPN-CQSZACIVSA-N 2 0 297.418 1.033 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001268697267 902977961 /nfs/dbraw/zinc/97/79/61/902977961.db2.gz MBDWNOIPXLRPBH-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCC1 ZINC001270786024 905039146 /nfs/dbraw/zinc/03/91/46/905039146.db2.gz SGKHCSBKLGLGQK-UHFFFAOYSA-N 2 0 281.444 1.923 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001482369189 905217853 /nfs/dbraw/zinc/21/78/53/905217853.db2.gz LLMXLLSFFBUGDW-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271007028 905541735 /nfs/dbraw/zinc/54/17/35/905541735.db2.gz HGOWUFWFXGCAPD-RDJZCZTQSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001482650651 908116646 /nfs/dbraw/zinc/11/66/46/908116646.db2.gz XWKXEKFVMZPDNQ-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001567941719 1169080883 /nfs/dbraw/zinc/08/08/83/1169080883.db2.gz GVDDUHUGFCLEFV-MRXNPFEDSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483008377 908684040 /nfs/dbraw/zinc/68/40/40/908684040.db2.gz IUHVEESVCRCPSX-OGZRUICASA-N 2 0 291.439 1.556 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cnc1C ZINC001273584140 921567218 /nfs/dbraw/zinc/56/72/18/921567218.db2.gz LUXJGJBQBOQXDR-UHFFFAOYSA-N 2 0 278.400 1.617 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001409424763 910391970 /nfs/dbraw/zinc/39/19/70/910391970.db2.gz VIJPZSLYDQWZED-NEPJUHHUSA-N 2 0 287.835 1.564 10 30 CDEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484123404 915446225 /nfs/dbraw/zinc/44/62/25/915446225.db2.gz ARPROEPAIORMTH-INIZCTEOSA-N 2 0 279.428 1.487 10 30 CDEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001484401818 915727683 /nfs/dbraw/zinc/72/76/83/915727683.db2.gz SZNLCPCUVUGNHI-QGZVFWFLSA-N 2 0 299.418 1.190 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001484654717 915999878 /nfs/dbraw/zinc/99/98/78/915999878.db2.gz VQNURXNKRIAXPV-LSDHHAIUSA-N 2 0 291.439 1.818 10 30 CDEERP C#CC[C@@H](COC)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001183157169 918346009 /nfs/dbraw/zinc/34/60/09/918346009.db2.gz RFRDOHIFGYKVDY-CGZBRXJRSA-N 2 0 294.439 1.648 10 30 CDEERP CC#CC[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001486159129 920761537 /nfs/dbraw/zinc/76/15/37/920761537.db2.gz CMPVHHZEARSUGL-WBVHZDCISA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001273084630 921954741 /nfs/dbraw/zinc/95/47/41/921954741.db2.gz VQVWHEDRHYJSND-CQSZACIVSA-N 2 0 277.412 1.143 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491180625 936869748 /nfs/dbraw/zinc/86/97/48/936869748.db2.gz UKDFQLMBWJBPHW-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001491508235 936926470 /nfs/dbraw/zinc/92/64/70/936926470.db2.gz QGZNJMLKUVDWTJ-KGLIPLIRSA-N 2 0 290.411 1.506 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001568450932 1169294059 /nfs/dbraw/zinc/29/40/59/1169294059.db2.gz FPTWPVMOWMTYNO-GJZGRUSLSA-N 2 0 279.428 1.223 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001490777371 927342225 /nfs/dbraw/zinc/34/22/25/927342225.db2.gz PLXSZMYWOPQGCK-OAHLLOKOSA-N 2 0 279.428 1.130 10 30 CDEERP C=CCC[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262600 929643154 /nfs/dbraw/zinc/64/31/54/929643154.db2.gz QCXLQZZHQXHKHG-GDBMZVCRSA-N 2 0 275.396 1.919 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001274297877 931488970 /nfs/dbraw/zinc/48/89/70/931488970.db2.gz KQPSQDSBBXYHIN-IYKSTZQJSA-N 2 0 279.428 1.556 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001274368290 931494305 /nfs/dbraw/zinc/49/43/05/931494305.db2.gz LATRNZALDCJZLV-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC001118383420 937622096 /nfs/dbraw/zinc/62/20/96/937622096.db2.gz GVQJENSTLLBAED-MELADBBJSA-N 2 0 280.416 1.387 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001276588312 940390946 /nfs/dbraw/zinc/39/09/46/940390946.db2.gz HNYQWIIHGGEXIW-BPLDGKMQSA-N 2 0 279.428 1.387 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001316621209 942729965 /nfs/dbraw/zinc/72/99/65/942729965.db2.gz ZKTFRZPGGXXFTQ-OTVXOJSOSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001282627394 942733768 /nfs/dbraw/zinc/73/37/68/942733768.db2.gz MTASPEMQBUCBBQ-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001282884449 942765307 /nfs/dbraw/zinc/76/53/07/942765307.db2.gz COTUOIZSGMDJII-PHZGNYQRSA-N 2 0 293.455 1.587 10 30 CDEERP C=CC[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001283233313 942862917 /nfs/dbraw/zinc/86/29/17/942862917.db2.gz RXKYCJJUTCXYFO-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001283616936 942948374 /nfs/dbraw/zinc/94/83/74/942948374.db2.gz CWVCHDLIXKLIMW-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001284001534 943044273 /nfs/dbraw/zinc/04/42/73/943044273.db2.gz BPLAGCZNEMNDQZ-CABCVRRESA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001284025456 943053203 /nfs/dbraw/zinc/05/32/03/943053203.db2.gz KZPXHTSYTWDUEI-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001284097433 943077655 /nfs/dbraw/zinc/07/76/55/943077655.db2.gz RBPWSOGENXBZLE-OWCLPIDISA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001284543846 943206562 /nfs/dbraw/zinc/20/65/62/943206562.db2.gz AHAJQLDWIVWRKB-UHFFFAOYSA-N 2 0 279.428 1.130 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)CCC[NH+]1CCCC1)C(C)(C)C ZINC001284653492 943234397 /nfs/dbraw/zinc/23/43/97/943234397.db2.gz SNVORKHUZAQRBN-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001277663377 943269877 /nfs/dbraw/zinc/26/98/77/943269877.db2.gz WKRQOXRXKUPUOC-HZPDHXFCSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001263872663 944017049 /nfs/dbraw/zinc/01/70/49/944017049.db2.gz RXBOHBFOVWYGHW-RBSFLKMASA-N 2 0 279.428 1.080 10 30 CDEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001264115589 944081480 /nfs/dbraw/zinc/08/14/80/944081480.db2.gz ZJECDJKCBXYLDF-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001265361826 944359344 /nfs/dbraw/zinc/35/93/44/944359344.db2.gz CPZOMRIEPFYAMU-CQSZACIVSA-N 2 0 277.412 1.285 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265623864 944450244 /nfs/dbraw/zinc/45/02/44/944450244.db2.gz GADHUEOELYDIMD-HZPDHXFCSA-N 2 0 295.471 1.977 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265702745 944474562 /nfs/dbraw/zinc/47/45/62/944474562.db2.gz HJIYSLFMOUJTCO-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265928520 944578265 /nfs/dbraw/zinc/57/82/65/944578265.db2.gz FYKRCIXXVLYHHO-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266226248 944770253 /nfs/dbraw/zinc/77/02/53/944770253.db2.gz ZSNLPZZNJXUNCH-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001479527048 971338206 /nfs/dbraw/zinc/33/82/06/971338206.db2.gz YPGOCUBDVIJRIG-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001479738672 971389702 /nfs/dbraw/zinc/38/97/02/971389702.db2.gz LNMGYLMWVMCRJZ-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH+](CCCNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001479875528 971464827 /nfs/dbraw/zinc/46/48/27/971464827.db2.gz CJBAHOUDAMBBPO-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001479894681 971472218 /nfs/dbraw/zinc/47/22/18/971472218.db2.gz ZXDRCCSGHQVJNM-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001278459800 948383250 /nfs/dbraw/zinc/38/32/50/948383250.db2.gz OHOCCMMLRZCJIH-GDBMZVCRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C ZINC001279022771 948610428 /nfs/dbraw/zinc/61/04/28/948610428.db2.gz XWDGHARTQJEZGE-ZDUSSCGKSA-N 2 0 269.433 1.635 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)C1CC1 ZINC001480053554 971555047 /nfs/dbraw/zinc/55/50/47/971555047.db2.gz NPCGRIDAEPMCSF-BXUZGUMPSA-N 2 0 276.384 1.259 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001480090342 971572971 /nfs/dbraw/zinc/57/29/71/971572971.db2.gz YVTJFCGOCHBLIN-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001375252305 974304709 /nfs/dbraw/zinc/30/47/09/974304709.db2.gz NWZVJXBSFPGRNP-LBPRGKRZSA-N 2 0 273.808 1.175 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480294668 971662160 /nfs/dbraw/zinc/66/21/60/971662160.db2.gz MVNQFPAROBPGMO-JKSUJKDBSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001480323314 971671199 /nfs/dbraw/zinc/67/11/99/971671199.db2.gz JQKKVTFGWMCNFY-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001480832741 971898678 /nfs/dbraw/zinc/89/86/78/971898678.db2.gz FTFUNIOEQXJJIZ-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001324614436 953473742 /nfs/dbraw/zinc/47/37/42/953473742.db2.gz HBQIWTOTFURUCF-INMHGKMJSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001325469375 953914264 /nfs/dbraw/zinc/91/42/64/953914264.db2.gz XYLAEXFJHXLIDC-TZMCWYRMSA-N 2 0 290.411 1.663 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001325527365 953949022 /nfs/dbraw/zinc/94/90/22/953949022.db2.gz RQUXHEXEZOIWLD-KBPBESRZSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001493748926 972110201 /nfs/dbraw/zinc/11/02/01/972110201.db2.gz UHLUENZVJVCIMI-UHFFFAOYSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001421947651 955668729 /nfs/dbraw/zinc/66/87/29/955668729.db2.gz VKDBCNGUGHOXCV-WCQYABFASA-N 2 0 287.835 1.517 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001493884807 972133883 /nfs/dbraw/zinc/13/38/83/972133883.db2.gz CBMLJYYKODMTIT-JKSUJKDBSA-N 2 0 287.407 1.714 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001493902311 972134897 /nfs/dbraw/zinc/13/48/97/972134897.db2.gz AMQZRPMKEIZSMO-KRWDZBQOSA-N 2 0 299.418 1.553 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001493902971 972135478 /nfs/dbraw/zinc/13/54/78/972135478.db2.gz GMHKBJYFGXPXRD-DLBZAZTESA-N 2 0 299.418 1.409 10 30 CDEERP C#CCC[NH+]1CC[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494073131 972172284 /nfs/dbraw/zinc/17/22/84/972172284.db2.gz ICIGLPOPXVQSMY-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+][C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001331213902 956893452 /nfs/dbraw/zinc/89/34/52/956893452.db2.gz GYQOEJXFLASUEX-LSDHHAIUSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001317017446 957204967 /nfs/dbraw/zinc/20/49/67/957204967.db2.gz DHBXJRQTQHEDQY-HZPDHXFCSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001317080548 957255229 /nfs/dbraw/zinc/25/52/29/957255229.db2.gz ZZAVKVHSICTANJ-FPCVCCKLSA-N 2 0 289.423 1.263 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001317161083 957313906 /nfs/dbraw/zinc/31/39/06/957313906.db2.gz FVJDCCREIOFPQJ-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001332121165 957440247 /nfs/dbraw/zinc/44/02/47/957440247.db2.gz XRVFORAQAGOVOG-HOCLYGCPSA-N 2 0 277.412 1.073 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317511766 957521660 /nfs/dbraw/zinc/52/16/60/957521660.db2.gz DAWKZHMGQGNCTM-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001317598051 957590219 /nfs/dbraw/zinc/59/02/19/957590219.db2.gz FXQKJQNOXMQCCQ-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001332516130 957602276 /nfs/dbraw/zinc/60/22/76/957602276.db2.gz JVCSAQHNNHQMKL-KBPBESRZSA-N 2 0 265.401 1.271 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001332928371 957949938 /nfs/dbraw/zinc/94/99/38/957949938.db2.gz HXHZAPZPQZUYHQ-AWEZNQCLSA-N 2 0 274.368 1.173 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001318482649 958125088 /nfs/dbraw/zinc/12/50/88/958125088.db2.gz LADDPZAFGSGICF-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001319251373 958457368 /nfs/dbraw/zinc/45/73/68/958457368.db2.gz RSEOXIZRKKEBPX-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001319373971 958522729 /nfs/dbraw/zinc/52/27/29/958522729.db2.gz ALKZVRZTAXOXDS-UHFFFAOYSA-N 2 0 267.417 1.533 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001319711850 958695558 /nfs/dbraw/zinc/69/55/58/958695558.db2.gz IBHLNVMBBAKIKT-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001319819545 958737935 /nfs/dbraw/zinc/73/79/35/958737935.db2.gz UNGPMGQOKXRTLI-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001569320805 1169763590 /nfs/dbraw/zinc/76/35/90/1169763590.db2.gz BKDUVVTXCKKFAU-MRXNPFEDSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001321304170 959706413 /nfs/dbraw/zinc/70/64/13/959706413.db2.gz MUIWZZWZFOTQPB-AATRIKPKSA-N 2 0 277.412 1.004 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321848324 959984909 /nfs/dbraw/zinc/98/49/09/959984909.db2.gz FXUGFTLFQCUGKP-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001322003884 960050757 /nfs/dbraw/zinc/05/07/57/960050757.db2.gz GCQRRMNXBMUXDO-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001322299690 960173009 /nfs/dbraw/zinc/17/30/09/960173009.db2.gz WIOSISIPBSVTGT-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001322305598 960176684 /nfs/dbraw/zinc/17/66/84/960176684.db2.gz FPAULZLEQMLUNM-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001569382970 1169836750 /nfs/dbraw/zinc/83/67/50/1169836750.db2.gz IGACQGLLAHJMPZ-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001540797936 967173068 /nfs/dbraw/zinc/17/30/68/967173068.db2.gz KLUYSOOZTVTAHZ-JSGCOSHPSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH+]1CCC(C)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001569577172 1169929577 /nfs/dbraw/zinc/92/95/77/1169929577.db2.gz HQFPKUVPERVCAI-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001355339709 969130298 /nfs/dbraw/zinc/13/02/98/969130298.db2.gz QCQSMAMHRDMGEB-IPYPFGDCSA-N 2 0 265.401 1.400 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001355450994 969163483 /nfs/dbraw/zinc/16/34/83/969163483.db2.gz DTHMSSIHSJSWTC-ZDUSSCGKSA-N 2 0 265.401 1.318 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001496358667 972898315 /nfs/dbraw/zinc/89/83/15/972898315.db2.gz CKLBJPMIKJGNIO-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001496596722 972982924 /nfs/dbraw/zinc/98/29/24/972982924.db2.gz WBWRUOHKMUVQGV-KGLIPLIRSA-N 2 0 267.417 1.387 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001497329511 973287549 /nfs/dbraw/zinc/28/75/49/973287549.db2.gz CAADNWKEGTVHME-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001498053776 973652561 /nfs/dbraw/zinc/65/25/61/973652561.db2.gz SAPFMKSOPVUYQZ-ZFWWWQNUSA-N 2 0 277.412 1.121 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501647204 974615474 /nfs/dbraw/zinc/61/54/74/974615474.db2.gz DOMJDCYEYHHXTQ-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001505632461 974943691 /nfs/dbraw/zinc/94/36/91/974943691.db2.gz LHMYOKWEZFEAOR-UONOGXRCSA-N 2 0 297.443 1.014 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001506613836 975189938 /nfs/dbraw/zinc/18/99/38/975189938.db2.gz HHJOQBYRMALXIX-GXTWGEPZSA-N 2 0 285.407 1.289 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001507100707 975334867 /nfs/dbraw/zinc/33/48/67/975334867.db2.gz LLASXECXASHJSN-CYBMUJFWSA-N 2 0 299.378 1.503 10 30 CDEERP C=CCCC[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001508141143 975622393 /nfs/dbraw/zinc/62/23/93/975622393.db2.gz OMCNTRKINGYWAP-QQFBHYJXSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001400798701 977194853 /nfs/dbraw/zinc/19/48/53/977194853.db2.gz GUBIFWRANKGVLH-UONOGXRCSA-N 2 0 299.846 1.565 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001674851926 1174015814 /nfs/dbraw/zinc/01/58/14/1174015814.db2.gz PSKZIUJZIJFMPD-GJZGRUSLSA-N 2 0 295.471 1.977 10 30 CDEERP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001675258261 1174090926 /nfs/dbraw/zinc/09/09/26/1174090926.db2.gz RJQYMYYKDUKNKK-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001676175258 1174187599 /nfs/dbraw/zinc/18/75/99/1174187599.db2.gz DEFOWZUXWWKDAM-HUUCEWRRSA-N 2 0 281.444 1.470 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1(C)C ZINC001677023801 1174309719 /nfs/dbraw/zinc/30/97/19/1174309719.db2.gz PKRLXNULCUJMAL-CQSZACIVSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001677357497 1174352916 /nfs/dbraw/zinc/35/29/16/1174352916.db2.gz MKAXSMGHVMAOQZ-AWEZNQCLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001570715918 1170250344 /nfs/dbraw/zinc/25/03/44/1170250344.db2.gz JVPWCWUYZNOYEB-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C ZINC001571635268 1170502958 /nfs/dbraw/zinc/50/29/58/1170502958.db2.gz BIDIFKRHGZRJIN-CQSZACIVSA-N 2 0 281.444 1.472 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001571661147 1170512768 /nfs/dbraw/zinc/51/27/68/1170512768.db2.gz DRBFFUHULUWJRR-UHFFFAOYSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001571664635 1170514170 /nfs/dbraw/zinc/51/41/70/1170514170.db2.gz PGPUKEHGUVDCEK-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC1(C#N)CC1 ZINC000590245699 342527324 /nfs/dbraw/zinc/52/73/24/342527324.db2.gz GPXSOLKAAOIDLY-UHFFFAOYSA-N 2 0 294.443 1.412 10 30 CDEERP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438583 342906167 /nfs/dbraw/zinc/90/61/67/342906167.db2.gz OMXZJTOAPNOELL-KBPBESRZSA-N 2 0 280.416 1.388 10 30 CDEERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594439786 342907188 /nfs/dbraw/zinc/90/71/88/342907188.db2.gz ZSVCYMRGBXTVOQ-LSDHHAIUSA-N 2 0 294.443 1.492 10 30 CDEERP CC[NH+](CC)CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600713326 342243896 /nfs/dbraw/zinc/24/38/96/342243896.db2.gz HQZYPNUXJYXNAK-OAHLLOKOSA-N 2 0 297.443 1.379 10 30 CDEERP C[C@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)C[NH+]1CCCCC1 ZINC000600722220 342244835 /nfs/dbraw/zinc/24/48/35/342244835.db2.gz ZNFYRMLLODPDHJ-HUUCEWRRSA-N 2 0 279.428 1.753 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000594424419 342904008 /nfs/dbraw/zinc/90/40/08/342904008.db2.gz DIFHFUNZBOPNDX-HNNXBMFYSA-N 2 0 292.427 1.388 10 30 CDEERP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595936583 343201935 /nfs/dbraw/zinc/20/19/35/343201935.db2.gz OHHLCDXCJAFNLE-GJZGRUSLSA-N 2 0 292.427 1.246 10 30 CDEERP CC[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(C#N)cc1 ZINC000600708317 349875819 /nfs/dbraw/zinc/87/58/19/349875819.db2.gz FQNFTNPBMPEEJJ-OAHLLOKOSA-N 2 0 261.369 1.964 10 30 CDEERP C=C(C)C[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001660628625 1172245504 /nfs/dbraw/zinc/24/55/04/1172245504.db2.gz ZNCAWELCCVJBRU-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP N#Cc1csc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000385992592 366905152 /nfs/dbraw/zinc/90/51/52/366905152.db2.gz BCXCYRTXENPMFJ-JTQLQIEISA-N 2 0 262.382 1.589 10 30 CDEERP C=CCC[C@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000305067435 370840641 /nfs/dbraw/zinc/84/06/41/370840641.db2.gz IFYXMUMBLUOFFI-SJORKVTESA-N 2 0 295.471 1.415 10 30 CDEERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528399985 367826092 /nfs/dbraw/zinc/82/60/92/367826092.db2.gz MIKXKUZYXLFUQS-GJZGRUSLSA-N 2 0 279.428 1.705 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CCC[NH2+]1 ZINC000639030404 377302242 /nfs/dbraw/zinc/30/22/42/377302242.db2.gz UTVYDKWLNKQWGY-OBJOEFQTSA-N 2 0 251.374 1.071 10 30 CDEERP C=CC[C@@]1(C(=O)Nc2cccc(C[NH3+])c2)CCC[NH2+]1 ZINC000662392824 412952077 /nfs/dbraw/zinc/95/20/77/412952077.db2.gz LPAMIAOQPIAAON-HNNXBMFYSA-N 2 0 259.353 1.782 10 30 CDEERP C=CC[C@@]1(C(=O)NCC([NH3+])(CC)CC)CCC[NH2+]1 ZINC000662426556 413003941 /nfs/dbraw/zinc/00/39/41/413003941.db2.gz UWEKURMDXFDFAU-AWEZNQCLSA-N 2 0 253.390 1.318 10 30 CDEERP C=CC[C@@]1(C(=O)N(C)CC[C@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000662427498 413006020 /nfs/dbraw/zinc/00/60/20/413006020.db2.gz HZIKVAYYGDCRRT-ZFWWWQNUSA-N 2 0 267.417 1.517 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001663339458 1172675489 /nfs/dbraw/zinc/67/54/89/1172675489.db2.gz KXWOSTRKZGMOEH-UHFFFAOYSA-N 2 0 267.417 1.487 10 30 CDEERP C=CC[C@]1(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000662684168 413307647 /nfs/dbraw/zinc/30/76/47/413307647.db2.gz BCFXYVUTWOQGBK-GDBMZVCRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCC[NH2+]1 ZINC000662718675 413375327 /nfs/dbraw/zinc/37/53/27/413375327.db2.gz RJKNAVSIGHLSLS-DOTOQJQBSA-N 2 0 291.439 1.772 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[N@H+]2CC[C@H](C)C2)CCC[NH2+]1 ZINC000662746686 413421510 /nfs/dbraw/zinc/42/15/10/413421510.db2.gz QQWGKVWRMUWAHT-ZFWWWQNUSA-N 2 0 265.401 1.143 10 30 CDEERP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020315958 171145853 /nfs/dbraw/zinc/14/58/53/171145853.db2.gz SQKFSVSUWMEXBI-KBPBESRZSA-N 2 0 269.433 1.777 10 30 CDEERP CN[C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190763 176067467 /nfs/dbraw/zinc/06/74/67/176067467.db2.gz KTUYBRKSZITEAM-UONOGXRCSA-N 2 0 252.406 1.152 10 30 CDEERP C[NH+]=C(NCc1nccs1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245614579 260815374 /nfs/dbraw/zinc/81/53/74/260815374.db2.gz MESHNXSETWJCAU-VXGBXAGGSA-N 2 0 295.456 1.537 10 30 CDEERP CC(C)[NH+](CC#CC[N@@H+](C[C@H](C)O)C(C)C)C[C@H](C)O ZINC000341879200 263362454 /nfs/dbraw/zinc/36/24/54/263362454.db2.gz AYJBABXMEFLPLF-HOTGVXAUSA-N 2 0 284.444 1.172 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001666982320 1173216066 /nfs/dbraw/zinc/21/60/66/1173216066.db2.gz HAZYRBUDAJJXTP-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001671867588 1173716218 /nfs/dbraw/zinc/71/62/18/1173716218.db2.gz FJUXCMXLNOIOSW-UHFFFAOYSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001698862159 1159133869 /nfs/dbraw/zinc/13/38/69/1159133869.db2.gz VIJLYRMZYRZAAN-CQSZACIVSA-N 2 0 269.433 1.729 10 30 CDEERP C[C@H]1CN(C(=[NH2+])NCC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC000262457768 330014348 /nfs/dbraw/zinc/01/43/48/330014348.db2.gz LOQKCSNLMSRMMK-ZDUSSCGKSA-N 2 0 282.432 1.144 10 30 CDEERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262496801 330017854 /nfs/dbraw/zinc/01/78/54/330017854.db2.gz WUVVWQUHHFLSHN-ZIAGYGMSSA-N 2 0 296.459 1.532 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1C(F)F ZINC000263191343 330048308 /nfs/dbraw/zinc/04/83/08/330048308.db2.gz YNVPDTFKFXWJIQ-UTLUCORTSA-N 2 0 260.332 1.029 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CC12CCCC2 ZINC000263270289 330051375 /nfs/dbraw/zinc/05/13/75/330051375.db2.gz OYZOCQAENICIFY-STQMWFEESA-N 2 0 264.417 1.708 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001267313287 1159257402 /nfs/dbraw/zinc/25/74/02/1159257402.db2.gz FUFABPUZJQHBDA-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001481059937 1159507377 /nfs/dbraw/zinc/50/73/77/1159507377.db2.gz WLPPZRUJDKJYTA-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001670808084 1160170905 /nfs/dbraw/zinc/17/09/05/1160170905.db2.gz VDLLKRHRYZCHOS-GJZGRUSLSA-N 2 0 291.439 1.818 10 30 CDEERP C[NH+]1CCN(CCC[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921504853 1161307827 /nfs/dbraw/zinc/30/78/27/1161307827.db2.gz DYRIABSXYOJECQ-UHFFFAOYSA-N 2 0 278.425 1.347 10 30 CDEERP CCC[N@H+](CCO)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049609659 521667192 /nfs/dbraw/zinc/66/71/92/521667192.db2.gz BYXGXCSCOJFYJN-UHFFFAOYSA-N 2 0 276.380 1.210 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001714723814 1179359327 /nfs/dbraw/zinc/35/93/27/1179359327.db2.gz KMPKFQUENXIZLD-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP CC(C)C[NH+]1CCN(Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000055080698 519726523 /nfs/dbraw/zinc/72/65/23/519726523.db2.gz KGHNDRAVCQZTSY-UHFFFAOYSA-N 2 0 291.464 1.832 10 30 CDEERP C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccccc1C#CC[NH3+] ZINC000061655671 521834392 /nfs/dbraw/zinc/83/43/92/521834392.db2.gz URXCCQSNJMYNEW-HNNXBMFYSA-N 2 0 285.391 1.163 10 30 CDEERP C[N@H+](CCOc1ccc(C#CC[NH3+])cc1)C[C@@H]1CCCO1 ZINC000049609671 522906029 /nfs/dbraw/zinc/90/60/29/522906029.db2.gz JSOFONWZKRLFBO-KRWDZBQOSA-N 2 0 288.391 1.486 10 30 CDEERP [NH3+]CC#Cc1ccsc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763107 527154785 /nfs/dbraw/zinc/15/47/85/527154785.db2.gz KVRGZESKTNXGFE-CQSZACIVSA-N 2 0 278.421 1.795 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001690227343 1175409028 /nfs/dbraw/zinc/40/90/28/1175409028.db2.gz MYVKMQMELIECNZ-QWHCGFSZSA-N 2 0 271.380 1.043 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000939389733 613874590 /nfs/dbraw/zinc/87/45/90/613874590.db2.gz WDJLERGFPMPYGG-GJZGRUSLSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000900563513 623234735 /nfs/dbraw/zinc/23/47/35/623234735.db2.gz OTKJDJDFNGOVCR-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000900802560 623553754 /nfs/dbraw/zinc/55/37/54/623553754.db2.gz WFHPRZNXXCREQY-HUUCEWRRSA-N 2 0 281.444 1.826 10 30 CDEERP C=CCCn1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)nn1 ZINC000903498260 626008816 /nfs/dbraw/zinc/00/88/16/626008816.db2.gz ARYWFMCDCJFMBD-CHWSQXEVSA-N 2 0 263.389 1.271 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000911580048 629337875 /nfs/dbraw/zinc/33/78/75/629337875.db2.gz QHSBCZAJNWDGAY-QWHCGFSZSA-N 2 0 267.417 1.339 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001698732515 1159026789 /nfs/dbraw/zinc/02/67/89/1159026789.db2.gz SZJAGVBUTLEUAH-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001691352436 1159032942 /nfs/dbraw/zinc/03/29/42/1159032942.db2.gz WKHJRPQHAXAXDW-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001481682827 1159874640 /nfs/dbraw/zinc/87/46/40/1159874640.db2.gz LKHWGLVWYMRDCM-PMPSAXMXSA-N 2 0 291.439 1.722 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001691660919 1161441636 /nfs/dbraw/zinc/44/16/36/1161441636.db2.gz IWTYHLVPWDQPBD-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1CCC ZINC000876798484 1165918729 /nfs/dbraw/zinc/91/87/29/1165918729.db2.gz ZUKCLDRJYLWYLP-QWRGUYRKSA-N 2 0 259.781 1.057 10 30 CDEERP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001567175223 1168606121 /nfs/dbraw/zinc/60/61/21/1168606121.db2.gz WUKURFGAQCNDHM-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001568180467 1169165442 /nfs/dbraw/zinc/16/54/42/1169165442.db2.gz RBSHBBOALONWCM-HNNXBMFYSA-N 2 0 291.439 1.228 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001568206308 1169177998 /nfs/dbraw/zinc/17/79/98/1169177998.db2.gz UKXWIRJCQCCCIQ-OLZOCXBDSA-N 2 0 255.406 1.101 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001568367652 1169262975 /nfs/dbraw/zinc/26/29/75/1169262975.db2.gz IDRRZYCAMNULOQ-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001569125420 1169673190 /nfs/dbraw/zinc/67/31/90/1169673190.db2.gz UYTDVEVOWOYZTF-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001571125819 1170338671 /nfs/dbraw/zinc/33/86/71/1170338671.db2.gz OGUGXVMZZQOSKM-KKUMJFAQSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@H]12 ZINC001571501180 1170456392 /nfs/dbraw/zinc/45/63/92/1170456392.db2.gz NOZZXBBZSVCVHV-RDJZCZTQSA-N 2 0 289.423 1.217 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001571545674 1170473006 /nfs/dbraw/zinc/47/30/06/1170473006.db2.gz FPEDJQDDICHNFY-HZPDHXFCSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001571630328 1170502199 /nfs/dbraw/zinc/50/21/99/1170502199.db2.gz FHNLZQCTOPWTDK-CQSZACIVSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001650379052 1171001930 /nfs/dbraw/zinc/00/19/30/1171001930.db2.gz KMWIGLRUSAXETD-AAEUAGOBSA-N 2 0 293.798 1.936 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001664849629 1172920987 /nfs/dbraw/zinc/92/09/87/1172920987.db2.gz SRXAGPLVLRYCRO-GJZGRUSLSA-N 2 0 281.444 1.683 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001672372368 1173768860 /nfs/dbraw/zinc/76/88/60/1173768860.db2.gz CAHDWSCRXIYHQX-BZUAXINKSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001674835524 1174015115 /nfs/dbraw/zinc/01/51/15/1174015115.db2.gz PKHJUQZXPCLOOJ-UHFFFAOYSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001676679805 1174253937 /nfs/dbraw/zinc/25/39/37/1174253937.db2.gz DVYRPCHWVDYGOV-CVEARBPZSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001676966555 1174301587 /nfs/dbraw/zinc/30/15/87/1174301587.db2.gz ZNMIUDANGDJFGY-JKSUJKDBSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001690596379 1175517314 /nfs/dbraw/zinc/51/73/14/1175517314.db2.gz QZWLSUNWKHJXFJ-NSHDSACASA-N 2 0 272.352 1.537 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001690751543 1175564053 /nfs/dbraw/zinc/56/40/53/1175564053.db2.gz MXZIQCLUYJPLQM-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690788734 1175572946 /nfs/dbraw/zinc/57/29/46/1175572946.db2.gz VJJANIPFTIRPCA-HZPDHXFCSA-N 2 0 291.439 1.513 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001691876060 1175643736 /nfs/dbraw/zinc/64/37/36/1175643736.db2.gz RSHNSQNRAISWRK-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001692166381 1175688019 /nfs/dbraw/zinc/68/80/19/1175688019.db2.gz BNDBNFDUXFQSNX-ILXRZTDVSA-N 2 0 299.434 1.821 10 30 CDEERP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)CC(C)(C)C1 ZINC001692280139 1175723180 /nfs/dbraw/zinc/72/31/80/1175723180.db2.gz PQNACEMVAHEURQ-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001692370357 1175753624 /nfs/dbraw/zinc/75/36/24/1175753624.db2.gz LISXMVXDLHAUHZ-ILXRZTDVSA-N 2 0 281.444 1.728 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001698605208 1175869240 /nfs/dbraw/zinc/86/92/40/1175869240.db2.gz UKEBBGGDKOKMJJ-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001698899114 1175980484 /nfs/dbraw/zinc/98/04/84/1175980484.db2.gz OZUSBXGCIFHMKW-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001698903058 1175981046 /nfs/dbraw/zinc/98/10/46/1175981046.db2.gz ZURWBMCDCONXEJ-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001698919117 1175984857 /nfs/dbraw/zinc/98/48/57/1175984857.db2.gz WOBZGJRXUULXDU-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699141195 1176110507 /nfs/dbraw/zinc/11/05/07/1176110507.db2.gz SFDYBLNTFXXAOZ-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001699186471 1176132226 /nfs/dbraw/zinc/13/22/26/1176132226.db2.gz KBLLFNNSJLLXPW-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001699188843 1176133105 /nfs/dbraw/zinc/13/31/05/1176133105.db2.gz RGKMLNUTBGLISK-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699302995 1176209849 /nfs/dbraw/zinc/20/98/49/1176209849.db2.gz ROPPLKIZJUUMII-MRYXHSKJSA-N 2 0 299.846 1.731 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699313262 1176213815 /nfs/dbraw/zinc/21/38/15/1176213815.db2.gz BACDJMRLTZLKRG-JNXQLMTMSA-N 2 0 291.439 1.841 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001699595373 1176492044 /nfs/dbraw/zinc/49/20/44/1176492044.db2.gz YPBRCVIPNLAQCF-CWRNSKLLSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001699671446 1176564570 /nfs/dbraw/zinc/56/45/70/1176564570.db2.gz HCCQKXRYFOADCP-UHFFFAOYSA-N 2 0 265.401 1.287 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001699794282 1176624225 /nfs/dbraw/zinc/62/42/25/1176624225.db2.gz ZSLRZHKAPDHNEM-JKSUJKDBSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001699877407 1176665251 /nfs/dbraw/zinc/66/52/51/1176665251.db2.gz XGBDEUXAFQQXHS-QGZVFWFLSA-N 2 0 293.455 1.570 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001700282312 1176831463 /nfs/dbraw/zinc/83/14/63/1176831463.db2.gz POTQYLXSDYAZCO-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001700290788 1176834078 /nfs/dbraw/zinc/83/40/78/1176834078.db2.gz DJQIEDJAAMXSJK-CQSZACIVSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001700404715 1176909523 /nfs/dbraw/zinc/90/95/23/1176909523.db2.gz MBILCIHVULHHRV-ZIAGYGMSSA-N 2 0 277.412 1.121 10 30 CDEERP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001700530407 1176998113 /nfs/dbraw/zinc/99/81/13/1176998113.db2.gz CWXHIBFQUGOVEP-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001713002817 1178293095 /nfs/dbraw/zinc/29/30/95/1178293095.db2.gz OPAZJQVOTPKCJB-KBPBESRZSA-N 2 0 288.395 1.335 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001713137107 1178390055 /nfs/dbraw/zinc/39/00/55/1178390055.db2.gz UQEBQVQPTRBZJX-MRXNPFEDSA-N 2 0 291.439 1.276 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001713172785 1178412034 /nfs/dbraw/zinc/41/20/34/1178412034.db2.gz GGGLWUMRZZNXDO-KLHDSHLOSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001713172805 1178412557 /nfs/dbraw/zinc/41/25/57/1178412557.db2.gz HDGVQJQLLMFJQT-RBSFLKMASA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001713315071 1178491875 /nfs/dbraw/zinc/49/18/75/1178491875.db2.gz OCSWBHGJRFGSCH-GFCCVEGCSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001713654775 1178697702 /nfs/dbraw/zinc/69/77/02/1178697702.db2.gz KRGOUUZZKDNPCV-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001713739565 1178731113 /nfs/dbraw/zinc/73/11/13/1178731113.db2.gz FSNOMRMXCUBVPR-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001713979978 1178903155 /nfs/dbraw/zinc/90/31/55/1178903155.db2.gz TUJYZDYENVQLRX-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001714078325 1178963871 /nfs/dbraw/zinc/96/38/71/1178963871.db2.gz HBTUVVJIPXOXPL-OAHLLOKOSA-N 2 0 295.471 1.979 10 30 CDEERP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001714307828 1179077202 /nfs/dbraw/zinc/07/72/02/1179077202.db2.gz SSRYOQVXPDSIPJ-BZUAXINKSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001714309813 1179079028 /nfs/dbraw/zinc/07/90/28/1179079028.db2.gz RTBJWVQXSXJWFV-LLVKDONJSA-N 2 0 261.797 1.173 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001714338717 1179093124 /nfs/dbraw/zinc/09/31/24/1179093124.db2.gz OLHSJTNCXRXTMS-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001714817409 1179409110 /nfs/dbraw/zinc/40/91/10/1179409110.db2.gz VJWOBUDYCGUZBK-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CCC ZINC001714995318 1179497600 /nfs/dbraw/zinc/49/76/00/1179497600.db2.gz PSOIAOIDNCBXCI-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001715238815 1179591867 /nfs/dbraw/zinc/59/18/67/1179591867.db2.gz IUXMOUSQPWDANC-HUUCEWRRSA-N 2 0 281.444 1.635 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001715308705 1179618576 /nfs/dbraw/zinc/61/85/76/1179618576.db2.gz CZIIMMCCGFUYOZ-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001715406984 1179659205 /nfs/dbraw/zinc/65/92/05/1179659205.db2.gz ZURBQLKEICXXLP-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)C ZINC001715492579 1179681668 /nfs/dbraw/zinc/68/16/68/1179681668.db2.gz QQPLEXUIGPKUSD-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001715825991 1179851556 /nfs/dbraw/zinc/85/15/56/1179851556.db2.gz IBIBWDPZYUXIRF-WSNITJDQSA-N 2 0 265.401 1.309 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001716334460 1180159303 /nfs/dbraw/zinc/15/93/03/1180159303.db2.gz RWVHFKUSHBIMPI-FYCOFBDGSA-N 2 0 291.439 1.394 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H](C)C1 ZINC001716769666 1180407281 /nfs/dbraw/zinc/40/72/81/1180407281.db2.gz DNORSLSSEOEJKG-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001716886701 1180453080 /nfs/dbraw/zinc/45/30/80/1180453080.db2.gz ZEWBKQSETCSNAL-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001716987635 1180493249 /nfs/dbraw/zinc/49/32/49/1180493249.db2.gz MYJJTORTSFBJFI-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001717000780 1180497473 /nfs/dbraw/zinc/49/74/73/1180497473.db2.gz CAHDWSCRXIYHQX-JYJNAYRXSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001717012800 1180501556 /nfs/dbraw/zinc/50/15/56/1180501556.db2.gz PTWNMCMWGLCTCM-GASCZTMLSA-N 2 0 279.428 1.295 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001717293655 1180608020 /nfs/dbraw/zinc/60/80/20/1180608020.db2.gz PTGRIIALAMRCDS-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001717304543 1180611489 /nfs/dbraw/zinc/61/14/89/1180611489.db2.gz KAABRHMRDHKGRT-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[N@@H+](CC)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001717356980 1180626709 /nfs/dbraw/zinc/62/67/09/1180626709.db2.gz SXRIJTVRSKYHOI-UHFFFAOYSA-N 2 0 279.428 1.132 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001717477641 1180695717 /nfs/dbraw/zinc/69/57/17/1180695717.db2.gz BLVDNFBNQHQYDW-CABCVRRESA-N 2 0 281.444 1.729 10 30 CDEERP C=CCCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001717588069 1180750652 /nfs/dbraw/zinc/75/06/52/1180750652.db2.gz SBRXSNCMNKPRPE-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717736665 1180818036 /nfs/dbraw/zinc/81/80/36/1180818036.db2.gz VSAWXZPCZJBENW-HZPDHXFCSA-N 2 0 293.455 1.423 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001723963818 1181625953 /nfs/dbraw/zinc/62/59/53/1181625953.db2.gz NCZREGDCYHLVPX-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001724601843 1181701838 /nfs/dbraw/zinc/70/18/38/1181701838.db2.gz BUFAPZZMXGHHSI-KGLIPLIRSA-N 2 0 267.417 1.197 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001724861330 1181780512 /nfs/dbraw/zinc/78/05/12/1181780512.db2.gz SPPCIWHYSGEMAP-HUUCEWRRSA-N 2 0 281.444 1.826 10 30 CDEERP C#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001725002902 1181819849 /nfs/dbraw/zinc/81/98/49/1181819849.db2.gz MQVMWRFHWKLDIW-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001725010988 1181823776 /nfs/dbraw/zinc/82/37/76/1181823776.db2.gz CTIGOYUYCPAVJE-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001725284274 1181951829 /nfs/dbraw/zinc/95/18/29/1181951829.db2.gz BMTGUKMXXFEMGH-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001725636365 1182079778 /nfs/dbraw/zinc/07/97/78/1182079778.db2.gz QWQBQAFNOKFEMX-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001731479165 1182410432 /nfs/dbraw/zinc/41/04/32/1182410432.db2.gz NKWBPJNAQAAHEM-QKPAOTATSA-N 2 0 289.423 1.263 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001731479163 1182410596 /nfs/dbraw/zinc/41/05/96/1182410596.db2.gz NKWBPJNAQAAHEM-FZKCQIBNSA-N 2 0 289.423 1.263 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001731547112 1182445348 /nfs/dbraw/zinc/44/53/48/1182445348.db2.gz KCWORINAPDQDNT-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001731561098 1182448408 /nfs/dbraw/zinc/44/84/08/1182448408.db2.gz YRXWGYLYKBKHHU-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001731695696 1182520581 /nfs/dbraw/zinc/52/05/81/1182520581.db2.gz TZJSVMQCQYIILY-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)Cn1ccnc1C(C)C ZINC001731813163 1182601493 /nfs/dbraw/zinc/60/14/93/1182601493.db2.gz LTEWACXUBLMDDY-UHFFFAOYSA-N 2 0 276.384 1.078 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001732055517 1182743446 /nfs/dbraw/zinc/74/34/46/1182743446.db2.gz YJLXUSXYTCRJTC-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001732147839 1182804816 /nfs/dbraw/zinc/80/48/16/1182804816.db2.gz XZXSKCPVLLIIMJ-KBPBESRZSA-N 2 0 265.401 1.189 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001732529742 1182996795 /nfs/dbraw/zinc/99/67/95/1182996795.db2.gz FIHALPQUTGSBAN-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732700692 1183092463 /nfs/dbraw/zinc/09/24/63/1183092463.db2.gz DPKOKVVHXSVSIY-GFCCVEGCSA-N 2 0 287.835 1.708 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001733049779 1183263998 /nfs/dbraw/zinc/26/39/98/1183263998.db2.gz MXVBWNATJUYSAN-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001733177641 1183318367 /nfs/dbraw/zinc/31/83/67/1183318367.db2.gz SKSPEDCVUFAWSG-OAHLLOKOSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001733348169 1183405443 /nfs/dbraw/zinc/40/54/43/1183405443.db2.gz FRSWZHPYAHSEQX-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001733606983 1183478410 /nfs/dbraw/zinc/47/84/10/1183478410.db2.gz MPJBPRJLBOXGMP-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001733762173 1183524012 /nfs/dbraw/zinc/52/40/12/1183524012.db2.gz HSHPZSBYKBIRPB-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001733852831 1183549986 /nfs/dbraw/zinc/54/99/86/1183549986.db2.gz WGCLUDCJDAFUOV-GJZGRUSLSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001733930936 1183572227 /nfs/dbraw/zinc/57/22/27/1183572227.db2.gz ZULNISCQQPOJSI-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001733939175 1183577307 /nfs/dbraw/zinc/57/73/07/1183577307.db2.gz WCNLGYORPBNVJP-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001734174770 1183682919 /nfs/dbraw/zinc/68/29/19/1183682919.db2.gz YCYLWVWVYIUGEI-QKDCVEJESA-N 2 0 279.428 1.198 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001734243216 1183702081 /nfs/dbraw/zinc/70/20/81/1183702081.db2.gz WVLWWGMSMCLENA-ZDUSSCGKSA-N 2 0 298.390 1.764 10 30 CDEERP C=CCC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001734290939 1183714362 /nfs/dbraw/zinc/71/43/62/1183714362.db2.gz UFRFCIVVTMAINS-HUUCEWRRSA-N 2 0 281.444 1.635 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001691708817 1164428477 /nfs/dbraw/zinc/42/84/77/1164428477.db2.gz IELYVBHDMZRLQA-XHSDSOJGSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)CCC[NH+](C)C ZINC000876888622 739956828 /nfs/dbraw/zinc/95/68/28/739956828.db2.gz GDVVQYKRQBSYAJ-NSHDSACASA-N 2 0 261.797 1.257 10 30 CDEERP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C13CCC3)C2 ZINC000925728636 740696395 /nfs/dbraw/zinc/69/63/95/740696395.db2.gz MIMFWWDTJVJPBP-OAGGEKHMSA-N 2 0 267.376 1.885 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000876922470 740931721 /nfs/dbraw/zinc/93/17/21/740931721.db2.gz AKWZHJWPERFNMX-STQMWFEESA-N 2 0 299.846 1.693 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000877141745 741178134 /nfs/dbraw/zinc/17/81/34/741178134.db2.gz KKYOETUWONQTNO-AWEZNQCLSA-N 2 0 293.798 1.418 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000876712681 742071501 /nfs/dbraw/zinc/07/15/01/742071501.db2.gz SHMOAUKIGNNHBJ-ZDUSSCGKSA-N 2 0 287.835 1.695 10 30 CDEERP C#CC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000829775233 742072985 /nfs/dbraw/zinc/07/29/85/742072985.db2.gz ZQBAOSFMBROWCY-HUUCEWRRSA-N 2 0 250.386 1.178 10 30 CDEERP CNC(NC[C@H]1CC[N@@H+]1C1CCCCCC1)=[NH+]C ZINC000864358007 739836951 /nfs/dbraw/zinc/83/69/51/739836951.db2.gz DEBFZKXFZQWEKM-CYBMUJFWSA-N 2 0 252.406 1.578 10 30 CDEERP CC1CC[NH+](CCNC(=[NH2+])NCCc2cccs2)CC1 ZINC000303881065 739899792 /nfs/dbraw/zinc/89/97/92/739899792.db2.gz HITPALUQEAGWFU-UHFFFAOYSA-N 2 0 294.468 1.927 10 30 CDEERP C=CCOCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779991785 740321395 /nfs/dbraw/zinc/32/13/95/740321395.db2.gz GHLRKMJMIICEKI-UHFFFAOYSA-N 2 0 289.423 1.731 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000876939902 741029338 /nfs/dbraw/zinc/02/93/38/741029338.db2.gz OAZVGSQXGJRRON-GHMZBOCLSA-N 2 0 271.792 1.247 10 30 CDEERP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000836215696 741079072 /nfs/dbraw/zinc/07/90/72/741079072.db2.gz DOYGHXRACMMQAD-HNNXBMFYSA-N 2 0 294.443 1.115 10 30 CDEERP C#Cc1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000877669842 741668853 /nfs/dbraw/zinc/66/88/53/741668853.db2.gz BKUTXYPFKBKALE-RTBURBONSA-N 2 0 299.462 1.839 10 30 CDEERP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000303864746 741769058 /nfs/dbraw/zinc/76/90/58/741769058.db2.gz BEFQVWVSHFAMIR-ZDUSSCGKSA-N 2 0 266.433 1.955 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1CC ZINC001569342117 1167558548 /nfs/dbraw/zinc/55/85/48/1167558548.db2.gz FRFXKKDQPRRCFG-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]C[C@@](C)(NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001568025764 1168084096 /nfs/dbraw/zinc/08/40/96/1168084096.db2.gz DKXOWFGCMIPCRV-MRXNPFEDSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001566827378 1168434870 /nfs/dbraw/zinc/43/48/70/1168434870.db2.gz QRCMSZZLTMMLFG-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001566940065 1168475908 /nfs/dbraw/zinc/47/59/08/1168475908.db2.gz WXDMHXVIPOPKJR-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001483656424 912339764 /nfs/dbraw/zinc/33/97/64/912339764.db2.gz YKMKICAPNOKQGR-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001266948474 896412391 /nfs/dbraw/zinc/41/23/91/896412391.db2.gz JBEOVKXQUHMTEU-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266970364 896470172 /nfs/dbraw/zinc/47/01/72/896470172.db2.gz CPIHZCBAEUGNLN-CJNGLKHVSA-N 2 0 299.434 1.869 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001267201066 897131033 /nfs/dbraw/zinc/13/10/33/897131033.db2.gz JSEMTMHFJTZUMB-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001267273196 897433924 /nfs/dbraw/zinc/43/39/24/897433924.db2.gz CEFPHSNKFQTOMC-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001567588715 1168876767 /nfs/dbraw/zinc/87/67/67/1168876767.db2.gz SHOTUZLCQOYYGR-INIZCTEOSA-N 2 0 287.407 1.361 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001481333794 900437042 /nfs/dbraw/zinc/43/70/42/900437042.db2.gz GKIRHRYODHLEEB-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268084256 901149026 /nfs/dbraw/zinc/14/90/26/901149026.db2.gz MXBUNSSKUWBLPD-QWHCGFSZSA-N 2 0 255.406 1.195 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001268288060 901754423 /nfs/dbraw/zinc/75/44/23/901754423.db2.gz IRHKQYPGDSCNSC-GJZGRUSLSA-N 2 0 291.439 1.533 10 30 CDEERP C=CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001481696687 901824821 /nfs/dbraw/zinc/82/48/21/901824821.db2.gz JAGIUIVXFRLCPU-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268595111 902728466 /nfs/dbraw/zinc/72/84/66/902728466.db2.gz HAVSBSYNWUJWHJ-KXPUMZMLSA-N 2 0 291.439 1.536 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269293706 903668372 /nfs/dbraw/zinc/66/83/72/903668372.db2.gz ZVBLZKMCCAQDKA-HUUCEWRRSA-N 2 0 279.428 1.129 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001269567037 903936263 /nfs/dbraw/zinc/93/62/63/903936263.db2.gz KUZRXKDSDMWFSN-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001482339784 905108174 /nfs/dbraw/zinc/10/81/74/905108174.db2.gz VIVCIOPCKRGTGN-HZPDHXFCSA-N 2 0 293.455 1.709 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](CC)[NH+](C)C ZINC001482393898 905290904 /nfs/dbraw/zinc/29/09/04/905290904.db2.gz SKPFSEYALDISRT-GJZGRUSLSA-N 2 0 281.444 1.470 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001271216883 906186024 /nfs/dbraw/zinc/18/60/24/906186024.db2.gz QTQPJDZDQKZVKK-CQSZACIVSA-N 2 0 289.423 1.984 10 30 CDEERP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001482666529 908161701 /nfs/dbraw/zinc/16/17/01/908161701.db2.gz PRZHZUWBZIANGT-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001482928295 908498419 /nfs/dbraw/zinc/49/84/19/908498419.db2.gz QVTIQBVZHOBIHZ-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483408206 911076374 /nfs/dbraw/zinc/07/63/74/911076374.db2.gz FLGBUOJBGZLGLK-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001493544221 911221285 /nfs/dbraw/zinc/22/12/85/911221285.db2.gz FYQZUYINMWSVLJ-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484546953 915873762 /nfs/dbraw/zinc/87/37/62/915873762.db2.gz LOTNDQXJFHGWSL-HNNXBMFYSA-N 2 0 291.439 1.487 10 30 CDEERP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484549587 915876783 /nfs/dbraw/zinc/87/67/83/915876783.db2.gz KWMGFBKYIDJKKV-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001568191897 1169170721 /nfs/dbraw/zinc/17/07/21/1169170721.db2.gz NIDCQGYDOZFIGF-CVEARBPZSA-N 2 0 293.455 1.474 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001485092976 916504713 /nfs/dbraw/zinc/50/47/13/916504713.db2.gz ZQJDMTJKGQCZJT-PRLABOORSA-N 2 0 293.455 1.777 10 30 CDEERP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001485370427 916901010 /nfs/dbraw/zinc/90/10/10/916901010.db2.gz HHUQPCUUGICKSK-AWEZNQCLSA-N 2 0 297.443 1.110 10 30 CDEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)CC[NH+](C)C)C(C)C ZINC001485437007 916967331 /nfs/dbraw/zinc/96/73/31/916967331.db2.gz LBTRWXHLISBAHB-HNNXBMFYSA-N 2 0 281.444 1.424 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001486121486 920731108 /nfs/dbraw/zinc/73/11/08/920731108.db2.gz LNYRMUNDHBMYPL-OLZOCXBDSA-N 2 0 265.401 1.093 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](NC(=O)CCCn2ccnc2)[C@@H]1C ZINC001486185885 920791083 /nfs/dbraw/zinc/79/10/83/920791083.db2.gz DVHUQMBHRVPQBX-LSDHHAIUSA-N 2 0 288.395 1.266 10 30 CDEERP C=CCC[NH+]1CC=C(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001486516078 921090895 /nfs/dbraw/zinc/09/08/95/921090895.db2.gz YOYDNXWSMHFQES-OAHLLOKOSA-N 2 0 291.439 1.653 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001273183459 923891822 /nfs/dbraw/zinc/89/18/22/923891822.db2.gz LCHAGVHHBGXEDG-CYBMUJFWSA-N 2 0 253.390 1.143 10 30 CDEERP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001491224379 936879691 /nfs/dbraw/zinc/87/96/91/936879691.db2.gz HXJQKHZIUQCXDY-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001568505988 1169340284 /nfs/dbraw/zinc/34/02/84/1169340284.db2.gz HSKBXRAGXVLTII-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001493108350 930434977 /nfs/dbraw/zinc/43/49/77/930434977.db2.gz PZQRQZDPCIUDGW-CABCVRRESA-N 2 0 297.418 1.270 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001275681422 931955531 /nfs/dbraw/zinc/95/55/31/931955531.db2.gz RUEHFKOATOULNE-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001276262024 932696927 /nfs/dbraw/zinc/69/69/27/932696927.db2.gz SJVTUXNPVCIOBU-CVEARBPZSA-N 2 0 293.455 1.759 10 30 CDEERP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001276327239 935012454 /nfs/dbraw/zinc/01/24/54/935012454.db2.gz SMODKZRQQVRUGE-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001276602013 940408697 /nfs/dbraw/zinc/40/86/97/940408697.db2.gz VNBNKNDAYXIXIB-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001276604495 940413593 /nfs/dbraw/zinc/41/35/93/940413593.db2.gz WRPYKYUIEJXOTE-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001276656368 940615574 /nfs/dbraw/zinc/61/55/74/940615574.db2.gz NUMDVVTURKTKQO-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001280143552 942420213 /nfs/dbraw/zinc/42/02/13/942420213.db2.gz WORQHZJYJNHQHA-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001281411054 942573144 /nfs/dbraw/zinc/57/31/44/942573144.db2.gz ZCIGXWIHMNXBTO-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001281721888 942612804 /nfs/dbraw/zinc/61/28/04/942612804.db2.gz ILUYKFXGEOBYFQ-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001282067290 942653155 /nfs/dbraw/zinc/65/31/55/942653155.db2.gz VZUYVOXTTKMXJW-NFOMZHRRSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001282390793 942704200 /nfs/dbraw/zinc/70/42/00/942704200.db2.gz IQGLLGNXKDTISW-GJZGRUSLSA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001282717815 942744135 /nfs/dbraw/zinc/74/41/35/942744135.db2.gz UWVKMSOXWJPTDC-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001282717787 942744763 /nfs/dbraw/zinc/74/47/63/942744763.db2.gz USSSXSKJRICPKG-HIFRSBDPSA-N 2 0 281.444 1.585 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001283618545 942950328 /nfs/dbraw/zinc/95/03/28/942950328.db2.gz VMTVRGPZWYERKX-KGLIPLIRSA-N 2 0 267.417 1.032 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001283912444 943025104 /nfs/dbraw/zinc/02/51/04/943025104.db2.gz BYEABMMQLPCAQO-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001284015382 943051562 /nfs/dbraw/zinc/05/15/62/943051562.db2.gz RRYPWSGGDTUZFI-GOEBONIOSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001284247398 943128817 /nfs/dbraw/zinc/12/88/17/943128817.db2.gz YZVOGPLVIYFADE-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001264363497 944112571 /nfs/dbraw/zinc/11/25/71/944112571.db2.gz JSRCKGCUAOBLJZ-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001264380343 944119295 /nfs/dbraw/zinc/11/92/95/944119295.db2.gz HTOOYHCKBKWSCY-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001264708176 944166432 /nfs/dbraw/zinc/16/64/32/944166432.db2.gz IYXGPURBZYTPKR-QLFBSQMISA-N 2 0 297.443 1.108 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001265572248 944433556 /nfs/dbraw/zinc/43/35/56/944433556.db2.gz BWPXJNARQYVROJ-QLFBSQMISA-N 2 0 277.412 1.121 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265622247 944450646 /nfs/dbraw/zinc/45/06/46/944450646.db2.gz YQFYPECVRUKCSL-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001265654387 944458515 /nfs/dbraw/zinc/45/85/15/944458515.db2.gz TUMFEILDWAACCK-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001265688053 944470009 /nfs/dbraw/zinc/47/00/09/944470009.db2.gz LPEDNQLQTPQXBA-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001265775888 944503869 /nfs/dbraw/zinc/50/38/69/944503869.db2.gz ZVBVXCAGSWTUNW-GJZGRUSLSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265928419 944579491 /nfs/dbraw/zinc/57/94/91/944579491.db2.gz AYBVEXHAJMRNBY-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266050663 944655390 /nfs/dbraw/zinc/65/53/90/944655390.db2.gz CUFKBFDQPYXEIX-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001266195807 944745205 /nfs/dbraw/zinc/74/52/05/944745205.db2.gz ZVRLOJCWTBBTQC-CQSZACIVSA-N 2 0 267.417 1.435 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001279288063 944791149 /nfs/dbraw/zinc/79/11/49/944791149.db2.gz JCFYGQGJRRXWIY-UYSNPLJNSA-N 2 0 293.455 1.709 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001278295159 945432704 /nfs/dbraw/zinc/43/27/04/945432704.db2.gz YRAMTFREFSLUAA-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001479488995 971332038 /nfs/dbraw/zinc/33/20/38/971332038.db2.gz IDKJXYCUZVTHTK-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001279017702 948603931 /nfs/dbraw/zinc/60/39/31/948603931.db2.gz MYANOEDIAKDVDR-CABCVRRESA-N 2 0 288.395 1.123 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480061735 971558515 /nfs/dbraw/zinc/55/85/15/971558515.db2.gz LWTAFROJKNDPJG-GJZGRUSLSA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001325898351 954129268 /nfs/dbraw/zinc/12/92/68/954129268.db2.gz LNULZRGIFUMVEJ-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001326929966 954625134 /nfs/dbraw/zinc/62/51/34/954625134.db2.gz YJHQHFLAMJYHFC-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001491815958 955447697 /nfs/dbraw/zinc/44/76/97/955447697.db2.gz IYWJFDUWELBRON-CQSZACIVSA-N 2 0 277.412 1.239 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491810761 955477434 /nfs/dbraw/zinc/47/74/34/955477434.db2.gz OQISWPNSYWWADJ-CABCVRRESA-N 2 0 281.444 1.587 10 30 CDEERP C=CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001328875404 955528347 /nfs/dbraw/zinc/52/83/47/955528347.db2.gz FRGQROAVMLWQDZ-GPANFISMSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001329485774 955942593 /nfs/dbraw/zinc/94/25/93/955942593.db2.gz DNARFMAADNCWCW-LBPRGKRZSA-N 2 0 284.363 1.326 10 30 CDEERP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001493997695 972157313 /nfs/dbraw/zinc/15/73/13/972157313.db2.gz OLDFUOHUUDRWKT-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001329938614 956189865 /nfs/dbraw/zinc/18/98/65/956189865.db2.gz RHCQKSNCJMWVJC-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001494043645 972166578 /nfs/dbraw/zinc/16/65/78/972166578.db2.gz UBUZZMYFHUACQH-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001494119293 972178027 /nfs/dbraw/zinc/17/80/27/972178027.db2.gz JEQHJJWQHBFXGQ-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C#CCC[NH2+][C@H](CCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001331226314 956897925 /nfs/dbraw/zinc/89/79/25/956897925.db2.gz UIGRIGXLPMGCFY-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001331311181 956961562 /nfs/dbraw/zinc/96/15/62/956961562.db2.gz YYGIFVLPIKJRFC-OAHLLOKOSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001331323679 956968945 /nfs/dbraw/zinc/96/89/45/956968945.db2.gz GHJFTXLMHKUVFY-LSDHHAIUSA-N 2 0 281.444 1.585 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001316786520 957016622 /nfs/dbraw/zinc/01/66/22/957016622.db2.gz IQZOZUAFULYCEN-PMPSAXMXSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317067059 957241319 /nfs/dbraw/zinc/24/13/19/957241319.db2.gz KYYLQMSPLKBIMQ-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317128026 957289910 /nfs/dbraw/zinc/28/99/10/957289910.db2.gz LSKAXKDEESSONC-CALCHBBNSA-N 2 0 299.418 1.622 10 30 CDEERP C#CCC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317202073 957339730 /nfs/dbraw/zinc/33/97/30/957339730.db2.gz DUVWTUZVXQGEEM-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001332043717 957413174 /nfs/dbraw/zinc/41/31/74/957413174.db2.gz ASEANILTGVJPPH-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001317527560 957531380 /nfs/dbraw/zinc/53/13/80/957531380.db2.gz MZCHBRVFZZLJIZ-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@H+]1CC[C@H](CCNC(=O)CCc2cncn2C)C1 ZINC001317810181 957670815 /nfs/dbraw/zinc/67/08/15/957670815.db2.gz YSMIUYFWXXHKRU-AWEZNQCLSA-N 2 0 290.411 1.367 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001494710345 972294748 /nfs/dbraw/zinc/29/47/48/972294748.db2.gz ZWWZJYXTNUEWCW-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001319384788 958527544 /nfs/dbraw/zinc/52/75/44/958527544.db2.gz DGNXIJSMPJKAOB-UHFFFAOYSA-N 2 0 277.412 1.287 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC001319589777 958643137 /nfs/dbraw/zinc/64/31/37/958643137.db2.gz MXNNZFLCMFZPKF-HNNXBMFYSA-N 2 0 293.455 1.424 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001320890798 959441922 /nfs/dbraw/zinc/44/19/22/959441922.db2.gz ACRSHCOFUPVUNG-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)[C@H](F)C[NH+](CC)CC)CCCC1 ZINC001495161467 972431163 /nfs/dbraw/zinc/43/11/63/972431163.db2.gz HQXCWNXOPVSKDY-CQSZACIVSA-N 2 0 297.418 1.318 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001322281770 960165998 /nfs/dbraw/zinc/16/59/98/960165998.db2.gz RECVSEQCXHRUOI-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)CCC[NH+]1CCCC1)C1CC1 ZINC001323111581 960459038 /nfs/dbraw/zinc/45/90/38/960459038.db2.gz BZYYFBFTLVLSEW-MRXNPFEDSA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001324225861 961245293 /nfs/dbraw/zinc/24/52/93/961245293.db2.gz NKMZISGLBYOBIP-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001419816944 962128433 /nfs/dbraw/zinc/12/84/33/962128433.db2.gz QBMQBFVZEWQLPG-NEPJUHHUSA-N 2 0 273.808 1.318 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001420957042 963384951 /nfs/dbraw/zinc/38/49/51/963384951.db2.gz ZBOVXFDYGYZNIF-ZDUSSCGKSA-N 2 0 299.846 1.852 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001556466552 965044615 /nfs/dbraw/zinc/04/46/15/965044615.db2.gz DBGVEOAANYYFBD-UHFFFAOYSA-N 2 0 267.417 1.295 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CCC[NH+]1C ZINC001448874775 967290630 /nfs/dbraw/zinc/29/06/30/967290630.db2.gz UCNJGPXLLHMNGW-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001455947791 968835456 /nfs/dbraw/zinc/83/54/56/968835456.db2.gz TYHCOMFAMKNAAH-OAHLLOKOSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001467728582 970096982 /nfs/dbraw/zinc/09/69/82/970096982.db2.gz MGIAHNXOIWMYFJ-LSDHHAIUSA-N 2 0 281.444 1.683 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001496452967 972927624 /nfs/dbraw/zinc/92/76/24/972927624.db2.gz WSNXXCGYFGQPPZ-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497619740 973435312 /nfs/dbraw/zinc/43/53/12/973435312.db2.gz GOPCMCPMJCILDP-IYKSTZQJSA-N 2 0 277.412 1.002 10 30 CDEERP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001569725908 1169976610 /nfs/dbraw/zinc/97/66/10/1169976610.db2.gz JJMBPNQGDIIWJB-NVXWUHKLSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001506001424 975078170 /nfs/dbraw/zinc/07/81/70/975078170.db2.gz AFBXRADNTWWQSR-CQSZACIVSA-N 2 0 281.444 1.424 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001506853233 975234792 /nfs/dbraw/zinc/23/47/92/975234792.db2.gz TUWJDXWJCDSEPF-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001506894417 975249323 /nfs/dbraw/zinc/24/93/23/975249323.db2.gz OYAUTCOZDDNLHW-KKUMJFAQSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001506906985 975254883 /nfs/dbraw/zinc/25/48/83/975254883.db2.gz NPAHNWXSBGESGP-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001507070486 975325101 /nfs/dbraw/zinc/32/51/01/975325101.db2.gz FWUZXQBOMRLVLZ-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001507449699 975474231 /nfs/dbraw/zinc/47/42/31/975474231.db2.gz JOWGNKAXMKRVQO-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405343769 975717518 /nfs/dbraw/zinc/71/75/18/975717518.db2.gz MGCLGEQEFTUZJR-NEPJUHHUSA-N 2 0 273.808 1.175 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001677032900 1174308733 /nfs/dbraw/zinc/30/87/33/1174308733.db2.gz NXVFMIHJVYPEBC-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001570398214 1170152000 /nfs/dbraw/zinc/15/20/00/1170152000.db2.gz YANOJUGCTFRBBL-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001571023430 1170330854 /nfs/dbraw/zinc/33/08/54/1170330854.db2.gz QKCHDNVCZCAOBP-HRCADAONSA-N 2 0 291.439 1.177 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001571632974 1170503444 /nfs/dbraw/zinc/50/34/44/1170503444.db2.gz GABIQYJLZWBJHZ-LSDHHAIUSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001571658154 1170512650 /nfs/dbraw/zinc/51/26/50/1170512650.db2.gz LSMPRGZJFBRJMT-NRXISQOPSA-N 2 0 297.418 1.269 10 30 CDEERP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001656452176 1171826101 /nfs/dbraw/zinc/82/61/01/1171826101.db2.gz DMGWKAQVQVNNEG-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000594438979 342906675 /nfs/dbraw/zinc/90/66/75/342906675.db2.gz RVTXFYVLURRVBS-CYBMUJFWSA-N 2 0 298.350 1.039 10 30 CDEERP CN(C(=O)[C@@H]([NH3+])CCCCC#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000594439040 342906729 /nfs/dbraw/zinc/90/67/29/342906729.db2.gz NDIRIBPQOGHIOS-PIGZVRMJSA-N 2 0 278.400 1.139 10 30 CDEERP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)c1 ZINC000600717740 342244477 /nfs/dbraw/zinc/24/44/77/342244477.db2.gz MXOXSYAACSMTOO-MRXNPFEDSA-N 2 0 287.407 1.893 10 30 CDEERP CC(C)(C[NH2+]C[C@H](O)CC1(C#N)CC1)C[NH+]1CCCC1 ZINC000600735808 342246309 /nfs/dbraw/zinc/24/63/09/342246309.db2.gz VTCBOFWKMVVIRX-CQSZACIVSA-N 2 0 279.428 1.753 10 30 CDEERP CCC(C#N)(CC)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000600090778 344175433 /nfs/dbraw/zinc/17/54/33/344175433.db2.gz WYGHQCNEJUCOHR-AWEZNQCLSA-N 2 0 296.459 1.705 10 30 CDEERP CC1(C#N)CCC([NH2+]C[C@@H]2CCCCN2CCO)CC1 ZINC000449396725 362691397 /nfs/dbraw/zinc/69/13/97/362691397.db2.gz MMEZAHODEOLPMW-PCKAHOCUSA-N 2 0 279.428 1.895 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001661202321 1172353452 /nfs/dbraw/zinc/35/34/52/1172353452.db2.gz OUAFHLMCZSHOGX-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001661467330 1172393334 /nfs/dbraw/zinc/39/33/34/1172393334.db2.gz CBRZOMJJNQWVCK-JOCQHMNTSA-N 2 0 253.390 1.141 10 30 CDEERP C[C@@H]1COCC[C@@H]1[NH2+]CC#CC[NH2+][C@H]1CCOC[C@H]1C ZINC000342139724 373993602 /nfs/dbraw/zinc/99/36/02/373993602.db2.gz XGNQRZTVELWNTR-WCVJEAGWSA-N 2 0 280.412 1.019 10 30 CDEERP C[C@@H]([NH3+])[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423461703 374383702 /nfs/dbraw/zinc/38/37/02/374383702.db2.gz KDTMOLUDASXQHI-CHWSQXEVSA-N 2 0 272.396 1.852 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647799582 391661619 /nfs/dbraw/zinc/66/16/19/391661619.db2.gz LERVVMWPKUZCRR-KHMAMNHCSA-N 2 0 250.386 1.555 10 30 CDEERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000069349805 287086591 /nfs/dbraw/zinc/08/65/91/287086591.db2.gz JDZWRNIBANUUJN-CQSZACIVSA-N 2 0 287.407 1.741 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001665676008 1173036828 /nfs/dbraw/zinc/03/68/28/1173036828.db2.gz HIGUBFJHPJXJKY-CABCVRRESA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[C@@]1(C(=O)N(CC)CCC[NH+](C)C)CCC[NH2+]1 ZINC000662795457 413515799 /nfs/dbraw/zinc/51/57/99/413515799.db2.gz PCYBPXKOUVOONH-HNNXBMFYSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCOCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665263677 413991406 /nfs/dbraw/zinc/99/14/06/413991406.db2.gz RRGMTSMEXSYQPJ-QLFBSQMISA-N 2 0 268.401 1.326 10 30 CDEERP C=C(C)COCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657399210 414286429 /nfs/dbraw/zinc/28/64/29/414286429.db2.gz QMCOTWWPVNXMIS-UHFFFAOYSA-N 2 0 272.352 1.950 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001665799877 1173063498 /nfs/dbraw/zinc/06/34/98/1173063498.db2.gz YIPHYNOQWAUGHG-GFCCVEGCSA-N 2 0 253.390 1.141 10 30 CDEERP C[N@H+](Cc1cc(C#CC[NH3+])cs1)[C@H]1CCSC1 ZINC000043688898 175095664 /nfs/dbraw/zinc/09/56/64/175095664.db2.gz PVGQPLPDRWOZOO-LBPRGKRZSA-N 2 0 266.435 1.996 10 30 CDEERP N#Cc1c(C[NH+]2CCC(C[NH3+])CC2)cn2ccccc12 ZINC000044513522 175188986 /nfs/dbraw/zinc/18/89/86/175188986.db2.gz UGNHZXGALLIOCK-UHFFFAOYSA-N 2 0 268.364 1.982 10 30 CDEERP CC#CC[NH+]1CCC(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001666389865 1173131259 /nfs/dbraw/zinc/13/12/59/1173131259.db2.gz SCKZOICDWIHLPU-UHFFFAOYSA-N 2 0 291.439 1.324 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001667198274 1173244666 /nfs/dbraw/zinc/24/46/66/1173244666.db2.gz OSGFNOWLXJPJJJ-GJZGRUSLSA-N 2 0 295.471 1.977 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001670291798 1173669549 /nfs/dbraw/zinc/66/95/49/1173669549.db2.gz YATIPZNETFZIDG-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001672329337 1173766196 /nfs/dbraw/zinc/76/61/96/1173766196.db2.gz XAWQUBRMPZWGQB-CABCVRRESA-N 2 0 291.439 1.342 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001672901961 1173808115 /nfs/dbraw/zinc/80/81/15/1173808115.db2.gz OCVMQTFHBGCYDS-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267129447 1159131131 /nfs/dbraw/zinc/13/11/31/1159131131.db2.gz PMQYSVHLHSXMBM-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[NH+](CC)CC)CC1 ZINC000171711283 329078649 /nfs/dbraw/zinc/07/86/49/329078649.db2.gz OSMSLGLNZGVIJR-AWEZNQCLSA-N 2 0 296.459 1.666 10 30 CDEERP CC(C)[NH+](CCNC(=[NH2+])N1CCO[C@@H](C)C1)C(C)C ZINC000262468637 330015282 /nfs/dbraw/zinc/01/52/82/330015282.db2.gz OGQDHDZCZBLCHW-ZDUSSCGKSA-N 2 0 270.421 1.141 10 30 CDEERP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262472917 330015873 /nfs/dbraw/zinc/01/58/73/330015873.db2.gz PHVQVHHDEOOEOK-HUUCEWRRSA-N 2 0 296.459 1.390 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267280527 1159232755 /nfs/dbraw/zinc/23/27/55/1159232755.db2.gz UEDNBIGPAGKMCG-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001270737328 1160143292 /nfs/dbraw/zinc/14/32/92/1160143292.db2.gz KKFPAEGDZBUJHF-NVXWUHKLSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001270984305 1160234463 /nfs/dbraw/zinc/23/44/63/1160234463.db2.gz ZRHMRDYUBNNSGB-GDBMZVCRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1CC1 ZINC000665760209 482444814 /nfs/dbraw/zinc/44/48/14/482444814.db2.gz CEHMLZVMWGRHML-AWEZNQCLSA-N 2 0 296.459 1.618 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001483400694 1160914923 /nfs/dbraw/zinc/91/49/23/1160914923.db2.gz MYQONHHIUYYTET-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP CCN[C@](C)(C#N)C[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068616260 520225564 /nfs/dbraw/zinc/22/55/64/520225564.db2.gz HWKAEDOMWUHVBC-HOCLYGCPSA-N 2 0 280.460 1.930 10 30 CDEERP CC#CC[NH+](C)CCN(C(=O)C[N@@H+](C)CCC)C(C)C ZINC001486380130 1161454192 /nfs/dbraw/zinc/45/41/92/1161454192.db2.gz ZAFQQGRVXMTNSC-UHFFFAOYSA-N 2 0 281.444 1.520 10 30 CDEERP COc1ccc(C[N@@H+]2CCCSCC2)cc1C#CC[NH3+] ZINC000049609940 524027674 /nfs/dbraw/zinc/02/76/74/524027674.db2.gz RQVCHQCHJNKDSM-UHFFFAOYSA-N 2 0 290.432 1.944 10 30 CDEERP C[NH+](C)C1CCN(Cc2ccccc2C#CC[NH3+])CC1 ZINC000049609195 524040508 /nfs/dbraw/zinc/04/05/08/524040508.db2.gz IDAPVLWAXXXAOY-UHFFFAOYSA-N 2 0 271.408 1.523 10 30 CDEERP C[C@H](CC[NH+](C)C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000049561922 524162875 /nfs/dbraw/zinc/16/28/75/524162875.db2.gz BRKLKGHPTKSNRS-CYBMUJFWSA-N 2 0 273.380 1.067 10 30 CDEERP C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000049189210 524591029 /nfs/dbraw/zinc/59/10/29/524591029.db2.gz PRTSNXCTZWHZER-AWEZNQCLSA-N 2 0 285.391 1.211 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001689808202 1175264952 /nfs/dbraw/zinc/26/49/52/1175264952.db2.gz YZMCIWLXPBMKNY-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000900344070 622917505 /nfs/dbraw/zinc/91/75/05/622917505.db2.gz HJXVSCZNPNLGQJ-HIFRSBDPSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)CC1(C)C ZINC000901275384 624061502 /nfs/dbraw/zinc/06/15/02/624061502.db2.gz GOCOISSARVDQKN-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP C=CCOc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000904397534 626287211 /nfs/dbraw/zinc/28/72/11/626287211.db2.gz DYNQLVIKJURSQK-UHFFFAOYSA-N 2 0 275.396 1.246 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000908284900 628112538 /nfs/dbraw/zinc/11/25/38/628112538.db2.gz BVMUEFAQMBRQSG-UHFFFAOYSA-N 2 0 299.484 1.438 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)Cn1cncc1C ZINC001690963544 1158503290 /nfs/dbraw/zinc/50/32/90/1158503290.db2.gz ZTTKEDZWRUUWGJ-CYBMUJFWSA-N 2 0 278.400 1.594 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001691087323 1158901948 /nfs/dbraw/zinc/90/19/48/1158901948.db2.gz MWNAUJMLXNZJGA-WCVJEAGWSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001691268168 1158986270 /nfs/dbraw/zinc/98/62/70/1158986270.db2.gz DEVUBORYMVAVLF-HRCADAONSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001483016375 1160666135 /nfs/dbraw/zinc/66/61/35/1160666135.db2.gz COOXAOKSHLWNRV-KJPDOMRESA-N 2 0 289.423 1.289 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001567141063 1168593125 /nfs/dbraw/zinc/59/31/25/1168593125.db2.gz UQZPOWHJFXWLLB-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001671246713 1169433993 /nfs/dbraw/zinc/43/39/93/1169433993.db2.gz WLMAOMBKYGVUIZ-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001568969956 1169568178 /nfs/dbraw/zinc/56/81/78/1169568178.db2.gz RIZSJEZBMHECNW-GJBLVYBDSA-N 2 0 299.846 1.875 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001569329511 1169767338 /nfs/dbraw/zinc/76/73/38/1169767338.db2.gz OXSOWKKVMMKCIR-HOTGVXAUSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001569405398 1169859506 /nfs/dbraw/zinc/85/95/06/1169859506.db2.gz PXCWSOSAAYFKHJ-UHFFFAOYSA-N 2 0 277.412 1.287 10 30 CDEERP C#C[C@H]([NH2+]CC1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC001657842071 1171990636 /nfs/dbraw/zinc/99/06/36/1171990636.db2.gz USLKEMDIOPVVFA-LSDHHAIUSA-N 2 0 250.386 1.489 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001661610470 1172415907 /nfs/dbraw/zinc/41/59/07/1172415907.db2.gz SKRYIJCAAWLGNG-OKILXGFUSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001662631286 1172572658 /nfs/dbraw/zinc/57/26/58/1172572658.db2.gz WLWMGQMPJMLUBT-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001669399603 1173547105 /nfs/dbraw/zinc/54/71/05/1173547105.db2.gz FZXLEBJSGYSPLZ-IUODEOHRSA-N 2 0 285.407 1.479 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCC1 ZINC001671555149 1173688896 /nfs/dbraw/zinc/68/88/96/1173688896.db2.gz WQYJRLBAPPTRBV-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CC)C2)CC1 ZINC001672915584 1173808216 /nfs/dbraw/zinc/80/82/16/1173808216.db2.gz JAPAEEXRZWTSCK-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001598013838 1174301806 /nfs/dbraw/zinc/30/18/06/1174301806.db2.gz JKZYFRURJMAGPK-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001690468429 1175477011 /nfs/dbraw/zinc/47/70/11/1175477011.db2.gz BWSXAKNSJOQNSB-HOTGVXAUSA-N 2 0 291.439 1.485 10 30 CDEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001690824545 1175581001 /nfs/dbraw/zinc/58/10/01/1175581001.db2.gz GTXQOABHFIEVBP-AWEZNQCLSA-N 2 0 290.411 1.760 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001698860760 1175967146 /nfs/dbraw/zinc/96/71/46/1175967146.db2.gz KSDMJUKIZVEAMM-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698947520 1175992547 /nfs/dbraw/zinc/99/25/47/1175992547.db2.gz AQYQBQWCTWSNLA-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@H+](C)CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001698955876 1175994466 /nfs/dbraw/zinc/99/44/66/1175994466.db2.gz COMZZXYPLUTFQB-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001699034357 1176052628 /nfs/dbraw/zinc/05/26/28/1176052628.db2.gz MHXDNKGCAIPUHJ-KBPBESRZSA-N 2 0 277.412 1.143 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699134034 1176108269 /nfs/dbraw/zinc/10/82/69/1176108269.db2.gz HGXYSGCPSHGASS-XJKSGUPXSA-N 2 0 299.434 1.869 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001699141791 1176110199 /nfs/dbraw/zinc/11/01/99/1176110199.db2.gz KZFQRGDCCFTZFP-QWHCGFSZSA-N 2 0 278.400 1.649 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699313261 1176215601 /nfs/dbraw/zinc/21/56/01/1176215601.db2.gz BACDJMRLTZLKRG-HFZJXRFXSA-N 2 0 291.439 1.841 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001699827639 1176645154 /nfs/dbraw/zinc/64/51/54/1176645154.db2.gz QVCXKXIAFYWPEL-GOEBONIOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001699869937 1176662157 /nfs/dbraw/zinc/66/21/57/1176662157.db2.gz WAZHOJLJANDBAP-WBVHZDCISA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001699879705 1176664997 /nfs/dbraw/zinc/66/49/97/1176664997.db2.gz WIVJXEKPKGUPHY-QGZVFWFLSA-N 2 0 291.439 1.324 10 30 CDEERP C#CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001699972759 1176702917 /nfs/dbraw/zinc/70/29/17/1176702917.db2.gz WTWWPYWSAJTORC-GOEBONIOSA-N 2 0 291.439 1.036 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001700358731 1176871557 /nfs/dbraw/zinc/87/15/57/1176871557.db2.gz YZFWHIYNJCRKRL-HUUCEWRRSA-N 2 0 279.428 1.580 10 30 CDEERP CC#CC[NH2+]C[C@H](CCCC)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001700520774 1176993759 /nfs/dbraw/zinc/99/37/59/1176993759.db2.gz PXGUPNHWYGXLDA-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001700644927 1177053214 /nfs/dbraw/zinc/05/32/14/1177053214.db2.gz ZLTLMDASPWRSMW-WKILWMFISA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001700899631 1177187133 /nfs/dbraw/zinc/18/71/33/1177187133.db2.gz COKOKEMEIAYZIW-HOCLYGCPSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001707481749 1178075357 /nfs/dbraw/zinc/07/53/57/1178075357.db2.gz WBSLLCDTDDWIHE-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001713411632 1178545935 /nfs/dbraw/zinc/54/59/35/1178545935.db2.gz MHFLLPCFHHBMIW-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713529522 1178629731 /nfs/dbraw/zinc/62/97/31/1178629731.db2.gz MGOMJXZYFKGUFI-BZUAXINKSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713730181 1178728107 /nfs/dbraw/zinc/72/81/07/1178728107.db2.gz KTIBETGVVCBCEG-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001713771269 1178746144 /nfs/dbraw/zinc/74/61/44/1178746144.db2.gz GWEQDQCJWCRGIU-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714013570 1178927267 /nfs/dbraw/zinc/92/72/67/1178927267.db2.gz NRNRHCJVJMRLSN-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001714022477 1178931986 /nfs/dbraw/zinc/93/19/86/1178931986.db2.gz TVAQTOLDYSBIIQ-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001714163794 1178998747 /nfs/dbraw/zinc/99/87/47/1178998747.db2.gz WNWSXOCHLSBEPJ-UXLLHSPISA-N 2 0 293.455 1.777 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001714277579 1179061253 /nfs/dbraw/zinc/06/12/53/1179061253.db2.gz BZVGAHFRCXIPRA-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001714313816 1179080931 /nfs/dbraw/zinc/08/09/31/1179080931.db2.gz UCZBEEJHDVTXFA-KKUMJFAQSA-N 2 0 279.428 1.367 10 30 CDEERP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001714455730 1179146440 /nfs/dbraw/zinc/14/64/40/1179146440.db2.gz ZIAGGBPTRIMARG-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001714583493 1179241279 /nfs/dbraw/zinc/24/12/79/1179241279.db2.gz ALIXJVXBFROJMS-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001714652815 1179298402 /nfs/dbraw/zinc/29/84/02/1179298402.db2.gz CUKUPEVTNHJOPV-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[N@@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001714822554 1179411298 /nfs/dbraw/zinc/41/12/98/1179411298.db2.gz RAMAXWYHDVSVBQ-MRXNPFEDSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001714918478 1179451451 /nfs/dbraw/zinc/45/14/51/1179451451.db2.gz PTSRKYRKHJFRNC-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC)CC(C)C)CC1 ZINC001714946632 1179470931 /nfs/dbraw/zinc/47/09/31/1179470931.db2.gz YYDINYSKEBGKTF-MRXNPFEDSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001714989867 1179494036 /nfs/dbraw/zinc/49/40/36/1179494036.db2.gz KOAKTMFUPUBBKV-KBPBESRZSA-N 2 0 277.412 1.189 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001715362262 1179643117 /nfs/dbraw/zinc/64/31/17/1179643117.db2.gz VCUZNBAXFWIKSB-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001715560166 1179716257 /nfs/dbraw/zinc/71/62/57/1179716257.db2.gz MBKBVINWTLLJJJ-CABCVRRESA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001715916325 1179911848 /nfs/dbraw/zinc/91/18/48/1179911848.db2.gz WHJPQMMUDLLXRK-ZPIQOJFGSA-N 2 0 277.412 1.146 10 30 CDEERP C=CCCC[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001716003479 1179977473 /nfs/dbraw/zinc/97/74/73/1179977473.db2.gz OXZMYPHZFZDXJA-UHFFFAOYSA-N 2 0 267.417 1.439 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001716030225 1180005574 /nfs/dbraw/zinc/00/55/74/1180005574.db2.gz NUDYMRPPEJUPGV-KGLIPLIRSA-N 2 0 267.417 1.482 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001716075660 1180032985 /nfs/dbraw/zinc/03/29/85/1180032985.db2.gz PHPWOEYBOWNGHO-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001716339719 1180160169 /nfs/dbraw/zinc/16/01/69/1180160169.db2.gz KWSMXFQFDHANNU-XHPSBEMXSA-N 2 0 293.455 1.945 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1CC ZINC001716638610 1180316789 /nfs/dbraw/zinc/31/67/89/1180316789.db2.gz CHEUKFWJZGMQRE-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001716784048 1180413968 /nfs/dbraw/zinc/41/39/68/1180413968.db2.gz HIFJDFCTHVDHDX-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001716879913 1180451901 /nfs/dbraw/zinc/45/19/01/1180451901.db2.gz BBOGYQJVDCOPGZ-RDJZCZTQSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001717803493 1180862932 /nfs/dbraw/zinc/86/29/32/1180862932.db2.gz YPTYTMYOJKFIDS-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CC=C(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001718028202 1180975034 /nfs/dbraw/zinc/97/50/34/1180975034.db2.gz JHQFJTNBOJFISJ-UHFFFAOYSA-N 2 0 291.439 1.346 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001723863564 1181613263 /nfs/dbraw/zinc/61/32/63/1181613263.db2.gz VLPNVJJDMKUKTP-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001724601842 1181701298 /nfs/dbraw/zinc/70/12/98/1181701298.db2.gz BUFAPZZMXGHHSI-KBPBESRZSA-N 2 0 267.417 1.197 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001725353563 1181969442 /nfs/dbraw/zinc/96/94/42/1181969442.db2.gz PIXHLNWSLBUGMC-BZUAXINKSA-N 2 0 293.455 1.920 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001725674344 1182094759 /nfs/dbraw/zinc/09/47/59/1182094759.db2.gz DBSFFPGFIYNFEJ-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731259518 1182279269 /nfs/dbraw/zinc/27/92/69/1182279269.db2.gz LKKWSOJAEQHABR-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001731694150 1182520483 /nfs/dbraw/zinc/52/04/83/1182520483.db2.gz IEOMXZKNNOGDST-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001731765827 1182558329 /nfs/dbraw/zinc/55/83/29/1182558329.db2.gz ZGJSWCYYLCAFFD-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP C#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001732279853 1182893918 /nfs/dbraw/zinc/89/39/18/1182893918.db2.gz JCNYDDOJGKKXOM-ZMSDIMECSA-N 2 0 291.439 1.224 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001732468165 1182980668 /nfs/dbraw/zinc/98/06/68/1182980668.db2.gz JJIZTPQSRLKSLW-RDJZCZTQSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001733065431 1183273454 /nfs/dbraw/zinc/27/34/54/1183273454.db2.gz IILIIWQBQLRGMR-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001733182855 1183321296 /nfs/dbraw/zinc/32/12/96/1183321296.db2.gz AWGKDVCOUFMXHR-ZBFHGGJFSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001733336655 1183400591 /nfs/dbraw/zinc/40/05/91/1183400591.db2.gz XOCOACBVQLIZBJ-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001733393284 1183416601 /nfs/dbraw/zinc/41/66/01/1183416601.db2.gz RHRXRWXDXLJNLS-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)CCC[NH+](C)C ZINC001734023305 1183616685 /nfs/dbraw/zinc/61/66/85/1183616685.db2.gz VNASDZAAMLRRHP-UHFFFAOYSA-N 2 0 281.444 1.426 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001734063635 1183644057 /nfs/dbraw/zinc/64/40/57/1183644057.db2.gz AEEODBBOGJZUEK-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001734260345 1183706732 /nfs/dbraw/zinc/70/67/32/1183706732.db2.gz KBOOGWCGIBMZMU-ZDUSSCGKSA-N 2 0 299.846 1.709 10 30 CDEERP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000852861177 743084688 /nfs/dbraw/zinc/08/46/88/743084688.db2.gz QBVNFXSZOZXCLG-HNNXBMFYSA-N 2 0 291.439 1.228 10 30 CDEERP C[NH2+]C[C@](C)(O)C[N@H+](C)CCc1cccc(C#N)c1 ZINC000866698070 743456935 /nfs/dbraw/zinc/45/69/35/743456935.db2.gz MKONSBBKSDEEAU-HNNXBMFYSA-N 2 0 261.369 1.003 10 30 CDEERP C=CC[C@]1(C(=O)NCCCCCC[NH3+])CCC[NH2+]1 ZINC000852895341 745031078 /nfs/dbraw/zinc/03/10/78/745031078.db2.gz XRJCKCLREIPHNF-CQSZACIVSA-N 2 0 253.390 1.320 10 30 CDEERP CCC[NH+]1CCC(CNC(=[NH2+])N(C)C2CC2)CC1 ZINC000305834688 745221080 /nfs/dbraw/zinc/22/10/80/745221080.db2.gz WERBUTXUXTUTQP-UHFFFAOYSA-N 2 0 252.406 1.517 10 30 CDEERP C[N@H+](CCc1cccc(C#N)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923417398 745231118 /nfs/dbraw/zinc/23/11/18/745231118.db2.gz UHCLRFPCFMCQEA-INIZCTEOSA-N 2 0 285.391 1.411 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000876846059 745277286 /nfs/dbraw/zinc/27/72/86/745277286.db2.gz MEHYJIGMCHKFBB-ZIAGYGMSSA-N 2 0 293.798 1.460 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000876876753 745329897 /nfs/dbraw/zinc/32/98/97/745329897.db2.gz ULYDDQOTHZWIJU-NWDGAFQWSA-N 2 0 273.808 1.399 10 30 CDEERP [NH2+]=C(NCC1(N2CCOCC2)CCCCC1)NC1CC1 ZINC000261761724 745544390 /nfs/dbraw/zinc/54/43/90/745544390.db2.gz LLWAPHFYIIQFBJ-UHFFFAOYSA-N 2 0 280.416 1.088 10 30 CDEERP C#C[C@H]1CCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000934516256 745828659 /nfs/dbraw/zinc/82/86/59/745828659.db2.gz FFXSZTDQNREDKE-KRWDZBQOSA-N 2 0 277.456 1.890 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000876728251 745869373 /nfs/dbraw/zinc/86/93/73/745869373.db2.gz ZAUMIELEDJPYBU-WOPDTQHZSA-N 2 0 271.792 1.199 10 30 CDEERP C#Cc1cnc(N[C@@H](C)CN(C)CCC[NH+](C)C)nc1 ZINC000853773543 746490977 /nfs/dbraw/zinc/49/09/77/746490977.db2.gz HPYLOWWQJFEGIF-ZDUSSCGKSA-N 2 0 275.400 1.142 10 30 CDEERP [NH3+]CCCN(CC1CCCC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852879629 746888566 /nfs/dbraw/zinc/88/85/66/746888566.db2.gz GDEDIXZIDJHWEL-UHFFFAOYSA-N 2 0 291.439 1.357 10 30 CDEERP C[NH+](C)[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)c1ccccc1 ZINC000852855455 747893297 /nfs/dbraw/zinc/89/32/97/747893297.db2.gz ZJBHTDWQISRCMU-KRWDZBQOSA-N 2 0 299.418 1.409 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCC[NH2+]1 ZINC000852893385 748767026 /nfs/dbraw/zinc/76/70/26/748767026.db2.gz UXDRISHVTOTRDG-LSDHHAIUSA-N 2 0 263.385 1.039 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000876533306 748934349 /nfs/dbraw/zinc/93/43/49/748934349.db2.gz HUVWLZMVCHZBPF-DCAQKATOSA-N 2 0 259.781 1.042 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001637883833 1166796114 /nfs/dbraw/zinc/79/61/14/1166796114.db2.gz GWQILCATEKUWQE-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001571408678 1167595033 /nfs/dbraw/zinc/59/50/33/1167595033.db2.gz WHDSDHXBLSJJHZ-JKSUJKDBSA-N 2 0 293.455 1.709 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001566020831 1168217182 /nfs/dbraw/zinc/21/71/82/1168217182.db2.gz UQYRWNIIBISGSI-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001566076245 1168229408 /nfs/dbraw/zinc/22/94/08/1168229408.db2.gz UQVLYBRYQZNABF-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001566092982 1168233166 /nfs/dbraw/zinc/23/31/66/1168233166.db2.gz QRZLOFWQUVZCPP-KGLIPLIRSA-N 2 0 277.412 1.073 10 30 CDEERP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001567265180 1168643617 /nfs/dbraw/zinc/64/36/17/1168643617.db2.gz RPJRODSPWUUTLN-OAHLLOKOSA-N 2 0 289.423 1.076 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001272533650 913386393 /nfs/dbraw/zinc/38/63/93/913386393.db2.gz HJVINSIDOIBFSQ-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001266465921 894989806 /nfs/dbraw/zinc/98/98/06/894989806.db2.gz FRIXGPZSOYHTFR-HNNXBMFYSA-N 2 0 279.428 1.132 10 30 CDEERP C=CC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266617298 895596431 /nfs/dbraw/zinc/59/64/31/895596431.db2.gz DBGDJSPOENRHBT-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001266963656 896454737 /nfs/dbraw/zinc/45/47/37/896454737.db2.gz BXDHMNRHTQXFCY-GOEBONIOSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001267058815 896654354 /nfs/dbraw/zinc/65/43/54/896654354.db2.gz WHAZBWZKUKSGRN-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001267201060 897131096 /nfs/dbraw/zinc/13/10/96/897131096.db2.gz JSEMTMHFJTZUMB-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001267217553 897183075 /nfs/dbraw/zinc/18/30/75/897183075.db2.gz KPWYIWMNJFMUHY-UHFFFAOYSA-N 2 0 269.433 1.588 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001567591163 1168876676 /nfs/dbraw/zinc/87/66/76/1168876676.db2.gz ZIZGXHUOAOTSSR-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001480948197 898073612 /nfs/dbraw/zinc/07/36/12/898073612.db2.gz XKAAEJFRWGSFTL-UHFFFAOYSA-N 2 0 281.444 1.877 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267570642 898427587 /nfs/dbraw/zinc/42/75/87/898427587.db2.gz QWWYPHHRGXUYRC-HUUCEWRRSA-N 2 0 279.428 1.034 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001267815639 899801353 /nfs/dbraw/zinc/80/13/53/899801353.db2.gz QBCOGLDBTAWGEA-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+]C[C@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@H]1C ZINC001267874417 899931096 /nfs/dbraw/zinc/93/10/96/899931096.db2.gz UEJVKEZDNBARHO-NVXWUHKLSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267988927 900205007 /nfs/dbraw/zinc/20/50/07/900205007.db2.gz BYTFNTOLBKQFPB-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481490756 900910530 /nfs/dbraw/zinc/91/05/30/900910530.db2.gz JLMQYUZXCIQBFS-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001481497626 900925482 /nfs/dbraw/zinc/92/54/82/900925482.db2.gz NYBBWSBDLRJJOL-CYBMUJFWSA-N 2 0 287.835 1.471 10 30 CDEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001482026458 902484003 /nfs/dbraw/zinc/48/40/03/902484003.db2.gz LBBCRZTXIQPHNK-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001269079932 903400583 /nfs/dbraw/zinc/40/05/83/903400583.db2.gz VRARHIRSACTXOE-CQSZACIVSA-N 2 0 265.401 1.141 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001269971821 904241118 /nfs/dbraw/zinc/24/11/18/904241118.db2.gz JMPDSGMHRIHTDJ-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482367348 905208420 /nfs/dbraw/zinc/20/84/20/905208420.db2.gz GOAIDPJOUTUHMF-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001271548315 906509329 /nfs/dbraw/zinc/50/93/29/906509329.db2.gz CFGPZVFVYNXMCS-LSDHHAIUSA-N 2 0 291.439 1.485 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001483007487 908683912 /nfs/dbraw/zinc/68/39/12/908683912.db2.gz AKPJDAPHFYWUCO-PRQMKSPXSA-N 2 0 277.412 1.002 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001483197739 909959905 /nfs/dbraw/zinc/95/99/05/909959905.db2.gz PSNMQAPWKWSQRW-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001568075837 1169132392 /nfs/dbraw/zinc/13/23/92/1169132392.db2.gz IVUXPVPARJBJEC-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1CC ZINC001483623325 911827509 /nfs/dbraw/zinc/82/75/09/911827509.db2.gz IHCKFJQFNVBEEB-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483955375 915237178 /nfs/dbraw/zinc/23/71/78/915237178.db2.gz GTPRWEUZKGWOBV-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001484382376 915699561 /nfs/dbraw/zinc/69/95/61/915699561.db2.gz XAQYDTMBXRCUDT-CVEARBPZSA-N 2 0 295.471 1.979 10 30 CDEERP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001484722084 916104382 /nfs/dbraw/zinc/10/43/82/916104382.db2.gz RGHKSHPXRQIJLR-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001484993876 916377850 /nfs/dbraw/zinc/37/78/50/916377850.db2.gz OUIDYEZHXGQMRM-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001485109777 916537629 /nfs/dbraw/zinc/53/76/29/916537629.db2.gz HQQKICNKVDHALB-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+][C@H](CCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001485785382 917290345 /nfs/dbraw/zinc/29/03/45/917290345.db2.gz ZZEFIBIWTXZRGC-CQSZACIVSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001485956330 920594177 /nfs/dbraw/zinc/59/41/77/920594177.db2.gz VRAICOLEKVUXQC-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001649448962 1169258889 /nfs/dbraw/zinc/25/88/89/1169258889.db2.gz HHLRYTMQDYJQTL-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001494574864 923807311 /nfs/dbraw/zinc/80/73/11/923807311.db2.gz CPFJPMUUDGLNIN-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001491362477 936898773 /nfs/dbraw/zinc/89/87/73/936898773.db2.gz YQOSMCRTSGCOPV-UHFFFAOYSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001490776827 927341845 /nfs/dbraw/zinc/34/18/45/927341845.db2.gz KZVBFKAXGKIQHH-HOTGVXAUSA-N 2 0 291.439 1.132 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568632899 1169408697 /nfs/dbraw/zinc/40/86/97/1169408697.db2.gz SEUANFLFWINSLX-HIFRSBDPSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)Cc1c[nH]cn1)C1CCCC1 ZINC001278276922 945240903 /nfs/dbraw/zinc/24/09/03/945240903.db2.gz ZIJNXNFBSRYJSN-CQSZACIVSA-N 2 0 276.384 1.403 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC001524268624 970832279 /nfs/dbraw/zinc/83/22/79/970832279.db2.gz XPXVZKNPMXRIJG-MNOVXSKESA-N 2 0 259.781 1.057 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001277252261 942242813 /nfs/dbraw/zinc/24/28/13/942242813.db2.gz GVWNDAUKHCHFMK-UHFFFAOYSA-N 2 0 291.439 1.514 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001280263881 942427041 /nfs/dbraw/zinc/42/70/41/942427041.db2.gz OBEHSAIRUMKUCA-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001280263882 942427125 /nfs/dbraw/zinc/42/71/25/942427125.db2.gz OBEHSAIRUMKUCA-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001281101422 942535849 /nfs/dbraw/zinc/53/58/49/942535849.db2.gz TXSCKOCDJHZKPB-KRWDZBQOSA-N 2 0 291.439 1.276 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001277428964 942549653 /nfs/dbraw/zinc/54/96/53/942549653.db2.gz GJQHBXLVXITRKW-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001277694124 943342466 /nfs/dbraw/zinc/34/24/66/943342466.db2.gz OXNGRKGOCZNMQD-OAHLLOKOSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001263955306 944044615 /nfs/dbraw/zinc/04/46/15/944044615.db2.gz JBYIECMROUBNGM-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001277937973 944126797 /nfs/dbraw/zinc/12/67/97/944126797.db2.gz MADSDLJFHCNVNU-CZUORRHYSA-N 2 0 297.418 1.269 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001265092536 944226766 /nfs/dbraw/zinc/22/67/66/944226766.db2.gz RZQCEBYYJXLUPK-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH+]1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001265197397 944266407 /nfs/dbraw/zinc/26/64/07/944266407.db2.gz PDEPAJDGYFETDV-UHFFFAOYSA-N 2 0 293.455 1.520 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001265496922 944408878 /nfs/dbraw/zinc/40/88/78/944408878.db2.gz GOADQNWBESEHMG-WKILWMFISA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001265559929 944429219 /nfs/dbraw/zinc/42/92/19/944429219.db2.gz AFEAAVZDUHFEQY-XUWVNRHRSA-N 2 0 291.439 1.816 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001265633500 944451840 /nfs/dbraw/zinc/45/18/40/944451840.db2.gz XRGNLCJJHBDSBN-RDJZCZTQSA-N 2 0 291.439 1.487 10 30 CDEERP C#CCC[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001265655948 944458385 /nfs/dbraw/zinc/45/83/85/944458385.db2.gz SNFHWSIJKUCKOS-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265704842 944475948 /nfs/dbraw/zinc/47/59/48/944475948.db2.gz AQSPZYUZFWZTPR-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001265743095 944486396 /nfs/dbraw/zinc/48/63/96/944486396.db2.gz BLJNMCWQBLSWMW-UHFFFAOYSA-N 2 0 293.455 1.759 10 30 CDEERP CC#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001265851299 944541479 /nfs/dbraw/zinc/54/14/79/944541479.db2.gz KSYWDKUHHWEXKE-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001265979678 944611381 /nfs/dbraw/zinc/61/13/81/944611381.db2.gz QRSIPDVWGIBQOT-OWCLPIDISA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266110735 944686996 /nfs/dbraw/zinc/68/69/96/944686996.db2.gz NYVARLGLSRBONS-CABCVRRESA-N 2 0 279.428 1.273 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001568850365 1169517508 /nfs/dbraw/zinc/51/75/08/1169517508.db2.gz KROIICRXDCDWMR-ISZGNANSSA-N 2 0 299.846 1.874 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266153181 944718069 /nfs/dbraw/zinc/71/80/69/944718069.db2.gz ZTWVNFAZHOIRQQ-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC001262571469 946722515 /nfs/dbraw/zinc/72/25/15/946722515.db2.gz VVHQGUFAOKGZMS-ZIAGYGMSSA-N 2 0 294.443 1.263 10 30 CDEERP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001480256881 971648988 /nfs/dbraw/zinc/64/89/88/971648988.db2.gz ILFAJBTUEYLHLR-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001480827445 971897011 /nfs/dbraw/zinc/89/70/11/971897011.db2.gz UUTNEZLTGAOOHJ-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001324640496 953488643 /nfs/dbraw/zinc/48/86/43/953488643.db2.gz BGFUVVCUAUXCNI-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001569170987 1169702676 /nfs/dbraw/zinc/70/26/76/1169702676.db2.gz WHFIUCOATMKELW-LSDHHAIUSA-N 2 0 291.439 1.533 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001328101849 955192183 /nfs/dbraw/zinc/19/21/83/955192183.db2.gz IETXIMSAVPMVQQ-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491883591 955492440 /nfs/dbraw/zinc/49/24/40/955492440.db2.gz WJTHENNWLJMANY-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001328869970 955525348 /nfs/dbraw/zinc/52/53/48/955525348.db2.gz VIRZBGOUKGOETL-GPANFISMSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001491943919 955536603 /nfs/dbraw/zinc/53/66/03/955536603.db2.gz UJGKLZQPZVVPDG-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001329334815 955829730 /nfs/dbraw/zinc/82/97/30/955829730.db2.gz CVAGVLDWALEXFM-OAHLLOKOSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001492423050 955874976 /nfs/dbraw/zinc/87/49/76/955874976.db2.gz LONJOPWXOOHRMH-UHFFFAOYSA-N 2 0 283.460 1.979 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480680616 956502897 /nfs/dbraw/zinc/50/28/97/956502897.db2.gz NPZBDIFUTZZSFN-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001316859331 956646340 /nfs/dbraw/zinc/64/63/40/956646340.db2.gz NVEQZAHDRPOYKX-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001330978232 956738891 /nfs/dbraw/zinc/73/88/91/956738891.db2.gz YLIDAWFZOHBLEU-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001316793189 957025007 /nfs/dbraw/zinc/02/50/07/957025007.db2.gz RQAKNOBXSIIUPX-RDBSUJKOSA-N 2 0 267.417 1.482 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001331592294 957154997 /nfs/dbraw/zinc/15/49/97/957154997.db2.gz BWTDOEWBMHQCHW-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001317453907 957486581 /nfs/dbraw/zinc/48/65/81/957486581.db2.gz TZIPDGNIFPDFCW-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317466668 957496822 /nfs/dbraw/zinc/49/68/22/957496822.db2.gz CTMNUYUSJRXJHB-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2ncc[nH]2)C1 ZINC001317805115 957671175 /nfs/dbraw/zinc/67/11/75/957671175.db2.gz IUVALSXKJZAXKB-CYBMUJFWSA-N 2 0 276.384 1.357 10 30 CDEERP C#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001317810867 957673855 /nfs/dbraw/zinc/67/38/55/957673855.db2.gz GRDWQTCAMVWOSW-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)Cc1cnc[nH]1)C(C)C ZINC001332731664 957695566 /nfs/dbraw/zinc/69/55/66/957695566.db2.gz CQPIZKVHVXXSON-UHFFFAOYSA-N 2 0 276.384 1.144 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001317994422 957842337 /nfs/dbraw/zinc/84/23/37/957842337.db2.gz RLCIPRRFKNEYFO-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001318299989 958019986 /nfs/dbraw/zinc/01/99/86/958019986.db2.gz QSSJAGABINWNGX-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001318445054 958105445 /nfs/dbraw/zinc/10/54/45/958105445.db2.gz IVRSUQFBKSIXBY-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001318483872 958124693 /nfs/dbraw/zinc/12/46/93/958124693.db2.gz HEHQKTSKQKFLRX-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001318697892 958236275 /nfs/dbraw/zinc/23/62/75/958236275.db2.gz DPMWFFFAIDDRPV-UNEWFSDZSA-N 2 0 291.439 1.224 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001318854542 958283461 /nfs/dbraw/zinc/28/34/61/958283461.db2.gz JRRKBGYXSNXBAS-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC001319758223 958715617 /nfs/dbraw/zinc/71/56/17/958715617.db2.gz MKUWCXCYZPYGRU-ZIAGYGMSSA-N 2 0 263.385 1.612 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001320588373 959259580 /nfs/dbraw/zinc/25/95/80/959259580.db2.gz VGPFGEDKKZOZSN-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCC1 ZINC001495182040 972434398 /nfs/dbraw/zinc/43/43/98/972434398.db2.gz BCYGBTJHIVPRFP-UHFFFAOYSA-N 2 0 281.444 1.923 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001321334515 959727099 /nfs/dbraw/zinc/72/70/99/959727099.db2.gz AWGUTEGXIVKKAT-ISZGNANSSA-N 2 0 265.401 1.166 10 30 CDEERP C#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001495247817 972457489 /nfs/dbraw/zinc/45/74/89/972457489.db2.gz FYWXPJHVIPGDKW-RDJZCZTQSA-N 2 0 291.439 1.367 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC001322305583 960176190 /nfs/dbraw/zinc/17/61/90/960176190.db2.gz FMURRUDFDUCBFW-GDBMZVCRSA-N 2 0 287.407 1.359 10 30 CDEERP C#CC[C@H](CCOC)[NH2+]CC1CC[NH+](CC)CC1 ZINC001560954903 961042482 /nfs/dbraw/zinc/04/24/82/961042482.db2.gz GBXYKZIKTBLBBQ-OAHLLOKOSA-N 2 0 252.402 1.736 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001324066120 961149497 /nfs/dbraw/zinc/14/94/97/961149497.db2.gz BXVVUAJLPOIJLL-GJZGRUSLSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001324099002 961163189 /nfs/dbraw/zinc/16/31/89/961163189.db2.gz UUPSADUWNCOZAN-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001419568626 961824112 /nfs/dbraw/zinc/82/41/12/961824112.db2.gz OXUPORNRORAVNS-KGLIPLIRSA-N 2 0 299.846 1.519 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001441972814 964813716 /nfs/dbraw/zinc/81/37/16/964813716.db2.gz XWLDHAXIORIMOW-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001446600563 966595521 /nfs/dbraw/zinc/59/55/21/966595521.db2.gz GXRBYCVNEOYWRC-CQSZACIVSA-N 2 0 287.835 1.519 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001542887183 967253992 /nfs/dbraw/zinc/25/39/92/967253992.db2.gz DNTNOAUGAAZGSD-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001496063918 972781458 /nfs/dbraw/zinc/78/14/58/972781458.db2.gz MPTSBKPJEBPYOU-SOUVJXGZSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001497329894 973288636 /nfs/dbraw/zinc/28/86/36/973288636.db2.gz FIUFKMNYNKTTDE-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001417782986 973382160 /nfs/dbraw/zinc/38/21/60/973382160.db2.gz YTNKESCNKWVEQC-BETUJISGSA-N 2 0 285.819 1.319 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498415310 973898645 /nfs/dbraw/zinc/89/86/45/973898645.db2.gz LHQMIGKVXLWSOE-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001499922456 974336857 /nfs/dbraw/zinc/33/68/57/974336857.db2.gz DDGSHDGXWSLIIL-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001500281254 974414226 /nfs/dbraw/zinc/41/42/26/974414226.db2.gz SVQVYNOMFLNSSH-NVXWUHKLSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001501133481 974539316 /nfs/dbraw/zinc/53/93/16/974539316.db2.gz YMZTXBHPFPDLQN-GJZGRUSLSA-N 2 0 279.428 1.036 10 30 CDEERP CC#CC[NH+](C)CCCN(C)C(=O)C[N@@H+](C)CCC ZINC001502392741 974732019 /nfs/dbraw/zinc/73/20/19/974732019.db2.gz UDNWJNPKQJRDJA-UHFFFAOYSA-N 2 0 267.417 1.132 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001376941168 974825316 /nfs/dbraw/zinc/82/53/16/974825316.db2.gz MPKKSERWROLMQT-LBPRGKRZSA-N 2 0 273.808 1.129 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001506670047 975200910 /nfs/dbraw/zinc/20/09/10/975200910.db2.gz IROHTAUAIHEQLO-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001506962082 975275220 /nfs/dbraw/zinc/27/52/20/975275220.db2.gz VCGAXDRNZOUEHT-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001507398294 975452230 /nfs/dbraw/zinc/45/22/30/975452230.db2.gz ISOVOJGKZPEEPE-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001508021143 975579712 /nfs/dbraw/zinc/57/97/12/975579712.db2.gz GWFVIFKLFDEIIX-KGLIPLIRSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001399427143 976475561 /nfs/dbraw/zinc/47/55/61/976475561.db2.gz JAHMAPRIQOOPPF-GFCCVEGCSA-N 2 0 273.808 1.319 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001407110337 976561584 /nfs/dbraw/zinc/56/15/84/976561584.db2.gz ZYXQWTXSIVBRAR-OLZOCXBDSA-N 2 0 285.819 1.414 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001674172352 1173921648 /nfs/dbraw/zinc/92/16/48/1173921648.db2.gz YNAAWPJPWXZVKU-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001675317150 1174101940 /nfs/dbraw/zinc/10/19/40/1174101940.db2.gz CNERTSWQNSDODI-ZBFHGGJFSA-N 2 0 295.471 1.975 10 30 CDEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001675317149 1174101514 /nfs/dbraw/zinc/10/15/14/1174101514.db2.gz CNERTSWQNSDODI-HOCLYGCPSA-N 2 0 295.471 1.975 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001570092904 1170076251 /nfs/dbraw/zinc/07/62/51/1170076251.db2.gz WSJKUOPOBIRJJP-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001570540227 1170183910 /nfs/dbraw/zinc/18/39/10/1170183910.db2.gz MGNALFNKNRRFAJ-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001570793123 1170280519 /nfs/dbraw/zinc/28/05/19/1170280519.db2.gz FNHSBVLTMLGBSO-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[NH2+]Cc1ccc(CNC(=O)CC[NH+](C)C)c(F)c1 ZINC001571703701 1170528978 /nfs/dbraw/zinc/52/89/78/1170528978.db2.gz QCCZDDWQTUGFTO-UHFFFAOYSA-N 2 0 293.386 1.669 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000594438729 342906417 /nfs/dbraw/zinc/90/64/17/342906417.db2.gz KUJGYVHNQBQMRN-CABCVRRESA-N 2 0 292.427 1.388 10 30 CDEERP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000594440624 342907196 /nfs/dbraw/zinc/90/71/96/342907196.db2.gz HDCDBZRBCAREJJ-ILXRZTDVSA-N 2 0 294.443 1.634 10 30 CDEERP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C[NH+]1CCCC1 ZINC000594441680 342907546 /nfs/dbraw/zinc/90/75/46/342907546.db2.gz URVRITFLLVAQAK-KGLIPLIRSA-N 2 0 280.416 1.246 10 30 CDEERP COCCC[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600725545 342245213 /nfs/dbraw/zinc/24/52/13/342245213.db2.gz XSUZMYNDDKDDEL-HNNXBMFYSA-N 2 0 295.427 1.132 10 30 CDEERP N#CC1(C[C@@H](O)C[NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000600734204 342246045 /nfs/dbraw/zinc/24/60/45/342246045.db2.gz FVOUSKPUTBVRJC-YMAMQOFZSA-N 2 0 277.412 1.648 10 30 CDEERP N#CCc1cccc2c1CC[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000600751405 342247325 /nfs/dbraw/zinc/24/73/25/342247325.db2.gz RBPMBCCFTDDKDU-MRXNPFEDSA-N 2 0 297.402 1.632 10 30 CDEERP N#Cc1cccc(C2([NH2+]CCOCC[NH3+])CCOCC2)c1 ZINC000595909821 343189513 /nfs/dbraw/zinc/18/95/13/343189513.db2.gz NVWWRYGWVAOJIW-UHFFFAOYSA-N 2 0 289.379 1.129 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001660369211 1172205099 /nfs/dbraw/zinc/20/50/99/1172205099.db2.gz RZXVSMCDWPYBIY-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001660409333 1172211185 /nfs/dbraw/zinc/21/11/85/1172211185.db2.gz YOOILKHDRQBPQP-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CCNCc1cn(Cc2c(C)cc(C)nc2C)nn1 ZINC000641187292 365178015 /nfs/dbraw/zinc/17/80/15/365178015.db2.gz IWBVSDZYSQGCIN-UHFFFAOYSA-N 2 0 283.379 1.760 10 30 CDEERP C=CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001661890509 1172462818 /nfs/dbraw/zinc/46/28/18/1172462818.db2.gz HGIXGFYKNUXHBA-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H](C2CC2)[NH+](C)C)CCC[NH2+]1 ZINC000662688476 413314999 /nfs/dbraw/zinc/31/49/99/413314999.db2.gz OJZAHYYFOSPMAH-HIFRSBDPSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[C@@]1(C(=O)Nc2cnn(CC[NH+](C)C)c2)CCC[NH2+]1 ZINC000662701778 413349526 /nfs/dbraw/zinc/34/95/26/413349526.db2.gz RWIXRTGWVFCDQM-HNNXBMFYSA-N 2 0 291.399 1.082 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC[C@@H]([NH+](C)C)C2)CCC[NH2+]1 ZINC000662713784 413369145 /nfs/dbraw/zinc/36/91/45/413369145.db2.gz YTRYVJIFAHWQPT-HIFRSBDPSA-N 2 0 265.401 1.237 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@]2(CC=C)CCC[NH2+]2)CC1 ZINC000662721068 413382543 /nfs/dbraw/zinc/38/25/43/413382543.db2.gz IXXMPGNSOHIHIF-INIZCTEOSA-N 2 0 277.412 1.451 10 30 CDEERP C=CC[C@]1(C(=O)NCCC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662729787 413391632 /nfs/dbraw/zinc/39/16/32/413391632.db2.gz XHRWWJGEBMKCBQ-QGZVFWFLSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000662743925 413417755 /nfs/dbraw/zinc/41/77/55/413417755.db2.gz XGQDGEFPBPOJDA-NVXWUHKLSA-N 2 0 291.439 1.629 10 30 CDEERP CCN[C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190766 176069040 /nfs/dbraw/zinc/06/90/40/176069040.db2.gz UDGLDVXNXXWOLW-LSDHHAIUSA-N 2 0 266.433 1.542 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001665839727 1173071979 /nfs/dbraw/zinc/07/19/79/1173071979.db2.gz RSLDLKHPXRHURG-AWEZNQCLSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001666546594 1173150851 /nfs/dbraw/zinc/15/08/51/1173150851.db2.gz KSYPZGWACKDBNI-UKRRQHHQSA-N 2 0 279.428 1.246 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001667032689 1173225510 /nfs/dbraw/zinc/22/55/10/1173225510.db2.gz DLMDWFQXTVJHNT-UONOGXRCSA-N 2 0 269.433 1.585 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653117868 424304013 /nfs/dbraw/zinc/30/40/13/424304013.db2.gz XXMCLRLGBIFQLW-CABCVRRESA-N 2 0 277.412 1.284 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001669599391 1173573790 /nfs/dbraw/zinc/57/37/90/1173573790.db2.gz OCUASQCCLNWHOE-ZDUSSCGKSA-N 2 0 279.428 1.367 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001673391127 1173851939 /nfs/dbraw/zinc/85/19/39/1173851939.db2.gz LLHCJRIBEDPLMT-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000262451078 330013998 /nfs/dbraw/zinc/01/39/98/330013998.db2.gz JWLIKZNGKPGPLZ-KBPBESRZSA-N 2 0 282.432 1.142 10 30 CDEERP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001725163126 1159173591 /nfs/dbraw/zinc/17/35/91/1159173591.db2.gz BGPHAEXDSQVDER-ZIAGYGMSSA-N 2 0 285.407 1.126 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001268737741 1160009732 /nfs/dbraw/zinc/00/97/32/1160009732.db2.gz NFOXUGGWBCGCGA-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001269602076 1160065680 /nfs/dbraw/zinc/06/56/80/1160065680.db2.gz RSQXCHBBBAQCGK-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001700888918 1177180446 /nfs/dbraw/zinc/18/04/46/1177180446.db2.gz RORYYQXXBUXZGL-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001482570895 1160416464 /nfs/dbraw/zinc/41/64/64/1160416464.db2.gz HDIOOBKLBFRQCU-CYBMUJFWSA-N 2 0 289.851 1.810 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001482664185 1160586105 /nfs/dbraw/zinc/58/61/05/1160586105.db2.gz SRKBTJJFLGRCDL-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001691623362 1160721803 /nfs/dbraw/zinc/72/18/03/1160721803.db2.gz UGNKERGZUYCRLT-ZDUSSCGKSA-N 2 0 287.835 1.661 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001716075663 1180032317 /nfs/dbraw/zinc/03/23/17/1180032317.db2.gz PHPWOEYBOWNGHO-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732694480 1183089222 /nfs/dbraw/zinc/08/92/22/1183089222.db2.gz JTDSYZSXEKVBJM-QLFBSQMISA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001734039297 1183628988 /nfs/dbraw/zinc/62/89/88/1183628988.db2.gz KAYXXOBCKQDSSV-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH+](CC=C)C[C@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052376695 518770523 /nfs/dbraw/zinc/77/05/23/518770523.db2.gz DDBMDALRNRJBJC-LSDHHAIUSA-N 2 0 250.386 1.960 10 30 CDEERP CC(C)[NH+]1CCN(Cc2ccc(C#CC[NH3+])cc2F)CC1 ZINC000049609279 519682503 /nfs/dbraw/zinc/68/25/03/519682503.db2.gz OXINXAMOVCGEPR-UHFFFAOYSA-N 2 0 289.398 1.662 10 30 CDEERP COC(=O)C1CC[NH+](Cc2ccccc2C#CC[NH3+])CC1 ZINC000049608338 522916365 /nfs/dbraw/zinc/91/63/65/522916365.db2.gz XOIGVCQOTJGHRR-UHFFFAOYSA-N 2 0 286.375 1.382 10 30 CDEERP C[NH+](C)CC1CC[NH+](CC[C@H](C#N)NC2CC2)CC1 ZINC000062436825 524049489 /nfs/dbraw/zinc/04/94/89/524049489.db2.gz RQOCBCGIVWAEIA-OAHLLOKOSA-N 2 0 264.417 1.294 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001688911102 1175064149 /nfs/dbraw/zinc/06/41/49/1175064149.db2.gz ZYYOLCGYQCMBJX-MJBXVCDLSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001689265566 1175133269 /nfs/dbraw/zinc/13/32/69/1175133269.db2.gz XRUFKMKDOHVZKB-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001698594084 1175194686 /nfs/dbraw/zinc/19/46/86/1175194686.db2.gz FJZBWBLRBURAIQ-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000939808683 613868667 /nfs/dbraw/zinc/86/86/67/613868667.db2.gz GBGXOSDYZLHLJW-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000899959154 622583621 /nfs/dbraw/zinc/58/36/21/622583621.db2.gz TVBHFNUHIFRECU-ZDUSSCGKSA-N 2 0 295.452 1.975 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000900427198 623040005 /nfs/dbraw/zinc/04/00/05/623040005.db2.gz VAVDUSUALKHMBR-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000912296818 629899207 /nfs/dbraw/zinc/89/92/07/629899207.db2.gz LBPQKAKYARGIOF-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1csc(C#N)c1 ZINC000921705363 633216786 /nfs/dbraw/zinc/21/67/86/633216786.db2.gz UBPMAZOFKQFJET-LBPRGKRZSA-N 2 0 278.425 1.345 10 30 CDEERP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266859052 1158913438 /nfs/dbraw/zinc/91/34/38/1158913438.db2.gz WRFPEFORTGFGPL-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001691263244 1158984033 /nfs/dbraw/zinc/98/40/33/1158984033.db2.gz KFQJKDUWWBIUPH-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001270128536 1160091810 /nfs/dbraw/zinc/09/18/10/1160091810.db2.gz IHILOZKHHPVPFL-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001566029411 1168217366 /nfs/dbraw/zinc/21/73/66/1168217366.db2.gz ZVHGSZWVVTTWCE-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001566863615 1168449677 /nfs/dbraw/zinc/44/96/77/1168449677.db2.gz YEWKLTVRPHMEJH-QLFBSQMISA-N 2 0 279.428 1.674 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001566893490 1168459293 /nfs/dbraw/zinc/45/92/93/1168459293.db2.gz IWSDPBFORGSZOU-GOEBONIOSA-N 2 0 291.439 1.342 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001567307887 1168670744 /nfs/dbraw/zinc/67/07/44/1168670744.db2.gz MGLCJRXMBKSZDT-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001569321706 1169763963 /nfs/dbraw/zinc/76/39/63/1169763963.db2.gz UIPNLZVXLWWLLD-INIZCTEOSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001569673894 1169963119 /nfs/dbraw/zinc/96/31/19/1169963119.db2.gz ZPBRUAGNFMFLBL-INIZCTEOSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)CCCn1ccnc1C ZINC001570742388 1170263588 /nfs/dbraw/zinc/26/35/88/1170263588.db2.gz OYPATLNKABEBQP-CYBMUJFWSA-N 2 0 276.384 1.041 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001571125821 1170339469 /nfs/dbraw/zinc/33/94/69/1170339469.db2.gz OGUGXVMZZQOSKM-RBSFLKMASA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001571657780 1170511649 /nfs/dbraw/zinc/51/16/49/1170511649.db2.gz VSPFHSAZGAFMBU-UYSNPLJNSA-N 2 0 291.439 1.483 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001650417685 1171046351 /nfs/dbraw/zinc/04/63/51/1171046351.db2.gz NHXFSRCZCVTCAU-LLVKDONJSA-N 2 0 273.808 1.304 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001660744755 1172270594 /nfs/dbraw/zinc/27/05/94/1172270594.db2.gz NSUIWRNVLHWANE-UHFFFAOYSA-N 2 0 289.423 1.076 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001662239580 1172514611 /nfs/dbraw/zinc/51/46/11/1172514611.db2.gz SQEIQUDDVUOYFM-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001662351442 1172535888 /nfs/dbraw/zinc/53/58/88/1172535888.db2.gz VYGYVAKKMOZIPP-LSDHHAIUSA-N 2 0 279.428 1.367 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001668652380 1173436173 /nfs/dbraw/zinc/43/61/73/1173436173.db2.gz NVYSEWXHYFDBTP-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001676480642 1174231366 /nfs/dbraw/zinc/23/13/66/1174231366.db2.gz GJRKQXRPVFTZSE-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001676667344 1174252950 /nfs/dbraw/zinc/25/29/50/1174252950.db2.gz DEIOPZDBYBMSAL-CABCVRRESA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001676754941 1174267542 /nfs/dbraw/zinc/26/75/42/1174267542.db2.gz HXRRDIMEOQGXPA-LSDHHAIUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001690453243 1175474186 /nfs/dbraw/zinc/47/41/86/1175474186.db2.gz UNTUCOCHXHUDQC-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001690771950 1175570968 /nfs/dbraw/zinc/57/09/68/1175570968.db2.gz MGXAAQKIVWYMPM-CABCVRRESA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001698588950 1175859519 /nfs/dbraw/zinc/85/95/19/1175859519.db2.gz XAOMJZAPFYRPPJ-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001698809135 1175940268 /nfs/dbraw/zinc/94/02/68/1175940268.db2.gz XLJFDINUDPUWHD-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001698805368 1175941110 /nfs/dbraw/zinc/94/11/10/1175941110.db2.gz FJKGCUNMJRPIQJ-UHFFFAOYSA-N 2 0 291.439 1.677 10 30 CDEERP C=CC[NH+]1CC2(C1)CCN(C(=O)CC[N@@H+](C)CCC)CC2 ZINC001698811090 1175941638 /nfs/dbraw/zinc/94/16/38/1175941638.db2.gz IRYDUHPPNBZUTH-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001699346066 1176285519 /nfs/dbraw/zinc/28/55/19/1176285519.db2.gz SKEZRHFIRSSELO-SNAWJCMRSA-N 2 0 279.428 1.701 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001699743905 1176600535 /nfs/dbraw/zinc/60/05/35/1176600535.db2.gz RNYVIEWLLRRNGV-HUUCEWRRSA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001699763341 1176611925 /nfs/dbraw/zinc/61/19/25/1176611925.db2.gz VZDHFPUSQCWLHG-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001699949079 1176692517 /nfs/dbraw/zinc/69/25/17/1176692517.db2.gz BKPJXHXMUULQGF-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001700486892 1176975058 /nfs/dbraw/zinc/97/50/58/1176975058.db2.gz HAVSUSHEKMINPY-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001700488117 1176978322 /nfs/dbraw/zinc/97/83/22/1176978322.db2.gz RCZQFTIOIMSSIW-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001700628616 1177042461 /nfs/dbraw/zinc/04/24/61/1177042461.db2.gz AHCRCWOXASOTJR-KKUMJFAQSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[N@@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001700976129 1177221722 /nfs/dbraw/zinc/22/17/22/1177221722.db2.gz HBLMDXRXNKGJEN-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001701022947 1177243528 /nfs/dbraw/zinc/24/35/28/1177243528.db2.gz NIDVHDSJFHTVCQ-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001701056405 1177258080 /nfs/dbraw/zinc/25/80/80/1177258080.db2.gz HARDWBVRGRMFDC-UHFFFAOYSA-N 2 0 279.428 1.653 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001707070984 1177937525 /nfs/dbraw/zinc/93/75/25/1177937525.db2.gz WLXCRDZPJCQJKY-YHUYYLMFSA-N 2 0 291.439 1.224 10 30 CDEERP C#CCC[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001712990528 1178289808 /nfs/dbraw/zinc/28/98/08/1178289808.db2.gz CCAGYSIYYSURNX-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001713055374 1178333126 /nfs/dbraw/zinc/33/31/26/1178333126.db2.gz PYRVQBCYVNTYEY-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001713195905 1178425012 /nfs/dbraw/zinc/42/50/12/1178425012.db2.gz FMAXPZYESLVFAD-GASCZTMLSA-N 2 0 291.439 1.818 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001713343708 1178511708 /nfs/dbraw/zinc/51/17/08/1178511708.db2.gz ZNQVEAQEXWVOMR-LSDHHAIUSA-N 2 0 297.418 1.128 10 30 CDEERP C=CCC[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001713517858 1178620866 /nfs/dbraw/zinc/62/08/66/1178620866.db2.gz SADOXJCQCDFZAB-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001713539952 1178633701 /nfs/dbraw/zinc/63/37/01/1178633701.db2.gz PFHNHLPYKAGNLR-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001714046600 1178943745 /nfs/dbraw/zinc/94/37/45/1178943745.db2.gz HWLLMAHKGJMQKV-GJZGRUSLSA-N 2 0 279.428 1.273 10 30 CDEERP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1ccnc1 ZINC001714114868 1178978715 /nfs/dbraw/zinc/97/87/15/1178978715.db2.gz ODBDWFVJFWRCAZ-HUUCEWRRSA-N 2 0 290.411 1.991 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714390076 1179119711 /nfs/dbraw/zinc/11/97/11/1179119711.db2.gz BLBGOHFJUOUVCE-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714418569 1179130027 /nfs/dbraw/zinc/13/00/27/1179130027.db2.gz BTNWZZDUZCVCOK-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001714445073 1179142269 /nfs/dbraw/zinc/14/22/69/1179142269.db2.gz DWYWOCYDHNPOAM-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001714474333 1179160650 /nfs/dbraw/zinc/16/06/50/1179160650.db2.gz JCQYMHLEPXFOEL-HNNXBMFYSA-N 2 0 297.443 1.111 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001714620808 1179270416 /nfs/dbraw/zinc/27/04/16/1179270416.db2.gz VZJQZELXEMQZEH-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001714657657 1179303083 /nfs/dbraw/zinc/30/30/83/1179303083.db2.gz VDFXNSFMMSGJDE-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001714739175 1179367261 /nfs/dbraw/zinc/36/72/61/1179367261.db2.gz IETHRDPMZCUWFX-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001714744982 1179371218 /nfs/dbraw/zinc/37/12/18/1179371218.db2.gz GFTOAJNBCGIBPK-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001714857176 1179423156 /nfs/dbraw/zinc/42/31/56/1179423156.db2.gz RFOSOLWGFIECQT-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001714945309 1179469994 /nfs/dbraw/zinc/46/99/94/1179469994.db2.gz OASVYLLHLXEJAO-GJZGRUSLSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715026733 1179516463 /nfs/dbraw/zinc/51/64/63/1179516463.db2.gz XFLSLDCRMPLSON-OAHLLOKOSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001715598475 1179729535 /nfs/dbraw/zinc/72/95/35/1179729535.db2.gz RXCHJQDOIPTUMS-CHWSQXEVSA-N 2 0 255.406 1.243 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001716072787 1180031435 /nfs/dbraw/zinc/03/14/35/1180031435.db2.gz HHIROUIDTBDUSU-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001716071364 1180031504 /nfs/dbraw/zinc/03/15/04/1180031504.db2.gz MOFAAHFTKVHZQB-CVEARBPZSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716139764 1180067790 /nfs/dbraw/zinc/06/77/90/1180067790.db2.gz HJQYWQILFFWDIZ-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001717110169 1180532524 /nfs/dbraw/zinc/53/25/24/1180532524.db2.gz BXGFPNAYSKBTMZ-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001717336451 1180620078 /nfs/dbraw/zinc/62/00/78/1180620078.db2.gz FTJLJGQWPLPFKZ-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001717899406 1180919440 /nfs/dbraw/zinc/91/94/40/1180919440.db2.gz PJDXXZUNYRUKLX-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001718033870 1180978192 /nfs/dbraw/zinc/97/81/92/1180978192.db2.gz YLWZISWIBYLUCU-UHFFFAOYSA-N 2 0 291.439 1.797 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001723155986 1181521702 /nfs/dbraw/zinc/52/17/02/1181521702.db2.gz GYQJYUIERDBEMX-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001723689650 1181593032 /nfs/dbraw/zinc/59/30/32/1181593032.db2.gz AEKJQFMOTCAZPJ-QGZVFWFLSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001723812751 1181605983 /nfs/dbraw/zinc/60/59/83/1181605983.db2.gz IDDMMKHHPMRDOK-AWEZNQCLSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001724022960 1181630283 /nfs/dbraw/zinc/63/02/83/1181630283.db2.gz LQJXNCDOMXHMLQ-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001724162148 1181646414 /nfs/dbraw/zinc/64/64/14/1181646414.db2.gz MYYWHQLTECDWJU-MRXNPFEDSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001725042298 1181832944 /nfs/dbraw/zinc/83/29/44/1181832944.db2.gz OIUYATAUCRBWJJ-BZUAXINKSA-N 2 0 291.439 1.273 10 30 CDEERP C=CCC[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001725191940 1181914909 /nfs/dbraw/zinc/91/49/09/1181914909.db2.gz FSBGVTORMYUODE-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001725230908 1181928124 /nfs/dbraw/zinc/92/81/24/1181928124.db2.gz XXUYRSQQCQJWDM-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001725474880 1182013650 /nfs/dbraw/zinc/01/36/50/1182013650.db2.gz CUVZGLIJVTWKLN-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001725599025 1182068845 /nfs/dbraw/zinc/06/88/45/1182068845.db2.gz UKBPZTZPMABPTO-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001731536163 1182440058 /nfs/dbraw/zinc/44/00/58/1182440058.db2.gz LPIDGUYETZTZRA-LSDHHAIUSA-N 2 0 299.434 1.823 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001731663202 1182507891 /nfs/dbraw/zinc/50/78/91/1182507891.db2.gz LCWIZIUXICDMTK-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001732422684 1182957815 /nfs/dbraw/zinc/95/78/15/1182957815.db2.gz JVTQZDQWSRLIGN-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001732542396 1183001023 /nfs/dbraw/zinc/00/10/23/1183001023.db2.gz YUWKYVGQKLKEFX-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001732724802 1183099369 /nfs/dbraw/zinc/09/93/69/1183099369.db2.gz VGMFZLLXGWINJF-GFCCVEGCSA-N 2 0 287.835 1.565 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733049571 1183264226 /nfs/dbraw/zinc/26/42/26/1183264226.db2.gz SDPAFDRPWYSYRQ-CQSZACIVSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001733077698 1183279204 /nfs/dbraw/zinc/27/92/04/1183279204.db2.gz LDJRTUBQIFWSCQ-LSDHHAIUSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001733228327 1183354485 /nfs/dbraw/zinc/35/44/85/1183354485.db2.gz CZTFJAVSUYAXDT-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001733446276 1183434744 /nfs/dbraw/zinc/43/47/44/1183434744.db2.gz UDBQMZJGSUOCQG-RDJZCZTQSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001733557780 1183465628 /nfs/dbraw/zinc/46/56/28/1183465628.db2.gz DLJXLOIDQALNAM-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001733557274 1183465644 /nfs/dbraw/zinc/46/56/44/1183465644.db2.gz POMFOWZLLSXQQB-LSDHHAIUSA-N 2 0 279.428 1.036 10 30 CDEERP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001734076414 1183648556 /nfs/dbraw/zinc/64/85/56/1183648556.db2.gz BUODKESNPVZBMO-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]C(C)C)CC1 ZINC001734260885 1183706672 /nfs/dbraw/zinc/70/66/72/1183706672.db2.gz CPDPPMNOGWCPSD-HNNXBMFYSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001734317656 1183727041 /nfs/dbraw/zinc/72/70/41/1183727041.db2.gz QNRZCMIDACELFU-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001734398558 1183762855 /nfs/dbraw/zinc/76/28/55/1183762855.db2.gz IBSZFSNCMXMKFE-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000876533236 751777580 /nfs/dbraw/zinc/77/75/80/751777580.db2.gz GMQZGRORWOEKGE-DVVUODLYSA-N 2 0 259.781 1.042 10 30 CDEERP C#CCC(CC#C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000857304115 751802151 /nfs/dbraw/zinc/80/21/51/751802151.db2.gz CTFXIDKRNIWSFD-HNNXBMFYSA-N 2 0 291.439 1.037 10 30 CDEERP CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1CCC[N@@H+]1C ZINC000262013756 751931694 /nfs/dbraw/zinc/93/16/94/751931694.db2.gz VEPFSOVSHSWIOE-OAHLLOKOSA-N 2 0 274.412 1.788 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000876734043 749526449 /nfs/dbraw/zinc/52/64/49/749526449.db2.gz NXZIQSAQFPOIJK-NWDGAFQWSA-N 2 0 273.808 1.303 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000876733175 749884380 /nfs/dbraw/zinc/88/43/80/749884380.db2.gz QTYSUGFJLCMAQG-KBPBESRZSA-N 2 0 299.846 1.933 10 30 CDEERP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923329792 749889616 /nfs/dbraw/zinc/88/96/16/749889616.db2.gz OYCOFEUHNBORRN-KKUMJFAQSA-N 2 0 252.402 1.778 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000877121600 749895235 /nfs/dbraw/zinc/89/52/35/749895235.db2.gz WVOWTVKEEOEOHH-NSHDSACASA-N 2 0 295.770 1.341 10 30 CDEERP CC[NH+]1CCC(CCNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000304267857 750081767 /nfs/dbraw/zinc/08/17/67/750081767.db2.gz DJDABUOMHFUFDU-AWEZNQCLSA-N 2 0 282.432 1.192 10 30 CDEERP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925654679 750156444 /nfs/dbraw/zinc/15/64/44/750156444.db2.gz HIRNSALCEFOCDF-IHRRRGAJSA-N 2 0 250.386 1.842 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000877194457 750320350 /nfs/dbraw/zinc/32/03/50/750320350.db2.gz NFBAONNKSGWKKT-LBPRGKRZSA-N 2 0 287.835 1.789 10 30 CDEERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000870994195 750452124 /nfs/dbraw/zinc/45/21/24/750452124.db2.gz OTYCFVHPKBPRCU-SWLSCSKDSA-N 2 0 280.416 1.231 10 30 CDEERP C=CC[C@]1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000852879567 751034954 /nfs/dbraw/zinc/03/49/54/751034954.db2.gz XEQDDZQLNVERPP-LZLYRXPVSA-N 2 0 299.418 1.638 10 30 CDEERP C=CC[C@@]1(C(=O)NCCCCCC[NH3+])CCC[NH2+]1 ZINC000852895340 751092527 /nfs/dbraw/zinc/09/25/27/751092527.db2.gz XRJCKCLREIPHNF-AWEZNQCLSA-N 2 0 253.390 1.320 10 30 CDEERP CN1CC[NH+](CCCCNC(=[NH2+])NC2CCCCC2)CC1 ZINC000303889750 751151334 /nfs/dbraw/zinc/15/13/34/751151334.db2.gz MBVYKQYQYWITQY-UHFFFAOYSA-N 2 0 295.475 1.251 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000876766944 751244877 /nfs/dbraw/zinc/24/48/77/751244877.db2.gz WUVPDGRTTKZTEV-NWDGAFQWSA-N 2 0 273.808 1.447 10 30 CDEERP C[NH+](C)C[C@@H]1CN(C(=O)CC(C)(C)C#N)C[C@H]1C[NH+](C)C ZINC000870019143 751313843 /nfs/dbraw/zinc/31/38/43/751313843.db2.gz REUZZGKVFMBZBI-ZIAGYGMSSA-N 2 0 294.443 1.124 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CC(=C)Cl)CC1 ZINC000876754081 751318888 /nfs/dbraw/zinc/31/88/88/751318888.db2.gz BIJDIKTYZOPIEF-GFCCVEGCSA-N 2 0 271.792 1.223 10 30 CDEERP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000708855977 752716984 /nfs/dbraw/zinc/71/69/84/752716984.db2.gz WQMUBSCEMZBVSP-BYCMXARLSA-N 2 0 259.353 1.118 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877409714 753291455 /nfs/dbraw/zinc/29/14/55/753291455.db2.gz YUPLEBZAAJVPIE-CHWSQXEVSA-N 2 0 299.846 1.885 10 30 CDEERP C=C(C[NH+](C)C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC001627075256 1165975704 /nfs/dbraw/zinc/97/57/04/1165975704.db2.gz KCJFJSVHSHRGDC-UHFFFAOYSA-N 2 0 291.395 1.683 10 30 CDEERP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001566613572 1168355755 /nfs/dbraw/zinc/35/57/55/1168355755.db2.gz IQPOWDNVOULBGL-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001566682826 1168388025 /nfs/dbraw/zinc/38/80/25/1168388025.db2.gz NJODEGNUUUHLLX-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001566880624 1168455334 /nfs/dbraw/zinc/45/53/34/1168455334.db2.gz BJKVLPVJGKOSQF-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001483722068 913083871 /nfs/dbraw/zinc/08/38/71/913083871.db2.gz PNZRMWSNSBLHMC-ZDUSSCGKSA-N 2 0 265.401 1.285 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001567354189 1168698668 /nfs/dbraw/zinc/69/86/68/1168698668.db2.gz UGVVLFKBOWWUGY-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001266246288 893906015 /nfs/dbraw/zinc/90/60/15/893906015.db2.gz NERFZPWTNIEJMG-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001266344021 894472131 /nfs/dbraw/zinc/47/21/31/894472131.db2.gz BLHLPXHBGCFQFP-KBPBESRZSA-N 2 0 276.384 1.601 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001266359457 894557891 /nfs/dbraw/zinc/55/78/91/894557891.db2.gz VXTIEGAABFFVGL-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001266362671 894570482 /nfs/dbraw/zinc/57/04/82/894570482.db2.gz PMOLVJPAUPPMIO-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[N@@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001266362577 894571305 /nfs/dbraw/zinc/57/13/05/894571305.db2.gz METBDXVSYRZQRE-UHFFFAOYSA-N 2 0 273.380 1.043 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001266430709 894838565 /nfs/dbraw/zinc/83/85/65/894838565.db2.gz ALRFUHMOWLTPMU-HNNXBMFYSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001266702091 895862705 /nfs/dbraw/zinc/86/27/05/895862705.db2.gz OUUJJHTYQSBZHM-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266880867 896268821 /nfs/dbraw/zinc/26/88/21/896268821.db2.gz QABBCNXOYMYAHH-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001267048533 896631889 /nfs/dbraw/zinc/63/18/89/896631889.db2.gz XUUTZFLTYBEMMR-ZIAGYGMSSA-N 2 0 265.401 1.095 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001267091569 896753455 /nfs/dbraw/zinc/75/34/55/896753455.db2.gz PZVLSYLAXILVHD-HOTGVXAUSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001567549623 1168846147 /nfs/dbraw/zinc/84/61/47/1168846147.db2.gz PIYRFIIPAPWBFF-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001267252565 897342141 /nfs/dbraw/zinc/34/21/41/897342141.db2.gz TYJQLJZLBMCSTD-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001267456118 897931878 /nfs/dbraw/zinc/93/18/78/897931878.db2.gz LZXHBETXVJYUBR-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001480983167 898427001 /nfs/dbraw/zinc/42/70/01/898427001.db2.gz RIUUTDOXUVLIIO-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001481239636 899572739 /nfs/dbraw/zinc/57/27/39/899572739.db2.gz VDDHJVOTZRWUPX-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267771313 899667162 /nfs/dbraw/zinc/66/71/62/899667162.db2.gz DNXQXNVZSUFRCR-AWEZNQCLSA-N 2 0 279.428 1.130 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001567686864 1168917855 /nfs/dbraw/zinc/91/78/55/1168917855.db2.gz RFOSOLWGFIECQT-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001267990511 900211315 /nfs/dbraw/zinc/21/13/15/900211315.db2.gz KEMVADYDACKGMH-HNNXBMFYSA-N 2 0 291.439 1.228 10 30 CDEERP C=CCC[N@H+]1CC[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567701182 1168925123 /nfs/dbraw/zinc/92/51/23/1168925123.db2.gz DNZSKFIYDFHNMO-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001268084527 901152762 /nfs/dbraw/zinc/15/27/62/901152762.db2.gz OAQZMYXORAVXCP-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268087049 901165828 /nfs/dbraw/zinc/16/58/28/901165828.db2.gz OHUJVPYGXIQIQX-CVEARBPZSA-N 2 0 293.455 1.709 10 30 CDEERP C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268109611 901310660 /nfs/dbraw/zinc/31/06/60/901310660.db2.gz LJMMAGZSSXYKHP-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481741394 901989484 /nfs/dbraw/zinc/98/94/84/901989484.db2.gz LJQDGDRVTSMYCC-HNNXBMFYSA-N 2 0 293.455 1.520 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268440129 902061080 /nfs/dbraw/zinc/06/10/80/902061080.db2.gz WWDYVWGYMXYLAK-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001268547970 902546719 /nfs/dbraw/zinc/54/67/19/902546719.db2.gz IZRDWGZQXZQPSQ-ISZGNANSSA-N 2 0 299.846 1.875 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268688998 902968597 /nfs/dbraw/zinc/96/85/97/902968597.db2.gz PODKRANLQMXVDM-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001269089304 903408592 /nfs/dbraw/zinc/40/85/92/903408592.db2.gz NOBDJYDRGCXJDW-CQSZACIVSA-N 2 0 277.412 1.285 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001269838254 904138784 /nfs/dbraw/zinc/13/87/84/904138784.db2.gz GTFYGFNPBXFIEH-UHFFFAOYSA-N 2 0 279.428 1.437 10 30 CDEERP C#CCC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567830580 1169002668 /nfs/dbraw/zinc/00/26/68/1169002668.db2.gz UBHMXBBQEVSWFX-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001284787620 904336297 /nfs/dbraw/zinc/33/62/97/904336297.db2.gz KESOZHMXFLMRGQ-UHFFFAOYSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001270293461 904511332 /nfs/dbraw/zinc/51/13/32/904511332.db2.gz RERBTMFHCFGGDC-ZIAGYGMSSA-N 2 0 267.417 1.339 10 30 CDEERP C=CCC[N@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001270631719 904859802 /nfs/dbraw/zinc/85/98/02/904859802.db2.gz FMOYZVYGAISIDW-QGZVFWFLSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001505833990 908308445 /nfs/dbraw/zinc/30/84/45/908308445.db2.gz YDMVJMDCZAOTEH-HNNXBMFYSA-N 2 0 293.455 1.426 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482860962 908430419 /nfs/dbraw/zinc/43/04/19/908430419.db2.gz QAZYAPJTSAMRPS-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001272178738 908680388 /nfs/dbraw/zinc/68/03/88/908680388.db2.gz PRFDZMCZAGXBSX-UHFFFAOYSA-N 2 0 279.428 1.276 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483167264 909905608 /nfs/dbraw/zinc/90/56/08/909905608.db2.gz XSRKHKVGTCWXKZ-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001273018760 921568003 /nfs/dbraw/zinc/56/80/03/921568003.db2.gz OIGQNRYJNHXZOG-AWEZNQCLSA-N 2 0 281.444 1.472 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001483410746 911083838 /nfs/dbraw/zinc/08/38/38/911083838.db2.gz WMUDOCLLENMTAY-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001483473874 911166167 /nfs/dbraw/zinc/16/61/67/911166167.db2.gz DDDGMPZMKMDHIS-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001483572872 911280409 /nfs/dbraw/zinc/28/04/09/911280409.db2.gz ZGVURXLSRYVVET-ZIAGYGMSSA-N 2 0 299.846 1.708 10 30 CDEERP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001484411051 915733885 /nfs/dbraw/zinc/73/38/85/915733885.db2.gz WYTOCIDQMXCSBG-GASCZTMLSA-N 2 0 291.439 1.295 10 30 CDEERP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001484511993 915835025 /nfs/dbraw/zinc/83/50/25/915835025.db2.gz NMEKKJSRJXBKSQ-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001484663445 916011942 /nfs/dbraw/zinc/01/19/42/916011942.db2.gz UOBVOEHAHCVKSZ-GASCZTMLSA-N 2 0 291.439 1.511 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)Cn2cncc2C)CC1 ZINC001484918076 916273157 /nfs/dbraw/zinc/27/31/57/916273157.db2.gz HZFOLBQSEXQPQV-UHFFFAOYSA-N 2 0 288.395 1.186 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)CCC[NH+]1CCCC1 ZINC001139172076 936605214 /nfs/dbraw/zinc/60/52/14/936605214.db2.gz JZLIIKYUXOOTAG-UHFFFAOYSA-N 2 0 253.390 1.049 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001486092863 920692018 /nfs/dbraw/zinc/69/20/18/920692018.db2.gz IEZPKLLFNVROCU-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001568338954 1169254694 /nfs/dbraw/zinc/25/46/94/1169254694.db2.gz KSMPPCAGYXFNLN-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001491024840 936843904 /nfs/dbraw/zinc/84/39/04/936843904.db2.gz PBQNORLSCLSBIJ-QLFBSQMISA-N 2 0 277.412 1.121 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001488899136 926739187 /nfs/dbraw/zinc/73/91/87/926739187.db2.gz WKNGUMLEWJRTDK-RRFJBIMHSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001488967125 926763778 /nfs/dbraw/zinc/76/37/78/926763778.db2.gz BJUKOEPDRSGHAP-JKSUJKDBSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001489333069 926874479 /nfs/dbraw/zinc/87/44/79/926874479.db2.gz IPNZTGXAARVVNZ-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001490665827 927277479 /nfs/dbraw/zinc/27/74/79/927277479.db2.gz VMKZGNWTAPYQSA-MRVWCRGKSA-N 2 0 299.846 1.564 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001275116493 931668845 /nfs/dbraw/zinc/66/88/45/931668845.db2.gz YLSFVNQWKCBYOO-HNNXBMFYSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001275136171 931675661 /nfs/dbraw/zinc/67/56/61/931675661.db2.gz SCXKNDBCRQFBQD-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001276462412 939763573 /nfs/dbraw/zinc/76/35/73/939763573.db2.gz YQAZTBRNFQGYOY-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001276590012 940392911 /nfs/dbraw/zinc/39/29/11/940392911.db2.gz UOARHFWEFQUTBI-JKSUJKDBSA-N 2 0 291.439 1.389 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001276611879 940433733 /nfs/dbraw/zinc/43/37/33/940433733.db2.gz LNLUIHXYUNQCSY-CVEARBPZSA-N 2 0 293.455 1.777 10 30 CDEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001277385506 942467726 /nfs/dbraw/zinc/46/77/26/942467726.db2.gz PUFWWPHIQKAJQV-MRXNPFEDSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001280755148 942483814 /nfs/dbraw/zinc/48/38/14/942483814.db2.gz CMSMFTVQNPTUPQ-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001281489316 942584561 /nfs/dbraw/zinc/58/45/61/942584561.db2.gz DEQNLOUXRGXKKC-OAHLLOKOSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001281663257 942605092 /nfs/dbraw/zinc/60/50/92/942605092.db2.gz BRMYCSIZJHKYMR-KGLIPLIRSA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001281956967 942637769 /nfs/dbraw/zinc/63/77/69/942637769.db2.gz NRDZHRDMMREPNQ-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001316631937 943136004 /nfs/dbraw/zinc/13/60/04/943136004.db2.gz BESNLSWWXKCWRE-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001263838168 943996859 /nfs/dbraw/zinc/99/68/59/943996859.db2.gz IHVZEQUQZBMULF-GASCZTMLSA-N 2 0 291.439 1.675 10 30 CDEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001264127608 944083799 /nfs/dbraw/zinc/08/37/99/944083799.db2.gz IYPYGHGHQUCVAB-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001264172642 944092528 /nfs/dbraw/zinc/09/25/28/944092528.db2.gz KMGZGCFYZBGUTK-ILXRZTDVSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001265365522 944361206 /nfs/dbraw/zinc/36/12/06/944361206.db2.gz AQQCPVHOQVNPMB-CABCVRRESA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[N@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001265591350 944440169 /nfs/dbraw/zinc/44/01/69/944440169.db2.gz SPJYWOGYAJIPTJ-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001266020245 944636070 /nfs/dbraw/zinc/63/60/70/944636070.db2.gz FYEOFCZJGJFVBY-CVEARBPZSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001479338751 971301172 /nfs/dbraw/zinc/30/11/72/971301172.db2.gz ZKKJDYHGRRSJDT-MELADBBJSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001278410690 947757437 /nfs/dbraw/zinc/75/74/37/947757437.db2.gz PFAIWJQWYKWFDQ-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001479828913 971439919 /nfs/dbraw/zinc/43/99/19/971439919.db2.gz GSQYGLIDQAQUCL-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH+](C)CCN(C(=O)CC[N@@H+](C)CC)C(C)C ZINC001278926288 948264831 /nfs/dbraw/zinc/26/48/31/948264831.db2.gz GLJVNRDWHKOPCT-UHFFFAOYSA-N 2 0 281.444 1.520 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480486152 971750855 /nfs/dbraw/zinc/75/08/55/971750855.db2.gz JNKTVBFMEIOUME-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001480660255 971827404 /nfs/dbraw/zinc/82/74/04/971827404.db2.gz CZMTUWGXTPRROS-JYJNAYRXSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2ccnc2C)C1 ZINC001325465021 953915418 /nfs/dbraw/zinc/91/54/18/953915418.db2.gz DTJCARFACPZZFC-UKRRQHHQSA-N 2 0 290.411 1.594 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCC1 ZINC001326928087 954622197 /nfs/dbraw/zinc/62/21/97/954622197.db2.gz IVRQNALDPGEAAC-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001327276670 954808057 /nfs/dbraw/zinc/80/80/57/954808057.db2.gz DSCKZQWZHUKLBB-HZPDHXFCSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001327494071 954904381 /nfs/dbraw/zinc/90/43/81/954904381.db2.gz WHHBLMIWFHUJIR-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001421947647 955667291 /nfs/dbraw/zinc/66/72/91/955667291.db2.gz VKDBCNGUGHOXCV-DGCLKSJQSA-N 2 0 287.835 1.517 10 30 CDEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001329279607 955794158 /nfs/dbraw/zinc/79/41/58/955794158.db2.gz ZJXFLNKQVFAOPU-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001493978802 972151294 /nfs/dbraw/zinc/15/12/94/972151294.db2.gz UFEOIIJKUYMPIN-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001330046487 956250556 /nfs/dbraw/zinc/25/05/56/956250556.db2.gz HCQJVPPDHYSALD-TZMCWYRMSA-N 2 0 267.417 1.195 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001317015816 957204000 /nfs/dbraw/zinc/20/40/00/957204000.db2.gz BINDNBPZUIREKR-HRCADAONSA-N 2 0 291.439 1.224 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001317046105 957226733 /nfs/dbraw/zinc/22/67/33/957226733.db2.gz VGKCJXGOLQMAKW-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001331898294 957322001 /nfs/dbraw/zinc/32/20/01/957322001.db2.gz VPHZJNAWUDAWDQ-DZGCQCFKSA-N 2 0 277.412 1.073 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317656168 957625835 /nfs/dbraw/zinc/62/58/35/957625835.db2.gz VSAADDJBZOBZPL-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317790227 957666380 /nfs/dbraw/zinc/66/63/80/957666380.db2.gz UDRCTNOANJAJLI-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001318155162 957947232 /nfs/dbraw/zinc/94/72/32/957947232.db2.gz PHHTWXGEVNKLQX-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001333153808 958115213 /nfs/dbraw/zinc/11/52/13/958115213.db2.gz OMRNMLGWXTZOOK-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001318560963 958173045 /nfs/dbraw/zinc/17/30/45/958173045.db2.gz FDHGSNTUQKTQEB-KKUMJFAQSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001318606619 958196126 /nfs/dbraw/zinc/19/61/26/958196126.db2.gz MEZUYVGOMMKQMT-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001318830503 958275880 /nfs/dbraw/zinc/27/58/80/958275880.db2.gz GYXHWOMPLGEJAG-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@H+](C)C1CCC1 ZINC001319617410 958654977 /nfs/dbraw/zinc/65/49/77/958654977.db2.gz BLHNMNNTUSXTFD-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001320147121 958968317 /nfs/dbraw/zinc/96/83/17/958968317.db2.gz NSJRJLVEDRYWRJ-HIFRSBDPSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001495160928 972430226 /nfs/dbraw/zinc/43/02/26/972430226.db2.gz OPLJNSXQCKTFGL-HNNXBMFYSA-N 2 0 291.439 1.511 10 30 CDEERP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001322167877 960117416 /nfs/dbraw/zinc/11/74/16/960117416.db2.gz HLVSPQYILNUEIK-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[C@H](CO)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001560831940 961015048 /nfs/dbraw/zinc/01/50/48/961015048.db2.gz WTCBETHRAAHSFI-AQFXKWCLSA-N 2 0 296.455 1.937 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001340982979 963221537 /nfs/dbraw/zinc/22/15/37/963221537.db2.gz IXTNAUQHSVHHKH-ZBFHGGJFSA-N 2 0 279.428 1.662 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2C[C@H]([NH3+])C23CCC3)CCC[NH2+]1 ZINC001341555591 963461471 /nfs/dbraw/zinc/46/14/71/963461471.db2.gz WADMAJDVZQYWOA-YWPYICTPSA-N 2 0 263.385 1.071 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001344081524 964228353 /nfs/dbraw/zinc/22/83/53/964228353.db2.gz MAQVFTMIUYQPTM-LSDHHAIUSA-N 2 0 297.443 1.239 10 30 CDEERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC001349821922 966485827 /nfs/dbraw/zinc/48/58/27/966485827.db2.gz BLRHIFVXQWIPIM-ZIAGYGMSSA-N 2 0 280.416 1.246 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480277068 967259258 /nfs/dbraw/zinc/25/92/58/967259258.db2.gz RGPMGKFLGWXJBP-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480516870 968058837 /nfs/dbraw/zinc/05/88/37/968058837.db2.gz ZXWUOZUWQJVBPE-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480516869 968059644 /nfs/dbraw/zinc/05/96/44/968059644.db2.gz ZXWUOZUWQJVBPE-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(CC#N)cc1 ZINC000849044842 969429921 /nfs/dbraw/zinc/42/99/21/969429921.db2.gz HVIVBFUABHLMQP-INIZCTEOSA-N 2 0 299.422 1.851 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001495560391 972538172 /nfs/dbraw/zinc/53/81/72/972538172.db2.gz RIYWJOJKWUAYDM-QLFBSQMISA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001495682763 972593101 /nfs/dbraw/zinc/59/31/01/972593101.db2.gz GMCOTIDSUJOUSC-GDBMZVCRSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496297925 972878972 /nfs/dbraw/zinc/87/89/72/972878972.db2.gz XXTZLLJKGQNPFZ-ZIAGYGMSSA-N 2 0 267.417 1.245 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001501720944 974631121 /nfs/dbraw/zinc/63/11/21/974631121.db2.gz UFGSNGFXYFDSOK-RBSFLKMASA-N 2 0 279.428 1.389 10 30 CDEERP C=C(Cl)CN(C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001502396690 974733025 /nfs/dbraw/zinc/73/30/25/974733025.db2.gz BANJZJFLCKICQV-UHFFFAOYSA-N 2 0 287.835 1.615 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]1C ZINC001502747402 974774864 /nfs/dbraw/zinc/77/48/64/974774864.db2.gz BNDLTOKJRZZJSX-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@H+]1C[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001506741397 975214157 /nfs/dbraw/zinc/21/41/57/975214157.db2.gz GIFWZIZLCLHRHS-KBPBESRZSA-N 2 0 299.434 1.679 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001506936899 975266484 /nfs/dbraw/zinc/26/64/84/975266484.db2.gz WUSMSEURWYBVQM-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001507011858 975294506 /nfs/dbraw/zinc/29/45/06/975294506.db2.gz OJMDJPWDLKSGRY-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001507291101 975384482 /nfs/dbraw/zinc/38/44/82/975384482.db2.gz SIDAKKSETAQOQZ-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001507327261 975417614 /nfs/dbraw/zinc/41/76/14/975417614.db2.gz IRFKUMRYLDORFH-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001507427192 975466201 /nfs/dbraw/zinc/46/62/01/975466201.db2.gz IXHWPDDCDXEEOI-UONOGXRCSA-N 2 0 299.846 1.709 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001379579892 975932687 /nfs/dbraw/zinc/93/26/87/975932687.db2.gz AKLWJOVFMLMRFJ-OLZOCXBDSA-N 2 0 287.835 1.658 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401876355 975968201 /nfs/dbraw/zinc/96/82/01/975968201.db2.gz SXVPOHOPVLYKJX-GXTWGEPZSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001394668620 978224930 /nfs/dbraw/zinc/22/49/30/978224930.db2.gz JCVHBIRTLFIERM-VXGBXAGGSA-N 2 0 273.808 1.270 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001674554522 1173963520 /nfs/dbraw/zinc/96/35/20/1173963520.db2.gz JITRJUZQFJLYTP-JXQTWKCFSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001676222572 1174193412 /nfs/dbraw/zinc/19/34/12/1174193412.db2.gz UPGPBEIQKBKKKZ-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001570197972 1170110495 /nfs/dbraw/zinc/11/04/95/1170110495.db2.gz YHBYNQZRJHTJOU-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001571543292 1170471470 /nfs/dbraw/zinc/47/14/70/1170471470.db2.gz ZUXBLBHNQRQLJE-GDBMZVCRSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001571700225 1170527210 /nfs/dbraw/zinc/52/72/10/1170527210.db2.gz VFOVYIYSBBTQII-INIZCTEOSA-N 2 0 291.439 1.653 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)CCC ZINC001656106055 1171769278 /nfs/dbraw/zinc/76/92/78/1171769278.db2.gz QVRPEQNYGFEGAF-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000651706483 398155971 /nfs/dbraw/zinc/15/59/71/398155971.db2.gz CBTALJXHVIVTDE-OAGGEKHMSA-N 2 0 265.445 1.957 10 30 CDEERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440679 342906924 /nfs/dbraw/zinc/90/69/24/342906924.db2.gz HSFYJHPGGYKILR-OLZOCXBDSA-N 2 0 268.405 1.244 10 30 CDEERP CSC1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CC[NH+](C)CC1 ZINC000600741903 342246917 /nfs/dbraw/zinc/24/69/17/342246917.db2.gz RQHUHOOJKPKALI-CYBMUJFWSA-N 2 0 297.468 1.458 10 30 CDEERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000595943075 343204432 /nfs/dbraw/zinc/20/44/32/343204432.db2.gz IGURPRXXMUJOLW-LSDHHAIUSA-N 2 0 294.443 1.634 10 30 CDEERP C=CCN1CC[C@@H]([N@@H+](C)CC2CC[NH+](CC)CC2)C1=O ZINC001659013631 1172089225 /nfs/dbraw/zinc/08/92/25/1172089225.db2.gz AFCGUBAADQRKIA-OAHLLOKOSA-N 2 0 279.428 1.437 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001661510522 1172399617 /nfs/dbraw/zinc/39/96/17/1172399617.db2.gz CXCHCMCYUCBKDZ-RBSFLKMASA-N 2 0 277.412 1.121 10 30 CDEERP C[C@@H](CCC#N)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000574162298 371700030 /nfs/dbraw/zinc/70/00/30/371700030.db2.gz GHAKUNGNLVMUES-PMRDEQMMSA-N 2 0 290.455 1.921 10 30 CDEERP C#CC[NH+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001661723868 1172436548 /nfs/dbraw/zinc/43/65/48/1172436548.db2.gz RHQYSUIKDXCYGD-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001661807207 1172449749 /nfs/dbraw/zinc/44/97/49/1172449749.db2.gz AXMRFRKXPBYABX-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC([NH2+]CC3CC3)CC2)CCC[NH2+]1 ZINC000662420965 412996164 /nfs/dbraw/zinc/99/61/64/412996164.db2.gz FHBIKJRKLHHQLP-QGZVFWFLSA-N 2 0 291.439 1.675 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@H+](C)C2)CC1 ZINC000664019391 413025122 /nfs/dbraw/zinc/02/51/22/413025122.db2.gz JNNBAJCDGRFVHP-HNNXBMFYSA-N 2 0 294.443 1.372 10 30 CDEERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCCC#N)CC1 ZINC000071892878 390462942 /nfs/dbraw/zinc/46/29/42/390462942.db2.gz SWIBAIYFXLUOPS-MRXNPFEDSA-N 2 0 278.444 1.782 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001663593061 1172732918 /nfs/dbraw/zinc/73/29/18/1172732918.db2.gz QTOWJPRWOIWIPR-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[C@]1(C(=O)NCC[N@H+]2CC[C@H](C)C2)CCC[NH2+]1 ZINC000662746677 413421021 /nfs/dbraw/zinc/42/10/21/413421021.db2.gz QQWGKVWRMUWAHT-DZGCQCFKSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)CCC[NH2+]1 ZINC000662776067 413481855 /nfs/dbraw/zinc/48/18/55/413481855.db2.gz UGSHGLWSONGVBR-KCQAQPDRSA-N 2 0 265.401 1.271 10 30 CDEERP C=CC[C@@]1(C(=O)NCc2ccc(C[NH3+])cc2)CCC[NH2+]1 ZINC000662821507 413545745 /nfs/dbraw/zinc/54/57/45/413545745.db2.gz GLHRCJDEAZLLTP-INIZCTEOSA-N 2 0 273.380 1.460 10 30 CDEERP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295148 414619723 /nfs/dbraw/zinc/61/97/23/414619723.db2.gz FNZCCYVERMHKRT-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP CCCN[C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190767 176068642 /nfs/dbraw/zinc/06/86/42/176068642.db2.gz RMBFETSCPHMTBR-HOTGVXAUSA-N 2 0 280.460 1.932 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001666569071 1173154005 /nfs/dbraw/zinc/15/40/05/1173154005.db2.gz ZPTMMWDRKVFXOL-OAHLLOKOSA-N 2 0 293.455 1.780 10 30 CDEERP C[C@@H]([NH2+]CC#CC[NH2+][C@@H](C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000341904807 263365316 /nfs/dbraw/zinc/36/53/16/263365316.db2.gz DPBAGNZHFYPFOX-FZKCQIBNSA-N 2 0 280.412 1.019 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001667504031 1173277004 /nfs/dbraw/zinc/27/70/04/1173277004.db2.gz ZLUQVOZCRZOPKP-HNNXBMFYSA-N 2 0 281.444 1.635 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]C/C=C\Cl ZINC001668454769 1173414537 /nfs/dbraw/zinc/41/45/37/1173414537.db2.gz COKBZURUNIOBFS-QPBFKRLHSA-N 2 0 297.830 1.275 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001669980499 1173638989 /nfs/dbraw/zinc/63/89/89/1173638989.db2.gz KIHQSNJAXHGXBG-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001672326511 1173766434 /nfs/dbraw/zinc/76/64/34/1173766434.db2.gz CQYKQWNVUJBRAS-HOTGVXAUSA-N 2 0 295.471 1.979 10 30 CDEERP C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262502109 330017978 /nfs/dbraw/zinc/01/79/78/330017978.db2.gz KSQOMBFSKYASJQ-TZMCWYRMSA-N 2 0 288.395 1.509 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CCCC[N@@H+]1CC)N[C@@H]1C[C@@H]1C ZINC000262776473 330030937 /nfs/dbraw/zinc/03/09/37/330030937.db2.gz KBKRREGYTRHDRD-MELADBBJSA-N 2 0 266.433 1.824 10 30 CDEERP CC[NH+]=C(NC1CCC1)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000262816028 330033721 /nfs/dbraw/zinc/03/37/21/330033721.db2.gz WQWOPLOAQYDNOZ-CQSZACIVSA-N 2 0 266.433 1.921 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CCC)[NH+](C)C)CC1 ZINC000153116091 334558369 /nfs/dbraw/zinc/55/83/69/334558369.db2.gz JRPJIQCDVJAGEU-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267280522 1159232353 /nfs/dbraw/zinc/23/23/53/1159232353.db2.gz UEDNBIGPAGKMCG-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001700317480 1176847593 /nfs/dbraw/zinc/84/75/93/1176847593.db2.gz IFTIZRFZFYTJNW-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001482570896 1160416570 /nfs/dbraw/zinc/41/65/70/1160416570.db2.gz HDIOOBKLBFRQCU-ZDUSSCGKSA-N 2 0 289.851 1.810 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001482692186 1160626346 /nfs/dbraw/zinc/62/63/46/1160626346.db2.gz GNIUVBIELLDXAB-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001713241618 1178448031 /nfs/dbraw/zinc/44/80/31/1178448031.db2.gz IJBIILQFRWTXAW-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001716877503 1180450745 /nfs/dbraw/zinc/45/07/45/1180450745.db2.gz ATHSSKHMHJBOGL-INIZCTEOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001725137319 1181879815 /nfs/dbraw/zinc/87/98/15/1181879815.db2.gz QKRIHKGUYCNICS-UHFFFAOYSA-N 2 0 281.444 1.872 10 30 CDEERP COc1ccc(C#CC[NH3+])cc1C[NH+]1CCC(OC)CC1 ZINC000049609082 523513970 /nfs/dbraw/zinc/51/39/70/523513970.db2.gz AAAZWBABZMEZCU-UHFFFAOYSA-N 2 0 288.391 1.616 10 30 CDEERP C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000049189228 524591052 /nfs/dbraw/zinc/59/10/52/524591052.db2.gz PJWXPOQCPYNTIH-LBPRGKRZSA-N 2 0 291.420 1.272 10 30 CDEERP [NH3+]CC#Cc1cc(C[N@@H+]2CCC[C@@H](CO)C2)ccc1F ZINC000049608337 527147362 /nfs/dbraw/zinc/14/73/62/527147362.db2.gz QKZZGPQQJVTIEQ-CQSZACIVSA-N 2 0 276.355 1.340 10 30 CDEERP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCO1 ZINC000329660810 538608898 /nfs/dbraw/zinc/60/88/98/538608898.db2.gz IJFYXAAOHDFBON-WFASDCNBSA-N 2 0 295.427 1.727 10 30 CDEERP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001689801811 1175261940 /nfs/dbraw/zinc/26/19/40/1175261940.db2.gz CEQRPEMQBYRARJ-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001689908919 1175301305 /nfs/dbraw/zinc/30/13/05/1175301305.db2.gz IWCIWOCEHGMLAZ-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C[N@@H+]1C[C@@H]2CN(C[C@@H](O)CC3(C#N)CCC3)C[C@]2(C)C1 ZINC000933733428 617599327 /nfs/dbraw/zinc/59/93/27/617599327.db2.gz SNOUTCYNFXDIFE-ILXRZTDVSA-N 2 0 277.412 1.315 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000900219183 622811763 /nfs/dbraw/zinc/81/17/63/622811763.db2.gz SFQHEWWTRKOKIQ-GJZGRUSLSA-N 2 0 295.471 1.979 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000900352687 622900727 /nfs/dbraw/zinc/90/07/27/622900727.db2.gz IAASODYPALUVQD-OFQRWUPVSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000900344075 622918697 /nfs/dbraw/zinc/91/86/97/622918697.db2.gz HJXVSCZNPNLGQJ-ZFWWWQNUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCN(C)Cc2ccccc21 ZINC000900571674 623245918 /nfs/dbraw/zinc/24/59/18/623245918.db2.gz HTGBDYBQAKOBGV-UHFFFAOYSA-N 2 0 287.407 1.973 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000900824979 623532576 /nfs/dbraw/zinc/53/25/76/623532576.db2.gz QHUYIVVYUYRLHS-KGLIPLIRSA-N 2 0 267.417 1.435 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000908361409 628158986 /nfs/dbraw/zinc/15/89/86/628158986.db2.gz BBWZKHZKYKLYDU-OAHLLOKOSA-N 2 0 265.401 1.049 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1[C@H](C)CCC[C@@H]1CC[NH+](C)C ZINC000912650014 630127459 /nfs/dbraw/zinc/12/74/59/630127459.db2.gz HBYCVAXYCOITHK-HUUCEWRRSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001671342726 1158639363 /nfs/dbraw/zinc/63/93/63/1158639363.db2.gz RVHNAUWAHPIWFI-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001691146026 1158932493 /nfs/dbraw/zinc/93/24/93/1158932493.db2.gz LMPZRBPENLBSMO-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001691114382 1158916594 /nfs/dbraw/zinc/91/65/94/1158916594.db2.gz HXEXYORGSSNPMA-ZNMIVQPWSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001268716953 1160008280 /nfs/dbraw/zinc/00/82/80/1160008280.db2.gz OJYREOFSOKTBGD-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001483355511 1160911606 /nfs/dbraw/zinc/91/16/06/1160911606.db2.gz DHKFSVFZLAJIBR-CYBMUJFWSA-N 2 0 265.401 1.237 10 30 CDEERP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000867962736 1164888906 /nfs/dbraw/zinc/88/89/06/1164888906.db2.gz AQJMULPTIBDOMA-GOEBONIOSA-N 2 0 298.390 1.003 10 30 CDEERP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001565971460 1168207952 /nfs/dbraw/zinc/20/79/52/1168207952.db2.gz ACBWJQXMIBYRHZ-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566910509 1168462819 /nfs/dbraw/zinc/46/28/19/1168462819.db2.gz UUJWLSGOOXETQI-GJZGRUSLSA-N 2 0 279.428 1.034 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001567334787 1168689301 /nfs/dbraw/zinc/68/93/01/1168689301.db2.gz ATOVIPYSILFBTQ-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001567711437 1168929382 /nfs/dbraw/zinc/92/93/82/1168929382.db2.gz BIGCJCJRXWXVCY-HNNXBMFYSA-N 2 0 291.439 1.487 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001568453540 1169296484 /nfs/dbraw/zinc/29/64/84/1169296484.db2.gz UJBBPVHGYJNJHS-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001568454466 1169296973 /nfs/dbraw/zinc/29/69/73/1169296973.db2.gz LBCRRHHBHLOCPP-HNNXBMFYSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001568751095 1169462438 /nfs/dbraw/zinc/46/24/38/1169462438.db2.gz HUCQHUMZLCBSQJ-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001569402934 1169859905 /nfs/dbraw/zinc/85/99/05/1169859905.db2.gz BELWWPQBCNWYNL-UHFFFAOYSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001661814658 1172451338 /nfs/dbraw/zinc/45/13/38/1172451338.db2.gz PCFGOHFPJVLPEG-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001662293438 1172522220 /nfs/dbraw/zinc/52/22/20/1172522220.db2.gz RCYWBEUOJIYDND-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001668884247 1173476579 /nfs/dbraw/zinc/47/65/79/1173476579.db2.gz YVCHKSHYOCYILF-ONEGZZNKSA-N 2 0 277.412 1.310 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001672796816 1173801280 /nfs/dbraw/zinc/80/12/80/1173801280.db2.gz WLSNVJSJSSRMOI-GOEBONIOSA-N 2 0 291.439 1.342 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001672901962 1173808234 /nfs/dbraw/zinc/80/82/34/1173808234.db2.gz OCVMQTFHBGCYDS-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001676757554 1174268124 /nfs/dbraw/zinc/26/81/24/1174268124.db2.gz ZYNTVJRWBXNVEL-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001690092941 1175373465 /nfs/dbraw/zinc/37/34/65/1175373465.db2.gz CNQLIBBFBXMFJR-UONOGXRCSA-N 2 0 285.407 1.433 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001690164689 1175391567 /nfs/dbraw/zinc/39/15/67/1175391567.db2.gz LHRUOZCBWBDOLZ-JKSUJKDBSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001690455976 1175475365 /nfs/dbraw/zinc/47/53/65/1175475365.db2.gz ZUGAVSVLSQJWSY-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001690501095 1175482440 /nfs/dbraw/zinc/48/24/40/1175482440.db2.gz GVLQEMBQHMDVLX-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001690584616 1175511907 /nfs/dbraw/zinc/51/19/07/1175511907.db2.gz PQJHZXJMNBVMEJ-ZBFHGGJFSA-N 2 0 291.439 1.511 10 30 CDEERP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001690811519 1175579317 /nfs/dbraw/zinc/57/93/17/1175579317.db2.gz TXCMIJZRVLGVJO-CABCVRRESA-N 2 0 297.418 1.222 10 30 CDEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCC[NH+](C)C ZINC001692096222 1175676635 /nfs/dbraw/zinc/67/66/35/1175676635.db2.gz CHBNAGXTXBYYKJ-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001698585454 1175855874 /nfs/dbraw/zinc/85/58/74/1175855874.db2.gz DUSLLGXCDDSAEH-MRXNPFEDSA-N 2 0 291.439 1.418 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001698621926 1175876599 /nfs/dbraw/zinc/87/65/99/1175876599.db2.gz YQGPTYQLUGTBDG-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001698770194 1175925877 /nfs/dbraw/zinc/92/58/77/1175925877.db2.gz HQJRODHIHCPQAC-CQSZACIVSA-N 2 0 291.439 1.084 10 30 CDEERP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001698878962 1175975975 /nfs/dbraw/zinc/97/59/75/1175975975.db2.gz LIIYTAQOZLCDRJ-HZPDHXFCSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698947518 1175992623 /nfs/dbraw/zinc/99/26/23/1175992623.db2.gz AQYQBQWCTWSNLA-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001699028348 1176049164 /nfs/dbraw/zinc/04/91/64/1176049164.db2.gz OEOYSKBRAHMXKH-JKSUJKDBSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001699141793 1176110300 /nfs/dbraw/zinc/11/03/00/1176110300.db2.gz KZFQRGDCCFTZFP-STQMWFEESA-N 2 0 278.400 1.649 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001699610013 1176497621 /nfs/dbraw/zinc/49/76/21/1176497621.db2.gz MSPISLPMYGOTOW-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001700081743 1176741326 /nfs/dbraw/zinc/74/13/26/1176741326.db2.gz SYJLJBVUACBOKY-JYJNAYRXSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001700285790 1176832548 /nfs/dbraw/zinc/83/25/48/1176832548.db2.gz FQKMIUOTZYGMEA-CQSZACIVSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001700450846 1176937492 /nfs/dbraw/zinc/93/74/92/1176937492.db2.gz DOOJGAVJTISTLI-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001713408358 1178543348 /nfs/dbraw/zinc/54/33/48/1178543348.db2.gz MRJSUPKWBVXIFZ-RBSFLKMASA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713413823 1178547673 /nfs/dbraw/zinc/54/76/73/1178547673.db2.gz HDCGFKSWMVJPOU-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[N@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713541929 1178635167 /nfs/dbraw/zinc/63/51/67/1178635167.db2.gz PGHQVPKHHGJBCE-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP C=CCC[N@H+](CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713546292 1178637578 /nfs/dbraw/zinc/63/75/78/1178637578.db2.gz GLSMUYACFJBOMS-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713729346 1178727172 /nfs/dbraw/zinc/72/71/72/1178727172.db2.gz WBPAQHFOQJUGEN-BZUAXINKSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713897294 1178828018 /nfs/dbraw/zinc/82/80/18/1178828018.db2.gz JUSHIGLLPZSQIS-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001714014806 1178929051 /nfs/dbraw/zinc/92/90/51/1178929051.db2.gz ZMNHCGWGKKDRNE-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714311015 1179080294 /nfs/dbraw/zinc/08/02/94/1179080294.db2.gz XFMWNFOZZXFXJY-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001714614131 1179269732 /nfs/dbraw/zinc/26/97/32/1179269732.db2.gz IPCIIPSQLISWBF-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001714648824 1179297085 /nfs/dbraw/zinc/29/70/85/1179297085.db2.gz ORYKWNRNVQRRED-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001714890344 1179438521 /nfs/dbraw/zinc/43/85/21/1179438521.db2.gz HRTRYIVQPAKTLR-CVEARBPZSA-N 2 0 293.455 1.826 10 30 CDEERP C=CCC[C@@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCC ZINC001714995317 1179497709 /nfs/dbraw/zinc/49/77/09/1179497709.db2.gz PRWGJDJYCGOXHV-PMPSAXMXSA-N 2 0 293.455 1.968 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001715101394 1179550803 /nfs/dbraw/zinc/55/08/03/1179550803.db2.gz WMCFYHUBLACYOR-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001715391726 1179655394 /nfs/dbraw/zinc/65/53/94/1179655394.db2.gz JCCOIHNVQLTCCF-INIZCTEOSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001715576998 1179722964 /nfs/dbraw/zinc/72/29/64/1179722964.db2.gz NOKCYNUKRNKUDS-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001715909837 1179908373 /nfs/dbraw/zinc/90/83/73/1179908373.db2.gz BTVYRTMJSXGYFM-LLYBFZRZSA-N 2 0 279.428 1.555 10 30 CDEERP C=CC[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001716727463 1180384428 /nfs/dbraw/zinc/38/44/28/1180384428.db2.gz DBQRGEJNXVQGRJ-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001716784125 1180413711 /nfs/dbraw/zinc/41/37/11/1180413711.db2.gz KPSCNLUVRBYWQF-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001716875448 1180450626 /nfs/dbraw/zinc/45/06/26/1180450626.db2.gz RACZHIDQTVVDCK-HOCLYGCPSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001716879912 1180451783 /nfs/dbraw/zinc/45/17/83/1180451783.db2.gz BBOGYQJVDCOPGZ-NVXWUHKLSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001716971689 1180487149 /nfs/dbraw/zinc/48/71/49/1180487149.db2.gz QHPYLEXNKRDHRH-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCC1 ZINC001717152612 1180549691 /nfs/dbraw/zinc/54/96/91/1180549691.db2.gz FAIOSIULTOUSOA-UHFFFAOYSA-N 2 0 289.423 1.124 10 30 CDEERP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001717205542 1180573993 /nfs/dbraw/zinc/57/39/93/1180573993.db2.gz MOXVCHGZXSQLFH-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH2+][C@@H](CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001717516704 1180719756 /nfs/dbraw/zinc/71/97/56/1180719756.db2.gz OCBVJWFCXOTONO-HOTGVXAUSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001717528494 1180722633 /nfs/dbraw/zinc/72/26/33/1180722633.db2.gz ZTOICFPECPBUPS-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001717602206 1180754839 /nfs/dbraw/zinc/75/48/39/1180754839.db2.gz JUMYVUOJPBWPMI-QKDCVEJESA-N 2 0 279.428 1.198 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001717652174 1180776424 /nfs/dbraw/zinc/77/64/24/1180776424.db2.gz HAVCJNJGOGRPGE-VGWMRTNUSA-N 2 0 293.455 1.920 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001717745145 1180823204 /nfs/dbraw/zinc/82/32/04/1180823204.db2.gz PRRLZYFARLPECK-HUUCEWRRSA-N 2 0 279.428 1.319 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001717855861 1180895927 /nfs/dbraw/zinc/89/59/27/1180895927.db2.gz LMZNIDHZCASNSR-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001722925135 1181493984 /nfs/dbraw/zinc/49/39/84/1181493984.db2.gz HFZXGUSDGQSZOL-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001723297722 1181533693 /nfs/dbraw/zinc/53/36/93/1181533693.db2.gz KUPKZQIXGAIMJI-HOTGVXAUSA-N 2 0 291.439 1.367 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001725368028 1181977618 /nfs/dbraw/zinc/97/76/18/1181977618.db2.gz VQEXLAHSWVOASK-WKILWMFISA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001725649393 1182087068 /nfs/dbraw/zinc/08/70/68/1182087068.db2.gz GYZBRGPRGXEEHP-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH+](CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001731338204 1182328023 /nfs/dbraw/zinc/32/80/23/1182328023.db2.gz UPPXSVQJDXJYSF-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001731394125 1182355843 /nfs/dbraw/zinc/35/58/43/1182355843.db2.gz WPVZHXFXWBJUSU-UONOGXRCSA-N 2 0 265.401 1.141 10 30 CDEERP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001731558442 1182448155 /nfs/dbraw/zinc/44/81/55/1182448155.db2.gz KHSIZNXFDQCAKD-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001731694194 1182520311 /nfs/dbraw/zinc/52/03/11/1182520311.db2.gz WUVOIMFGUIMVGU-KBPBESRZSA-N 2 0 279.428 1.674 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001731698475 1182521880 /nfs/dbraw/zinc/52/18/80/1182521880.db2.gz IJPCDZRTQBOKRP-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001731834491 1182616801 /nfs/dbraw/zinc/61/68/01/1182616801.db2.gz QJTVRONZERJCOM-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001731922317 1182679774 /nfs/dbraw/zinc/67/97/74/1182679774.db2.gz PGBQRVAPLRAVDO-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001732125761 1182788103 /nfs/dbraw/zinc/78/81/03/1182788103.db2.gz IIJGDYRAGOJDAA-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001732501700 1182991261 /nfs/dbraw/zinc/99/12/61/1182991261.db2.gz VBDJNVFUYZWOPV-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001733098629 1183289851 /nfs/dbraw/zinc/28/98/51/1183289851.db2.gz FEWRNZHSGDXTIY-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001733262194 1183375664 /nfs/dbraw/zinc/37/56/64/1183375664.db2.gz AOPMYTPBDFFXTC-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001733262195 1183375868 /nfs/dbraw/zinc/37/58/68/1183375868.db2.gz AOPMYTPBDFFXTC-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001733272916 1183378042 /nfs/dbraw/zinc/37/80/42/1183378042.db2.gz WDNNSHIGSBHAFN-MQVJKMGUSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001734429551 1183776183 /nfs/dbraw/zinc/77/61/83/1183776183.db2.gz UDKRKIHZLRTVNC-HUUCEWRRSA-N 2 0 291.439 1.627 10 30 CDEERP CC[C@@H]1CN(C(NC[C@H]2CCC[N@@H+]2C)=[NH+]C)CCS1 ZINC000261782239 755452149 /nfs/dbraw/zinc/45/21/49/755452149.db2.gz FOPPHTMSUKFYHH-CHWSQXEVSA-N 2 0 284.473 1.483 10 30 CDEERP C=C(C)C[NH+]1CCC(N[C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925609176 755868014 /nfs/dbraw/zinc/86/80/14/755868014.db2.gz PUIWXYULEWRGLV-GJZGRUSLSA-N 2 0 263.429 1.886 10 30 CDEERP N#CCc1cccc2c1CC[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923412563 754172739 /nfs/dbraw/zinc/17/27/39/754172739.db2.gz ZWDKBQXEKWIZNQ-MRXNPFEDSA-N 2 0 297.402 1.489 10 30 CDEERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])NC2CC2)C1 ZINC000261872571 754840572 /nfs/dbraw/zinc/84/05/72/754840572.db2.gz PBBSVIMVHBLZOF-LLVKDONJSA-N 2 0 252.406 1.564 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000876867807 754930133 /nfs/dbraw/zinc/93/01/33/754930133.db2.gz MQHFYUOTVFDGSR-GHMZBOCLSA-N 2 0 259.781 1.105 10 30 CDEERP C#Cc1ccc(CNC[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000819340234 755414964 /nfs/dbraw/zinc/41/49/64/755414964.db2.gz UBLJVRMGOZLBEZ-INIZCTEOSA-N 2 0 258.365 1.213 10 30 CDEERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921530768 755845939 /nfs/dbraw/zinc/84/59/39/755845939.db2.gz VBOATSIXWGMEOC-CYBMUJFWSA-N 2 0 292.452 1.735 10 30 CDEERP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000928648849 756074560 /nfs/dbraw/zinc/07/45/60/756074560.db2.gz SFTWZJLDKDHYGQ-AWEZNQCLSA-N 2 0 277.412 1.073 10 30 CDEERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852862077 756440043 /nfs/dbraw/zinc/44/00/43/756440043.db2.gz RXVBRCVIOXIRPA-GJZGRUSLSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925550318 756817774 /nfs/dbraw/zinc/81/77/74/756817774.db2.gz QVRGHBCRFFMXEG-OAHLLOKOSA-N 2 0 263.429 1.901 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000876940003 756860222 /nfs/dbraw/zinc/86/02/22/756860222.db2.gz OAZVGSQXGJRRON-QWRGUYRKSA-N 2 0 271.792 1.247 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000876734044 757463613 /nfs/dbraw/zinc/46/36/13/757463613.db2.gz NXZIQSAQFPOIJK-RYUDHWBXSA-N 2 0 273.808 1.303 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000876884969 758447592 /nfs/dbraw/zinc/44/75/92/758447592.db2.gz IIFOCPKWGAMOIV-AVGNSLFASA-N 2 0 285.819 1.399 10 30 CDEERP C=CCNC(=O)C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702533 758457229 /nfs/dbraw/zinc/45/72/29/758457229.db2.gz OTGCSTAXSOEKNE-UHFFFAOYSA-N 2 0 281.444 1.588 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001542887182 967254261 /nfs/dbraw/zinc/25/42/61/967254261.db2.gz DNTNOAUGAAZGSD-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001566123858 1168241889 /nfs/dbraw/zinc/24/18/89/1168241889.db2.gz YTGNDVMIYDNNAF-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566895955 1168459019 /nfs/dbraw/zinc/45/90/19/1168459019.db2.gz STBSXIOSLHZQAS-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC#Cc1ccccc1 ZINC001567051061 1168532882 /nfs/dbraw/zinc/53/28/82/1168532882.db2.gz MVOZORYLSAHXRC-HNNXBMFYSA-N 2 0 287.407 1.084 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC(C)C)CC1 ZINC001567082622 1168552994 /nfs/dbraw/zinc/55/29/94/1168552994.db2.gz SEPNAQMKGCLXLT-CQSZACIVSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266321905 894379633 /nfs/dbraw/zinc/37/96/33/894379633.db2.gz YXUKXIPPFYMPRE-CYBMUJFWSA-N 2 0 255.406 1.197 10 30 CDEERP C=C(C)C[N@@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001266362907 894574245 /nfs/dbraw/zinc/57/42/45/894574245.db2.gz ZNGVKZVVVUCGAY-UHFFFAOYSA-N 2 0 289.423 1.986 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001266562586 895375894 /nfs/dbraw/zinc/37/58/94/895375894.db2.gz HKADQLQZEZCHER-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001267241538 897296007 /nfs/dbraw/zinc/29/60/07/897296007.db2.gz AUUVSTYXPPRUKB-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001267273197 897433479 /nfs/dbraw/zinc/43/34/79/897433479.db2.gz CEFPHSNKFQTOMC-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001267273000 897436089 /nfs/dbraw/zinc/43/60/89/897436089.db2.gz BODJCAQNWXXIER-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267303718 897533294 /nfs/dbraw/zinc/53/32/94/897533294.db2.gz AHCQHRIVIKCEJV-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001267517059 898204526 /nfs/dbraw/zinc/20/45/26/898204526.db2.gz LWAWNEKBZYLOAE-SJORKVTESA-N 2 0 299.418 1.551 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267578969 898510729 /nfs/dbraw/zinc/51/07/29/898510729.db2.gz ASUQCLUTIUBGFV-UONOGXRCSA-N 2 0 265.401 1.047 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001481072523 898728819 /nfs/dbraw/zinc/72/88/19/898728819.db2.gz YJUWESJVOLLASI-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCC[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001481126602 898940238 /nfs/dbraw/zinc/94/02/38/898940238.db2.gz LIQBMOSMBKVLRG-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267687479 899280828 /nfs/dbraw/zinc/28/08/28/899280828.db2.gz FVWOQRUIEIRJLH-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001268115966 901331290 /nfs/dbraw/zinc/33/12/90/901331290.db2.gz ZBMFYKWETDCLNM-HNNXBMFYSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001282067292 901384047 /nfs/dbraw/zinc/38/40/47/901384047.db2.gz VZUYVOXTTKMXJW-WLYUNCDWSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001268254875 901678995 /nfs/dbraw/zinc/67/89/95/901678995.db2.gz FZTCIYCBMSXVOD-ZDUSSCGKSA-N 2 0 255.406 1.149 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC(C)C)CC1 ZINC001268426047 902042467 /nfs/dbraw/zinc/04/24/67/902042467.db2.gz IYYDIQUBCOLILA-OAHLLOKOSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001481922795 902337173 /nfs/dbraw/zinc/33/71/73/902337173.db2.gz MDGIJWQORVUFQF-UKRRQHHQSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001481946045 902390402 /nfs/dbraw/zinc/39/04/02/902390402.db2.gz HKXRHRHUCSVZRT-YOEHRIQHSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001268833255 903164025 /nfs/dbraw/zinc/16/40/25/903164025.db2.gz JBLMPAGNOGPLJV-AWEZNQCLSA-N 2 0 285.407 1.290 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001269039378 903361480 /nfs/dbraw/zinc/36/14/80/903361480.db2.gz VOQIUVBPWPQAFA-QLFBSQMISA-N 2 0 281.444 1.872 10 30 CDEERP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001269331085 903699917 /nfs/dbraw/zinc/69/99/17/903699917.db2.gz HXWBHVZVMNIMJH-CQSZACIVSA-N 2 0 277.412 1.239 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001269887185 904187267 /nfs/dbraw/zinc/18/72/67/904187267.db2.gz UXTIWGKRYWRHCD-CYBMUJFWSA-N 2 0 265.401 1.047 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1 ZINC001270791969 905042161 /nfs/dbraw/zinc/04/21/61/905042161.db2.gz TZINSWFBQCXVBB-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001271425632 906333672 /nfs/dbraw/zinc/33/36/72/906333672.db2.gz ISBLZMCTZHKYIY-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001280452158 908652091 /nfs/dbraw/zinc/65/20/91/908652091.db2.gz QBAJUUIMOKBZRV-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]21 ZINC001272227909 909313225 /nfs/dbraw/zinc/31/32/25/909313225.db2.gz XBEDDRCSHFIVTI-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC001483165929 909902100 /nfs/dbraw/zinc/90/21/00/909902100.db2.gz WUEOOGHJWJBODA-KGLIPLIRSA-N 2 0 267.417 1.224 10 30 CDEERP C=CCOCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483354688 910966929 /nfs/dbraw/zinc/96/69/29/910966929.db2.gz YMJANDULBKFIAI-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001483936532 915209274 /nfs/dbraw/zinc/20/92/74/915209274.db2.gz OORFEMQQWFDZPC-HZPDHXFCSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484349190 915658006 /nfs/dbraw/zinc/65/80/06/915658006.db2.gz ZESGINZDOHXAMA-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485373763 916906773 /nfs/dbraw/zinc/90/67/73/916906773.db2.gz WHTHUPAWQQEMPG-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001485815915 917666757 /nfs/dbraw/zinc/66/67/57/917666757.db2.gz NUFAAFBXMOJCPU-HZPDHXFCSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001493240195 936621332 /nfs/dbraw/zinc/62/13/32/936621332.db2.gz PDIVGLAYHMJAHH-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001486183744 920788984 /nfs/dbraw/zinc/78/89/84/920788984.db2.gz LNWZONPKQNMAPY-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001486398716 920963344 /nfs/dbraw/zinc/96/33/44/920963344.db2.gz LTNFTLLPGXWXBK-ZDUSSCGKSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001486412164 920985922 /nfs/dbraw/zinc/98/59/22/920985922.db2.gz ZCXUNZLADOXVPE-LSDHHAIUSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001491271591 936888502 /nfs/dbraw/zinc/88/85/02/936888502.db2.gz PALGPVWYVUABIH-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001410145230 925324671 /nfs/dbraw/zinc/32/46/71/925324671.db2.gz JKLHFZRSJYBUIN-ZSOGYDGISA-N 2 0 299.846 1.375 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCO1 ZINC001273277076 925740705 /nfs/dbraw/zinc/74/07/05/925740705.db2.gz PVSFOPDEYSAUEB-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001273841634 926091459 /nfs/dbraw/zinc/09/14/59/926091459.db2.gz VJUMKPHDYUJGAY-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001488915486 926743410 /nfs/dbraw/zinc/74/34/10/926743410.db2.gz CISWDSDBOXTJNE-UONOGXRCSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001488918918 926752480 /nfs/dbraw/zinc/75/24/80/926752480.db2.gz ZDCHGPHFDQDTAM-ARFHVFGLSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001490695475 927305956 /nfs/dbraw/zinc/30/59/56/927305956.db2.gz WYPVDFCHZOXFMN-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC001136626526 931207173 /nfs/dbraw/zinc/20/71/73/931207173.db2.gz CFMYDFBAXSTUSP-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001274287122 931488051 /nfs/dbraw/zinc/48/80/51/931488051.db2.gz NNPZAPODFWIAOD-LZNQSLFOSA-N 2 0 279.428 1.699 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001275659545 931938440 /nfs/dbraw/zinc/93/84/40/931938440.db2.gz XTRQUQIKPPPPCX-OLZOCXBDSA-N 2 0 255.406 1.339 10 30 CDEERP CC#CC[NH+](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001275707686 931970269 /nfs/dbraw/zinc/97/02/69/931970269.db2.gz XSPZYDXCDLRWOR-CQSZACIVSA-N 2 0 267.417 1.178 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001326760246 932573912 /nfs/dbraw/zinc/57/39/12/932573912.db2.gz LVFFGZUVBXNULR-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001329522497 940204437 /nfs/dbraw/zinc/20/44/37/940204437.db2.gz HTTCYBWFJGSONL-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001276867535 941661602 /nfs/dbraw/zinc/66/16/02/941661602.db2.gz OVIAXGJXZDCODN-KGLIPLIRSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001277074984 941916033 /nfs/dbraw/zinc/91/60/33/941916033.db2.gz QCKJRKXCCRABTQ-JYJNAYRXSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001281458368 942579265 /nfs/dbraw/zinc/57/92/65/942579265.db2.gz OQSMOIRHGZPLIH-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C ZINC001282309967 942687732 /nfs/dbraw/zinc/68/77/32/942687732.db2.gz BDFDWRLUKHJGSG-UHFFFAOYSA-N 2 0 267.417 1.036 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001282392091 942703980 /nfs/dbraw/zinc/70/39/80/942703980.db2.gz VAEOQPQOHXTXBB-SOUVJXGZSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001282928929 942780753 /nfs/dbraw/zinc/78/07/53/942780753.db2.gz MVKYRZNIDDODBW-CABCVRRESA-N 2 0 297.443 1.108 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C[NH2+]CC)C2CC2)CC1 ZINC001283555067 942932578 /nfs/dbraw/zinc/93/25/78/942932578.db2.gz BOLVGZMVTHSBES-INIZCTEOSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001284070970 943069667 /nfs/dbraw/zinc/06/96/67/943069667.db2.gz VTKASSJWSVPCOR-GDBMZVCRSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001263815455 943984917 /nfs/dbraw/zinc/98/49/17/943984917.db2.gz YRCRKVGNXUMVMV-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001277924186 944061937 /nfs/dbraw/zinc/06/19/37/944061937.db2.gz BMHTVAFBXDSDIG-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH+]1CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001265200352 944267252 /nfs/dbraw/zinc/26/72/52/944267252.db2.gz PNKVYXHMIGCKOM-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP C#CCC[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001265595099 944441143 /nfs/dbraw/zinc/44/11/43/944441143.db2.gz SCRVYWGIOLEHON-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001265632983 944451281 /nfs/dbraw/zinc/45/12/81/944451281.db2.gz LXUWKEHOISWSKH-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001265684323 944468602 /nfs/dbraw/zinc/46/86/02/944468602.db2.gz TUDHFERKSLFNOT-CQSZACIVSA-N 2 0 276.384 1.499 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001277981650 944471396 /nfs/dbraw/zinc/47/13/96/944471396.db2.gz OBTUBKQRRHNPEA-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001265813416 944518059 /nfs/dbraw/zinc/51/80/59/944518059.db2.gz QLUIMXMXEFQOEB-KKUMJFAQSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001265994872 944622834 /nfs/dbraw/zinc/62/28/34/944622834.db2.gz PEWMZQBIBSJAHF-CVEARBPZSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001479859297 971457483 /nfs/dbraw/zinc/45/74/83/971457483.db2.gz CEFWLPPKVVSVOP-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[N@@H+](C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001278912439 948210760 /nfs/dbraw/zinc/21/07/60/948210760.db2.gz QMBTVUVFNAKEMM-OAHLLOKOSA-N 2 0 281.444 1.519 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001480140991 971598409 /nfs/dbraw/zinc/59/84/09/971598409.db2.gz NGRGVLHNNJHRLT-MGPQQGTHSA-N 2 0 285.407 1.479 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001480260659 971651653 /nfs/dbraw/zinc/65/16/53/971651653.db2.gz BEUYAWZMLGIYML-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001569146269 1169689950 /nfs/dbraw/zinc/68/99/50/1169689950.db2.gz BBNQIGGWVCPDNU-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001324868118 953613911 /nfs/dbraw/zinc/61/39/11/953613911.db2.gz JMFXLIOIVRYPQC-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001326398346 954361692 /nfs/dbraw/zinc/36/16/92/954361692.db2.gz PVEOYQHMLAYKRN-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001327147053 954735952 /nfs/dbraw/zinc/73/59/52/954735952.db2.gz LWZLSSLVVJLBGO-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001297373684 955017203 /nfs/dbraw/zinc/01/72/03/955017203.db2.gz ZJNQPZMWRAAWNZ-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001297985276 955106040 /nfs/dbraw/zinc/10/60/40/955106040.db2.gz ODTDGCCCQUDNOK-UHFFFAOYSA-N 2 0 265.401 1.237 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001491681279 955355077 /nfs/dbraw/zinc/35/50/77/955355077.db2.gz CVHNWLSDQHNUFW-CYBMUJFWSA-N 2 0 253.390 1.143 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001491683756 955356683 /nfs/dbraw/zinc/35/66/83/955356683.db2.gz SWEHPLGPJIMOLC-AWEZNQCLSA-N 2 0 267.417 1.533 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001492044282 955593135 /nfs/dbraw/zinc/59/31/35/955593135.db2.gz TZMCHJYGXDHLST-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn1ccnc1C ZINC001329145852 955717283 /nfs/dbraw/zinc/71/72/83/955717283.db2.gz JYGMJIOWPWNCNF-KBPBESRZSA-N 2 0 290.411 1.478 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001329319617 955820656 /nfs/dbraw/zinc/82/06/56/955820656.db2.gz CHEJYABTKFSSHR-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1CC ZINC001316736703 956256755 /nfs/dbraw/zinc/25/67/55/956256755.db2.gz OXLDDAMNNFTSKY-UONOGXRCSA-N 2 0 279.428 1.483 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001330665967 956552340 /nfs/dbraw/zinc/55/23/40/956552340.db2.gz BWNQOGILCZBBET-FPCVCCKLSA-N 2 0 289.423 1.121 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001330708399 956580845 /nfs/dbraw/zinc/58/08/45/956580845.db2.gz LOTTYIBCCZQNKY-HDJSIYSDSA-N 2 0 267.417 1.387 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001316793407 957025755 /nfs/dbraw/zinc/02/57/55/957025755.db2.gz XAGQPTHHTIQLTB-CABCVRRESA-N 2 0 293.455 1.567 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001424038545 957096059 /nfs/dbraw/zinc/09/60/59/957096059.db2.gz GWSRHWZBOXQLAI-WCQYABFASA-N 2 0 287.835 1.375 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCCC1 ZINC001495943683 957125689 /nfs/dbraw/zinc/12/56/89/957125689.db2.gz JGYSKEAMENSHSL-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001317069590 957243355 /nfs/dbraw/zinc/24/33/55/957243355.db2.gz ROZMIYBFNRSJNX-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001332217115 957480428 /nfs/dbraw/zinc/48/04/28/957480428.db2.gz GJAZOSWHECSGHP-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001332997153 958003639 /nfs/dbraw/zinc/00/36/39/958003639.db2.gz HCEUQAQRPTYYCC-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001318470986 958121184 /nfs/dbraw/zinc/12/11/84/958121184.db2.gz AIPIDJAJSVMUIS-HNNXBMFYSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001319307195 958492454 /nfs/dbraw/zinc/49/24/54/958492454.db2.gz FKKOXBDHRKKUHR-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C=CC[NH+]1CC2(C1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001319407857 958538273 /nfs/dbraw/zinc/53/82/73/958538273.db2.gz OWEZDIFTNUPAES-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001319698167 958692897 /nfs/dbraw/zinc/69/28/97/958692897.db2.gz XCBBCBIPYHFMAM-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001569309620 1169758876 /nfs/dbraw/zinc/75/88/76/1169758876.db2.gz KZJMAMUZRUJTPD-OAHLLOKOSA-N 2 0 291.439 1.675 10 30 CDEERP C=CCO[C@@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC001321239454 959670093 /nfs/dbraw/zinc/67/00/93/959670093.db2.gz LXIINVWUYQWYHK-QGZVFWFLSA-N 2 0 295.471 1.679 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1CC ZINC001569342669 1169773143 /nfs/dbraw/zinc/77/31/43/1169773143.db2.gz JRHZHFGNLNXVPB-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001322244873 960150151 /nfs/dbraw/zinc/15/01/51/960150151.db2.gz QFFPZBFAVBEXEY-CJNGLKHVSA-N 2 0 297.418 1.269 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001323165473 960492734 /nfs/dbraw/zinc/49/27/34/960492734.db2.gz ZZBDLOLXSPJYGF-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001495470127 972512326 /nfs/dbraw/zinc/51/23/26/972512326.db2.gz KOBBZJLZHRSQPB-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001495519594 972526787 /nfs/dbraw/zinc/52/67/87/972526787.db2.gz DZYLKWZTVRFFAB-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001324082149 961158395 /nfs/dbraw/zinc/15/83/95/961158395.db2.gz REGQCOKQNLAKQZ-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001441865413 964756794 /nfs/dbraw/zinc/75/67/94/964756794.db2.gz OGXIXHYFSIBWJQ-STQMWFEESA-N 2 0 287.835 1.708 10 30 CDEERP CC#CCN1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001479963681 966337826 /nfs/dbraw/zinc/33/78/26/966337826.db2.gz QWCNJHHESIAQML-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001542129766 967213530 /nfs/dbraw/zinc/21/35/30/967213530.db2.gz IJTBNVMTEXWXNE-HNNXBMFYSA-N 2 0 293.386 1.662 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001569565913 1169926323 /nfs/dbraw/zinc/92/63/23/1169926323.db2.gz HCCJBKOKYUYFME-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC001356455103 969401940 /nfs/dbraw/zinc/40/19/40/969401940.db2.gz ZJCCPWOMVKILEI-DZGCQCFKSA-N 2 0 265.401 1.191 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001495560597 972538208 /nfs/dbraw/zinc/53/82/08/972538208.db2.gz LNPVTGNNCDQJFP-HUUCEWRRSA-N 2 0 299.434 1.823 10 30 CDEERP C=CC[NH+]1CC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001495976346 972726923 /nfs/dbraw/zinc/72/69/23/972726923.db2.gz GEYCCTHMBVVCPN-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001496238597 972852187 /nfs/dbraw/zinc/85/21/87/972852187.db2.gz MDBKZSZHIRJPAS-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001496358674 972899159 /nfs/dbraw/zinc/89/91/59/972899159.db2.gz CKLBJPMIKJGNIO-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001496532415 972957902 /nfs/dbraw/zinc/95/79/02/972957902.db2.gz AGGYYCVRXXUCFA-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001496603483 972984515 /nfs/dbraw/zinc/98/45/15/972984515.db2.gz SGORHQJWTSABSQ-UONOGXRCSA-N 2 0 267.417 1.245 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001497620698 973435490 /nfs/dbraw/zinc/43/54/90/973435490.db2.gz LTGRGAUIPGFXQI-PLNGDYQASA-N 2 0 282.347 1.152 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001569671357 1169963418 /nfs/dbraw/zinc/96/34/18/1169963418.db2.gz LFAZSSHINUHHDV-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001497953131 973587110 /nfs/dbraw/zinc/58/71/10/973587110.db2.gz QBJYKSSMPHERER-CQSZACIVSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500549422 974449244 /nfs/dbraw/zinc/44/92/44/974449244.db2.gz ANQFGKNCVCPKFB-WBVHZDCISA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)Cc2[nH]cnc2C)C1 ZINC001505532958 974902230 /nfs/dbraw/zinc/90/22/30/974902230.db2.gz YOZFNONTUAYABV-UHFFFAOYSA-N 2 0 276.384 1.321 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001505996392 975077050 /nfs/dbraw/zinc/07/70/50/975077050.db2.gz FVRWGDPFLGQSJA-ZIAGYGMSSA-N 2 0 267.417 1.032 10 30 CDEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507029668 975299906 /nfs/dbraw/zinc/29/99/06/975299906.db2.gz XNTRRQRFKNUIJU-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001507350945 975427896 /nfs/dbraw/zinc/42/78/96/975427896.db2.gz QXGALSUZUKOFTM-UKRRQHHQSA-N 2 0 265.401 1.237 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001507964236 975569921 /nfs/dbraw/zinc/56/99/21/975569921.db2.gz ZCXUNZLADOXVPE-CABCVRRESA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001508039974 975585383 /nfs/dbraw/zinc/58/53/83/975585383.db2.gz VHBBPSVZSFZHAT-KBPBESRZSA-N 2 0 283.460 1.879 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001674154539 1173920866 /nfs/dbraw/zinc/92/08/66/1173920866.db2.gz LZQYKLIVEUKVBK-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001674551520 1173960924 /nfs/dbraw/zinc/96/09/24/1173960924.db2.gz ROYYGNREKNVOMR-UHFFFAOYSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001674734398 1174000759 /nfs/dbraw/zinc/00/07/59/1174000759.db2.gz IUWHDBXGAPZNBN-ZIAGYGMSSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001570719701 1170252162 /nfs/dbraw/zinc/25/21/62/1170252162.db2.gz CTQXJTJJYOMCIF-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001571503794 1170456467 /nfs/dbraw/zinc/45/64/67/1170456467.db2.gz WCKVDZJOFDYGBT-OFQRWUPVSA-N 2 0 279.428 1.626 10 30 CDEERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000591570965 342637404 /nfs/dbraw/zinc/63/74/04/342637404.db2.gz LPTCLXNJLAXKQR-IUODEOHRSA-N 2 0 261.369 1.963 10 30 CDEERP C=CC[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000625700773 342194086 /nfs/dbraw/zinc/19/40/86/342194086.db2.gz LRYVDYBSYNNZKE-CQSZACIVSA-N 2 0 291.439 1.627 10 30 CDEERP C=CC[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000625700772 342194123 /nfs/dbraw/zinc/19/41/23/342194123.db2.gz LRYVDYBSYNNZKE-AWEZNQCLSA-N 2 0 291.439 1.627 10 30 CDEERP CC[NH2+]CC1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594426913 342897047 /nfs/dbraw/zinc/89/70/47/342897047.db2.gz RWNOVAZBGFLWMC-CQSZACIVSA-N 2 0 280.416 1.246 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000594440617 342906974 /nfs/dbraw/zinc/90/69/74/342906974.db2.gz HASNFNCEJCOXGX-OAHLLOKOSA-N 2 0 292.427 1.484 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000594449024 342909246 /nfs/dbraw/zinc/90/92/46/342909246.db2.gz CBVOMYZWGYJCOJ-ZIAGYGMSSA-N 2 0 286.379 1.314 10 30 CDEERP CC#CC[C@@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000641766933 365828892 /nfs/dbraw/zinc/82/88/92/365828892.db2.gz FNAPKTLNNYDAPH-HNNXBMFYSA-N 2 0 284.363 1.440 10 30 CDEERP C#CCC[N@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001660190824 1172173299 /nfs/dbraw/zinc/17/32/99/1172173299.db2.gz UQSDKRJRMLNZJG-UHFFFAOYSA-N 2 0 291.439 1.324 10 30 CDEERP C=CCOCCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639314551 361065913 /nfs/dbraw/zinc/06/59/13/361065913.db2.gz FCRHYKKPRQTZRP-UHFFFAOYSA-N 2 0 270.417 1.404 10 30 CDEERP C=CCC[C@@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000305067429 370839626 /nfs/dbraw/zinc/83/96/26/370839626.db2.gz IFYXMUMBLUOFFI-IAGOWNOFSA-N 2 0 295.471 1.415 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001662219586 1172508805 /nfs/dbraw/zinc/50/88/05/1172508805.db2.gz KOIBOACKYOTPSA-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP CN(CCC#N)C(=O)CC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000378412544 390937795 /nfs/dbraw/zinc/93/77/95/390937795.db2.gz AAEKFONNUNDGRH-UHFFFAOYSA-N 2 0 289.383 1.351 10 30 CDEERP CC1(C)OCC[C@H]1[NH2+]CC#CC[NH2+][C@H]1CCOC1(C)C ZINC000451241012 391646291 /nfs/dbraw/zinc/64/62/91/391646291.db2.gz JJZQBKNZIPFAKX-OKILXGFUSA-N 2 0 280.412 1.304 10 30 CDEERP C=CC[C@@]1(C(=O)N(CCC)CC[NH+](C)C)CCC[NH2+]1 ZINC000662823646 413549730 /nfs/dbraw/zinc/54/97/30/413549730.db2.gz RWYSJUHDJFVJAA-HNNXBMFYSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCC[NH2+]1 ZINC000662835635 413569866 /nfs/dbraw/zinc/56/98/66/413569866.db2.gz QPDQCJPXFXHTHP-YQQAZPJKSA-N 2 0 291.439 1.818 10 30 CDEERP C=CCOc1ccc(C[NH2+]CCN2CC[NH+](C)CC2)cc1 ZINC000037496772 173236026 /nfs/dbraw/zinc/23/60/26/173236026.db2.gz XENPDBHASNKNMY-UHFFFAOYSA-N 2 0 289.423 1.588 10 30 CDEERP CC(C)C[N@H+](CC(N)=O)Cc1sccc1C#CC[NH3+] ZINC000043684244 175093325 /nfs/dbraw/zinc/09/33/25/175093325.db2.gz VJOMZOOCOPLMPD-UHFFFAOYSA-N 2 0 279.409 1.002 10 30 CDEERP C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C#CC[NH3+])C1 ZINC000044560314 175204406 /nfs/dbraw/zinc/20/44/06/175204406.db2.gz VPDNOELEDHJQEM-CQSZACIVSA-N 2 0 285.391 1.068 10 30 CDEERP CCN[C@@](C)(C#N)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045182205 175325444 /nfs/dbraw/zinc/32/54/44/175325444.db2.gz WSPZZFURESPQCV-OAHLLOKOSA-N 2 0 266.433 1.542 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001665964244 1173093735 /nfs/dbraw/zinc/09/37/35/1173093735.db2.gz QWPVPLWRCQUXNH-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001667059938 1173227239 /nfs/dbraw/zinc/22/72/39/1173227239.db2.gz XNTMKFFULWRFNJ-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[N@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@@H]21 ZINC001667693962 1173311819 /nfs/dbraw/zinc/31/18/19/1173311819.db2.gz KQCCZHHVVPHLIS-GJZGRUSLSA-N 2 0 291.439 1.437 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@H]21 ZINC001667693963 1173312069 /nfs/dbraw/zinc/31/20/69/1173312069.db2.gz KQCCZHHVVPHLIS-HUUCEWRRSA-N 2 0 291.439 1.437 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668435923 1173413599 /nfs/dbraw/zinc/41/35/99/1173413599.db2.gz ZMTMRDCSCIABPJ-CHWSQXEVSA-N 2 0 287.835 1.517 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001669207352 1173517113 /nfs/dbraw/zinc/51/71/13/1173517113.db2.gz LYKDYVWOSNAVIF-MOEXGYKKSA-N 2 0 293.455 1.945 10 30 CDEERP C=CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001673021356 1173817260 /nfs/dbraw/zinc/81/72/60/1173817260.db2.gz SUNSVTMXUBIZTK-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001674028761 1173908051 /nfs/dbraw/zinc/90/80/51/1173908051.db2.gz KJLLVZCSNGNFSE-LSDHHAIUSA-N 2 0 293.455 1.423 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001690595818 1175516725 /nfs/dbraw/zinc/51/67/25/1175516725.db2.gz GNYRMWBNBDGDTE-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262477967 330016373 /nfs/dbraw/zinc/01/63/73/330016373.db2.gz QPOOWELWYHQNTM-UONOGXRCSA-N 2 0 282.432 1.142 10 30 CDEERP C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262780147 330031084 /nfs/dbraw/zinc/03/10/84/330031084.db2.gz KSKUGINAGYTPNE-CYBMUJFWSA-N 2 0 294.443 1.083 10 30 CDEERP C=CCCCCCN1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001269831989 1160072111 /nfs/dbraw/zinc/07/21/11/1160072111.db2.gz MHRDVFZKRCAOPN-MRXNPFEDSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001483345977 1160909805 /nfs/dbraw/zinc/90/98/05/1160909805.db2.gz RLIXWTIKPXVWAI-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CCOC1CC[NH+](Cc2ccccc2C#CC[NH3+])CC1 ZINC000049609441 521656534 /nfs/dbraw/zinc/65/65/34/521656534.db2.gz PIBHFHCQBICUHS-UHFFFAOYSA-N 2 0 272.392 1.998 10 30 CDEERP C[N@H+](CCOc1ccc(C#CC[NH3+])cc1)CC1CC1 ZINC000049609428 522905176 /nfs/dbraw/zinc/90/51/76/522905176.db2.gz KXCNFQHETGCQLV-UHFFFAOYSA-N 2 0 258.365 1.717 10 30 CDEERP COc1ccc(C[N@@H+]2CCCC[C@H]2CO)cc1C#CC[NH3+] ZINC000049609784 524026689 /nfs/dbraw/zinc/02/66/89/524026689.db2.gz NXAFKHWBAGNTIH-INIZCTEOSA-N 2 0 288.391 1.352 10 30 CDEERP C[C@@H]1CCC[N@@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608278 524260339 /nfs/dbraw/zinc/26/03/39/524260339.db2.gz GZQOLOFEVLREEC-CQSZACIVSA-N 2 0 258.365 1.860 10 30 CDEERP [NH3+]CC#Cc1cc(C[N@@H+]2CCC[C@H]2CCCO)ccc1F ZINC000052763120 527146893 /nfs/dbraw/zinc/14/68/93/527146893.db2.gz BPDNIXAQJILPPI-INIZCTEOSA-N 2 0 290.382 1.873 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCC[C@H](CO)C2)c(F)c1 ZINC000049608330 527148923 /nfs/dbraw/zinc/14/89/23/527148923.db2.gz WULWEENSFOTXMZ-AWEZNQCLSA-N 2 0 276.355 1.340 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001688946284 1175073967 /nfs/dbraw/zinc/07/39/67/1175073967.db2.gz VYJMKKMYSDDKBZ-JYJNAYRXSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001689337989 1175148196 /nfs/dbraw/zinc/14/81/96/1175148196.db2.gz AGBNYCJHBQSPEX-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925711996 617811293 /nfs/dbraw/zinc/81/12/93/617811293.db2.gz YSCFALVYRQCOBH-IHRRRGAJSA-N 2 0 250.386 1.842 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000900187820 622783605 /nfs/dbraw/zinc/78/36/05/622783605.db2.gz KBFYGBMMNVPAFD-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000903453608 626001282 /nfs/dbraw/zinc/00/12/82/626001282.db2.gz DKWADOKWEUNSAT-KRWDZBQOSA-N 2 0 298.434 1.655 10 30 CDEERP C=CC[C@@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903934048 626153388 /nfs/dbraw/zinc/15/33/88/626153388.db2.gz ZMTXWNFEMMEYKY-CABCVRRESA-N 2 0 289.427 1.991 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000908188861 628060251 /nfs/dbraw/zinc/06/02/51/628060251.db2.gz FNRCJMIJCWNEDS-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001691128429 1158924196 /nfs/dbraw/zinc/92/41/96/1158924196.db2.gz IFVSLGSUYBHMQJ-OKILXGFUSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269172577 1160039578 /nfs/dbraw/zinc/03/95/78/1160039578.db2.gz RLVXSSQVCKLOQX-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001270292965 1160100799 /nfs/dbraw/zinc/10/07/99/1160100799.db2.gz DIIJTSAUKMVFKX-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001271326449 1160321603 /nfs/dbraw/zinc/32/16/03/1160321603.db2.gz OWRAMGATBYQDRG-HOTGVXAUSA-N 2 0 291.439 1.369 10 30 CDEERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC001626999532 1165972160 /nfs/dbraw/zinc/97/21/60/1165972160.db2.gz BNXMXEPQPPNOFQ-ZIAGYGMSSA-N 2 0 292.427 1.211 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568329247 1168108050 /nfs/dbraw/zinc/10/80/50/1168108050.db2.gz UXGFRQQKDFZRCK-RBSFLKMASA-N 2 0 281.444 1.633 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001567107122 1168564690 /nfs/dbraw/zinc/56/46/90/1168564690.db2.gz OGFRXXAABHRYHS-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001567138817 1168591968 /nfs/dbraw/zinc/59/19/68/1168591968.db2.gz OHLZIJQZPYARCJ-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001567337510 1168689704 /nfs/dbraw/zinc/68/97/04/1168689704.db2.gz NCXYIMAPLJZTKY-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001568206309 1169178498 /nfs/dbraw/zinc/17/84/98/1169178498.db2.gz UKXWIRJCQCCCIQ-QWHCGFSZSA-N 2 0 255.406 1.101 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001569305954 1169758000 /nfs/dbraw/zinc/75/80/00/1169758000.db2.gz DPPBBVNTTVKLML-HOTGVXAUSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001569448237 1169883693 /nfs/dbraw/zinc/88/36/93/1169883693.db2.gz LYVMMIHNFWUVLU-CVEARBPZSA-N 2 0 291.439 1.415 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001569567618 1169926807 /nfs/dbraw/zinc/92/68/07/1169926807.db2.gz ZOGWXAACRBBNHH-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001570530695 1170181408 /nfs/dbraw/zinc/18/14/08/1170181408.db2.gz PDFUGBIMQARPIX-QLFBSQMISA-N 2 0 279.428 1.435 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001571493558 1170453711 /nfs/dbraw/zinc/45/37/11/1170453711.db2.gz SINSTBSJJBGEJT-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001650414021 1171042128 /nfs/dbraw/zinc/04/21/28/1171042128.db2.gz XKJLPNNGGJPYSK-NTZNESFSSA-N 2 0 271.792 1.186 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001661792991 1172447388 /nfs/dbraw/zinc/44/73/88/1172447388.db2.gz JYOYVNXPBUMCOD-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001661881036 1172460701 /nfs/dbraw/zinc/46/07/01/1172460701.db2.gz RALBKFHHCUYXPA-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001662686019 1172580942 /nfs/dbraw/zinc/58/09/42/1172580942.db2.gz UWNBAZGSCSNFPA-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001663995260 1172799531 /nfs/dbraw/zinc/79/95/31/1172799531.db2.gz BQWXQNRISZSVDK-AWEZNQCLSA-N 2 0 269.433 1.587 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001664320556 1172840545 /nfs/dbraw/zinc/84/05/45/1172840545.db2.gz CZZSPUBTAAYUFP-CYBMUJFWSA-N 2 0 255.406 1.197 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001665996924 1173099324 /nfs/dbraw/zinc/09/93/24/1173099324.db2.gz ZPHCSSJTERREFQ-NVXWUHKLSA-N 2 0 293.455 1.920 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC=C)C(C)C ZINC001667470366 1173272362 /nfs/dbraw/zinc/27/23/62/1173272362.db2.gz ZWFZVTFNMJZGEV-CVEARBPZSA-N 2 0 291.439 1.391 10 30 CDEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CC)CC1 ZINC001671477285 1173683922 /nfs/dbraw/zinc/68/39/22/1173683922.db2.gz KJJZVOAPOCCPIY-GDBMZVCRSA-N 2 0 291.439 1.273 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001674672184 1173985737 /nfs/dbraw/zinc/98/57/37/1173985737.db2.gz DZZKUMBNUVWXLI-STQMWFEESA-N 2 0 267.417 1.530 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001675776507 1174147896 /nfs/dbraw/zinc/14/78/96/1174147896.db2.gz KPERZTYJVFYDQZ-SHTZXODSSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001692335332 1175739110 /nfs/dbraw/zinc/73/91/10/1175739110.db2.gz JBHPIYZBDKSETQ-UHFFFAOYSA-N 2 0 281.444 1.588 10 30 CDEERP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001692376886 1175756233 /nfs/dbraw/zinc/75/62/33/1175756233.db2.gz TWDPEFQROZSMCJ-UGUYLWEFSA-N 2 0 293.455 1.966 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001698759923 1175921865 /nfs/dbraw/zinc/92/18/65/1175921865.db2.gz IOUURBQIXGCLCQ-ILXRZTDVSA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699134031 1176108128 /nfs/dbraw/zinc/10/81/28/1176108128.db2.gz HGXYSGCPSHGASS-BBRMVZONSA-N 2 0 299.434 1.869 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699181429 1176130844 /nfs/dbraw/zinc/13/08/44/1176130844.db2.gz NNAAAJZNSPAUQB-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001699482730 1176439823 /nfs/dbraw/zinc/43/98/23/1176439823.db2.gz FINBLSCJNHVAKC-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001699485079 1176441133 /nfs/dbraw/zinc/44/11/33/1176441133.db2.gz CDTABGPIIKUFNS-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001699590613 1176489048 /nfs/dbraw/zinc/48/90/48/1176489048.db2.gz TYDRXUIPXHUFSW-HIFRSBDPSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001699695748 1176569607 /nfs/dbraw/zinc/56/96/07/1176569607.db2.gz SVKKLRIRMGWIEV-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001699825810 1176644106 /nfs/dbraw/zinc/64/41/06/1176644106.db2.gz OZSOMNHQVRNVSE-HNNXBMFYSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001699851432 1176655421 /nfs/dbraw/zinc/65/54/21/1176655421.db2.gz HZCIPTPHKNSHOI-QGZVFWFLSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001699962194 1176699051 /nfs/dbraw/zinc/69/90/51/1176699051.db2.gz CKHZRXKHKYTQBO-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001699977461 1176704004 /nfs/dbraw/zinc/70/40/04/1176704004.db2.gz HJTYOVCBMFEVAP-QDMKHBRRSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCCC[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001700107047 1176747799 /nfs/dbraw/zinc/74/77/99/1176747799.db2.gz ZMESCJDHDORCCY-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001700290787 1176835906 /nfs/dbraw/zinc/83/59/06/1176835906.db2.gz DJQIEDJAAMXSJK-AWEZNQCLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001700479165 1176969924 /nfs/dbraw/zinc/96/99/24/1176969924.db2.gz UYCOADSVROASKS-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001700484214 1176975322 /nfs/dbraw/zinc/97/53/22/1176975322.db2.gz YMCYXWBBFXGRIY-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001700520862 1176993415 /nfs/dbraw/zinc/99/34/15/1176993415.db2.gz RADHVOVAULHNID-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001700530408 1176998284 /nfs/dbraw/zinc/99/82/84/1176998284.db2.gz CWXHIBFQUGOVEP-OAHLLOKOSA-N 2 0 277.412 1.076 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001700720679 1177092597 /nfs/dbraw/zinc/09/25/97/1177092597.db2.gz BZYZLVIVSMFBBX-FVQBIDKESA-N 2 0 293.455 1.729 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001700765723 1177122067 /nfs/dbraw/zinc/12/20/67/1177122067.db2.gz BLYXUQUEFOXCEB-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001700905652 1177190461 /nfs/dbraw/zinc/19/04/61/1177190461.db2.gz SZCSUPDQURDZMH-HZPDHXFCSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001713025021 1178312318 /nfs/dbraw/zinc/31/23/18/1178312318.db2.gz PWNNARQKHCLBIZ-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001713117004 1178377498 /nfs/dbraw/zinc/37/74/98/1178377498.db2.gz NUPMWLJPLJRNHX-JKSUJKDBSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001713131912 1178387741 /nfs/dbraw/zinc/38/77/41/1178387741.db2.gz OLQMSNDHRLVSNJ-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001713263609 1178458054 /nfs/dbraw/zinc/45/80/54/1178458054.db2.gz WAWKNFSHXMNQHV-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001713547630 1178638407 /nfs/dbraw/zinc/63/84/07/1178638407.db2.gz DUMBWLRYCDEGJH-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001713837048 1178786334 /nfs/dbraw/zinc/78/63/34/1178786334.db2.gz AYBAYFRCPJBOPU-KKUMJFAQSA-N 2 0 293.455 1.872 10 30 CDEERP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001713851757 1178792186 /nfs/dbraw/zinc/79/21/86/1178792186.db2.gz YLCDGZMSMNMBCI-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001714080124 1178964314 /nfs/dbraw/zinc/96/43/14/1178964314.db2.gz SVACSBPGPKURCS-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001714258131 1179050080 /nfs/dbraw/zinc/05/00/80/1179050080.db2.gz MHSJDUIUZVPQMP-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001714797565 1179402571 /nfs/dbraw/zinc/40/25/71/1179402571.db2.gz LRXXZRILRZATPW-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001715358750 1179642121 /nfs/dbraw/zinc/64/21/21/1179642121.db2.gz GWNJCUJHOPRLHA-CQSZACIVSA-N 2 0 281.444 1.424 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001715448536 1179670106 /nfs/dbraw/zinc/67/01/06/1179670106.db2.gz KSGBUSCSIQZHSV-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001715673043 1179758577 /nfs/dbraw/zinc/75/85/77/1179758577.db2.gz NUZAHKRJJVZMKQ-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)C1CCC1 ZINC001715825690 1179850192 /nfs/dbraw/zinc/85/01/92/1179850192.db2.gz KNDHTBYFIDLGTD-SNAWJCMRSA-N 2 0 265.401 1.309 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001715909838 1179909230 /nfs/dbraw/zinc/90/92/30/1179909230.db2.gz BTVYRTMJSXGYFM-NFAHFFEMSA-N 2 0 279.428 1.555 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716294445 1180146544 /nfs/dbraw/zinc/14/65/44/1180146544.db2.gz WSHUJRHKKFTNRK-FPLPWBNLSA-N 2 0 291.439 1.536 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001716466170 1180225617 /nfs/dbraw/zinc/22/56/17/1180225617.db2.gz VKLKMXXNAPUHOL-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001716632002 1180316381 /nfs/dbraw/zinc/31/63/81/1180316381.db2.gz SIYRBTSGSGYMOE-GJZGRUSLSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCCC[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001716668124 1180352896 /nfs/dbraw/zinc/35/28/96/1180352896.db2.gz OAYGPPRWPROOKJ-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCC1 ZINC001717161867 1180555497 /nfs/dbraw/zinc/55/54/97/1180555497.db2.gz SGYWTDYFZHIJSA-HNNXBMFYSA-N 2 0 277.412 1.287 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001717293005 1180607092 /nfs/dbraw/zinc/60/70/92/1180607092.db2.gz FEZZBZYRHRWSGH-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001717293646 1180607854 /nfs/dbraw/zinc/60/78/54/1180607854.db2.gz POKMVQQBXSMEGX-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001717297752 1180608948 /nfs/dbraw/zinc/60/89/48/1180608948.db2.gz HDVBJPKKVDCMPF-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001717337805 1180621900 /nfs/dbraw/zinc/62/19/00/1180621900.db2.gz ZWLREJUFXARJKZ-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001717374478 1180636313 /nfs/dbraw/zinc/63/63/13/1180636313.db2.gz OSGUCTCKPFJRFK-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001717530136 1180723000 /nfs/dbraw/zinc/72/30/00/1180723000.db2.gz IULWLGMMADAVCS-HOTGVXAUSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001717622558 1180760577 /nfs/dbraw/zinc/76/05/77/1180760577.db2.gz IEQZYQJUTGNVJC-HRCADAONSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001717871853 1180906323 /nfs/dbraw/zinc/90/63/23/1180906323.db2.gz DFRRDVSJKXRPGS-UONOGXRCSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717996195 1180963054 /nfs/dbraw/zinc/96/30/54/1180963054.db2.gz UDUVYNQXMQJAEP-UHFFFAOYSA-N 2 0 265.401 1.093 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001723580010 1181589998 /nfs/dbraw/zinc/58/99/98/1181589998.db2.gz XLPMEMLRVNCPPC-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001724586381 1181699232 /nfs/dbraw/zinc/69/92/32/1181699232.db2.gz GIIWHKLKRZCNIS-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001724659653 1181716094 /nfs/dbraw/zinc/71/60/94/1181716094.db2.gz WLGWCJCABMLRFB-CABCVRRESA-N 2 0 289.423 1.027 10 30 CDEERP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001725167798 1181900447 /nfs/dbraw/zinc/90/04/47/1181900447.db2.gz ZTJKFLSRBBSMCB-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001725197714 1181920069 /nfs/dbraw/zinc/92/00/69/1181920069.db2.gz VDGQUAUUZPGWFW-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001725286275 1181950961 /nfs/dbraw/zinc/95/09/61/1181950961.db2.gz FPBAVMHDFRSQMT-OAHLLOKOSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001725363447 1181975066 /nfs/dbraw/zinc/97/50/66/1181975066.db2.gz DPRJHMQPEONEJH-VGWMRTNUSA-N 2 0 291.439 1.224 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001725599023 1182067748 /nfs/dbraw/zinc/06/77/48/1182067748.db2.gz UKBPZTZPMABPTO-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001725604045 1182069960 /nfs/dbraw/zinc/06/99/60/1182069960.db2.gz HRDUUVOWHTYNHF-ZIAGYGMSSA-N 2 0 265.401 1.237 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001725626289 1182076489 /nfs/dbraw/zinc/07/64/89/1182076489.db2.gz NVVPPDNBTDBMDS-ARFHVFGLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001725649395 1182087060 /nfs/dbraw/zinc/08/70/60/1182087060.db2.gz GYZBRGPRGXEEHP-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001731324245 1182320068 /nfs/dbraw/zinc/32/00/68/1182320068.db2.gz VVXZHMIXRDJRSU-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001731394126 1182357008 /nfs/dbraw/zinc/35/70/08/1182357008.db2.gz WPVZHXFXWBJUSU-ZIAGYGMSSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCCC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001731404036 1182367755 /nfs/dbraw/zinc/36/77/55/1182367755.db2.gz DKTNPOLWGXPOLH-MRXNPFEDSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001731694195 1182520670 /nfs/dbraw/zinc/52/06/70/1182520670.db2.gz WUVOIMFGUIMVGU-KGLIPLIRSA-N 2 0 279.428 1.674 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001732443954 1182970159 /nfs/dbraw/zinc/97/01/59/1182970159.db2.gz VJHOBSMXSMFNBN-KKUMJFAQSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001732458638 1182976782 /nfs/dbraw/zinc/97/67/82/1182976782.db2.gz GDDJMCNJFGNXGU-JKSUJKDBSA-N 2 0 293.455 1.635 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001732502901 1182991325 /nfs/dbraw/zinc/99/13/25/1182991325.db2.gz XKCGNIOGYPGGDB-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001732524426 1182995783 /nfs/dbraw/zinc/99/57/83/1182995783.db2.gz BUEYWTCIJFUHKL-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001732524929 1182996048 /nfs/dbraw/zinc/99/60/48/1182996048.db2.gz OSMNGPJOPZNLJL-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001732559503 1183010100 /nfs/dbraw/zinc/01/01/00/1183010100.db2.gz AEPRDQFEXVOYCH-HOTGVXAUSA-N 2 0 293.455 1.470 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001732908303 1183179797 /nfs/dbraw/zinc/17/97/97/1183179797.db2.gz CRNZFDYAEGKXFI-MSNYOWOLSA-N 2 0 289.423 1.289 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732955442 1183202806 /nfs/dbraw/zinc/20/28/06/1183202806.db2.gz MSOQQHGCDMDATP-QLFBSQMISA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001733170387 1183314392 /nfs/dbraw/zinc/31/43/92/1183314392.db2.gz HFXZLRFVUHBKJX-ARFHVFGLSA-N 2 0 293.455 1.777 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733998620 1183608109 /nfs/dbraw/zinc/60/81/09/1183608109.db2.gz ZUZZXDYZNYZDQY-ZIAGYGMSSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001734020723 1183616449 /nfs/dbraw/zinc/61/64/49/1183616449.db2.gz TYWOUKOXYCRGTJ-HNNXBMFYSA-N 2 0 295.471 1.979 10 30 CDEERP CC#CC[NH+](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001734272462 1183709875 /nfs/dbraw/zinc/70/98/75/1183709875.db2.gz QWDLKINRYYFKSP-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]21 ZINC001734451306 1183781734 /nfs/dbraw/zinc/78/17/34/1183781734.db2.gz WPJWCOLVZLSUBJ-BZUAXINKSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCC[NH2+]1 ZINC000852893382 768847423 /nfs/dbraw/zinc/84/74/23/768847423.db2.gz UXDRISHVTOTRDG-CABCVRRESA-N 2 0 263.385 1.039 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000877425534 768881958 /nfs/dbraw/zinc/88/19/58/768881958.db2.gz CTDQMDDSWOQEIR-DGCLKSJQSA-N 2 0 293.798 1.936 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000876777288 768981773 /nfs/dbraw/zinc/98/17/73/768981773.db2.gz PKVRTUPQUUQQQE-CHWSQXEVSA-N 2 0 287.835 1.647 10 30 CDEERP CC[C@](C)(O)CNC(N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)=[NH+]C ZINC000261946950 769644315 /nfs/dbraw/zinc/64/43/15/769644315.db2.gz GDLQERYRFLXWLN-GUTXKFCHSA-N 2 0 284.448 1.041 10 30 CDEERP C#C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CCOCC1 ZINC000827565076 770327520 /nfs/dbraw/zinc/32/75/20/770327520.db2.gz IUCYYWUNJHEVSN-QGZVFWFLSA-N 2 0 276.424 1.879 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000876772508 770637727 /nfs/dbraw/zinc/63/77/27/770637727.db2.gz OKIIAXVESUJSPS-WCFLWFBJSA-N 2 0 287.835 1.645 10 30 CDEERP C#CCCCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000878993947 770853493 /nfs/dbraw/zinc/85/34/93/770853493.db2.gz QQMDYABDYZJBKK-INIZCTEOSA-N 2 0 264.413 1.711 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCC[NH2+]1 ZINC000852871763 770899353 /nfs/dbraw/zinc/89/93/53/770899353.db2.gz WJDBHFBHBOKLBK-OFQRWUPVSA-N 2 0 279.428 1.674 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000876726309 771269269 /nfs/dbraw/zinc/26/92/69/771269269.db2.gz CZZLIDRLUHXPSX-JQWIXIFHSA-N 2 0 291.848 1.010 10 30 CDEERP C#CC[N@H+](C)CCCN[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000926489876 771385488 /nfs/dbraw/zinc/38/54/88/771385488.db2.gz LFHZNADMMUBIQU-HOTGVXAUSA-N 2 0 263.429 1.548 10 30 CDEERP C#CC[C@H](COC)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000862548377 771840539 /nfs/dbraw/zinc/84/05/39/771840539.db2.gz DUOBAALOJLILNW-OAHLLOKOSA-N 2 0 250.386 1.489 10 30 CDEERP C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(OCC#N)cc1 ZINC000863545980 771892565 /nfs/dbraw/zinc/89/25/65/771892565.db2.gz CYHDJTJRVWFNJC-SLEUVZQESA-N 2 0 259.353 1.990 10 30 CDEERP CCC[N@H+](C)CC(C)(C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000854014496 773639587 /nfs/dbraw/zinc/63/95/87/773639587.db2.gz XFMBOGHRSLHMRX-UHFFFAOYSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[C@@H](CCOC)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858335124 773697056 /nfs/dbraw/zinc/69/70/56/773697056.db2.gz VXMAXGQFTIBHHW-KBPBESRZSA-N 2 0 252.402 1.877 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001275038928 1166655384 /nfs/dbraw/zinc/65/53/84/1166655384.db2.gz OJYREOFSOKTBGD-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001278326692 1167405263 /nfs/dbraw/zinc/40/52/63/1167405263.db2.gz SZQLOMAWYFCXJQ-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001566563666 1167984410 /nfs/dbraw/zinc/98/44/10/1167984410.db2.gz CTMSABZMCQTGJR-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567914163 1168072412 /nfs/dbraw/zinc/07/24/12/1168072412.db2.gz AADZTNNCRAUCOM-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[N@H+](CC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001566564184 1168338181 /nfs/dbraw/zinc/33/81/81/1168338181.db2.gz WXZUCSHCYXFQDC-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001483693070 912855227 /nfs/dbraw/zinc/85/52/27/912855227.db2.gz KHKJLZCOYHRUJB-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001567235676 1168632555 /nfs/dbraw/zinc/63/25/55/1168632555.db2.gz OTYWVVHVOVQRJD-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001567237817 1168634571 /nfs/dbraw/zinc/63/45/71/1168634571.db2.gz FLCKTDRGSBVELX-WBVHZDCISA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001567374072 1168717234 /nfs/dbraw/zinc/71/72/34/1168717234.db2.gz QFRPIYCPMBHHRX-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001567379735 1168719300 /nfs/dbraw/zinc/71/93/00/1168719300.db2.gz BDDJULNTFMYVRT-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001266431076 894839799 /nfs/dbraw/zinc/83/97/99/894839799.db2.gz JTDZKJSSSHCASY-OAHLLOKOSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001266468544 894996320 /nfs/dbraw/zinc/99/63/20/894996320.db2.gz SDFWNDIXUAJJJO-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266546833 895304333 /nfs/dbraw/zinc/30/43/33/895304333.db2.gz XUXWQCBNXIRBSQ-LSDHHAIUSA-N 2 0 279.428 1.034 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001266693460 895847223 /nfs/dbraw/zinc/84/72/23/895847223.db2.gz ZZAVKVHSICTANJ-FZKCQIBNSA-N 2 0 289.423 1.263 10 30 CDEERP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266857250 896207527 /nfs/dbraw/zinc/20/75/27/896207527.db2.gz KUWADFXNSBRLGK-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001266867670 896240040 /nfs/dbraw/zinc/24/00/40/896240040.db2.gz NYDUXUHLNUPSOW-HRCADAONSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266888120 896282009 /nfs/dbraw/zinc/28/20/09/896282009.db2.gz BOHRQTPFXBSMQP-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001267332590 897615209 /nfs/dbraw/zinc/61/52/09/897615209.db2.gz GVFSTQFSBFFLGH-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001567588716 1168876709 /nfs/dbraw/zinc/87/67/09/1168876709.db2.gz SHOTUZLCQOYYGR-MRXNPFEDSA-N 2 0 287.407 1.361 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267567426 898388258 /nfs/dbraw/zinc/38/82/58/898388258.db2.gz CEKLNTHEYTYBJR-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267570643 898427104 /nfs/dbraw/zinc/42/71/04/898427104.db2.gz QWWYPHHRGXUYRC-LSDHHAIUSA-N 2 0 279.428 1.034 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001481018826 898506310 /nfs/dbraw/zinc/50/63/10/898506310.db2.gz SHNFVPFAUUYEAM-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267584197 898556254 /nfs/dbraw/zinc/55/62/54/898556254.db2.gz YPFHLRWMYPSSCL-OWCLPIDISA-N 2 0 293.455 1.683 10 30 CDEERP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccnc1 ZINC001481073335 898736719 /nfs/dbraw/zinc/73/67/19/898736719.db2.gz KJAZUGQLMFZPOU-CQSZACIVSA-N 2 0 276.384 1.430 10 30 CDEERP CC#CC[N@H+](C)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001267604167 898787668 /nfs/dbraw/zinc/78/76/68/898787668.db2.gz MZKWZWFDFGYKHV-UHFFFAOYSA-N 2 0 293.455 1.520 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001481154938 898991025 /nfs/dbraw/zinc/99/10/25/898991025.db2.gz OSTWGKPDOYQOBS-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001481250194 899662734 /nfs/dbraw/zinc/66/27/34/899662734.db2.gz OGTCAJQUKALTII-UHFFFAOYSA-N 2 0 284.363 1.328 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)C[N@H+](C)C1CCC1 ZINC001267806419 899775272 /nfs/dbraw/zinc/77/52/72/899775272.db2.gz NQMGKOSIPXSUSA-GFCCVEGCSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)CC[NH+](C)C ZINC001267818576 899807918 /nfs/dbraw/zinc/80/79/18/899807918.db2.gz KDQDIGKJOQPKFT-LLVKDONJSA-N 2 0 261.797 1.175 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001481505206 900957716 /nfs/dbraw/zinc/95/77/16/900957716.db2.gz RAVQGHAYCHTWRK-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001268211307 901577594 /nfs/dbraw/zinc/57/75/94/901577594.db2.gz DTUSZGOMKMVNMG-CQSZACIVSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001268255026 901677846 /nfs/dbraw/zinc/67/78/46/901677846.db2.gz LEHRKXHTTDYFCD-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCCC[NH+]1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001268467427 902217726 /nfs/dbraw/zinc/21/77/26/902217726.db2.gz UEJSJVTWIMKGHJ-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268522651 902502574 /nfs/dbraw/zinc/50/25/74/902502574.db2.gz MLANCYPFIPSETG-NHQLZKDQSA-N 2 0 279.428 1.697 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268662050 902916845 /nfs/dbraw/zinc/91/68/45/902916845.db2.gz VGTCEDAIZOCMCJ-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001269310847 903683997 /nfs/dbraw/zinc/68/39/97/903683997.db2.gz NWKVNZMVIMDTEH-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001270336902 904542493 /nfs/dbraw/zinc/54/24/93/904542493.db2.gz RZQUFGCYJBXIAG-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001270776929 905036139 /nfs/dbraw/zinc/03/61/39/905036139.db2.gz IPOHDRJUBUBNED-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001271510456 906489630 /nfs/dbraw/zinc/48/96/30/906489630.db2.gz WUQZVVILVAZBNU-CABCVRRESA-N 2 0 289.423 1.075 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001567914209 1169064480 /nfs/dbraw/zinc/06/44/80/1169064480.db2.gz BDRJVYCGHRDJMG-LSDHHAIUSA-N 2 0 299.434 1.775 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482877067 908455309 /nfs/dbraw/zinc/45/53/09/908455309.db2.gz NAXKZQJEUSMIGT-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001483347363 910946433 /nfs/dbraw/zinc/94/64/33/910946433.db2.gz JDBOSLCXBPULTA-GFCCVEGCSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483354017 910963246 /nfs/dbraw/zinc/96/32/46/910963246.db2.gz PGKAQJVOSOBREK-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483392553 911044887 /nfs/dbraw/zinc/04/48/87/911044887.db2.gz ABDLPZFJWHKJIJ-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001484513769 915838311 /nfs/dbraw/zinc/83/83/11/915838311.db2.gz UHIPJRDIXYAYTQ-KBPBESRZSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001484571750 915898531 /nfs/dbraw/zinc/89/85/31/915898531.db2.gz HORUUZMOAQGEBB-SHTZXODSSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001484940234 916300459 /nfs/dbraw/zinc/30/04/59/916300459.db2.gz CDMIZADCMJHGBF-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001485323842 916842279 /nfs/dbraw/zinc/84/22/79/916842279.db2.gz VBZBYMPNDMPPGF-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568262151 1169205844 /nfs/dbraw/zinc/20/58/44/1169205844.db2.gz CXDJFFQBBPABIP-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001568274377 1169216369 /nfs/dbraw/zinc/21/63/69/1169216369.db2.gz UUFREGFCWINTGA-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001494119295 920640846 /nfs/dbraw/zinc/64/08/46/920640846.db2.gz JEQHJJWQHBFXGQ-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001273548011 920645834 /nfs/dbraw/zinc/64/58/34/920645834.db2.gz MOXVCHGZXSQLFH-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486181543 920786471 /nfs/dbraw/zinc/78/64/71/920786471.db2.gz UMOHZQSUIATOPN-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001486478636 921054732 /nfs/dbraw/zinc/05/47/32/921054732.db2.gz ZLEPGRJGFBTPKB-UHFFFAOYSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001486483588 921058897 /nfs/dbraw/zinc/05/88/97/921058897.db2.gz LRYHVCHRWWEJJC-UYSNPLJNSA-N 2 0 291.439 1.319 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001568335676 1169251833 /nfs/dbraw/zinc/25/18/33/1169251833.db2.gz XQQUBOFVGADSEC-OAHLLOKOSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001568336199 1169253305 /nfs/dbraw/zinc/25/33/05/1169253305.db2.gz OJEXSMWQLSJDHT-LSDHHAIUSA-N 2 0 281.444 1.326 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001490948433 936834208 /nfs/dbraw/zinc/83/42/08/936834208.db2.gz OQOKKXJGBITJKH-JOCQHMNTSA-N 2 0 287.835 1.708 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001491068807 936850514 /nfs/dbraw/zinc/85/05/14/936850514.db2.gz BGMXUQRXWRJOID-SOUVJXGZSA-N 2 0 291.439 1.674 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001491069102 936850573 /nfs/dbraw/zinc/85/05/73/936850573.db2.gz DIFAHQZQAUUABW-OKILXGFUSA-N 2 0 277.412 1.285 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001491119195 936860989 /nfs/dbraw/zinc/86/09/89/936860989.db2.gz CAJINWZOOKFVLQ-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001491251116 936883601 /nfs/dbraw/zinc/88/36/01/936883601.db2.gz FDVIDUUAELSZKS-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001491251412 936884040 /nfs/dbraw/zinc/88/40/40/936884040.db2.gz PQUCVJIIKMGRGV-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001488805823 926698454 /nfs/dbraw/zinc/69/84/54/926698454.db2.gz WAQTWCHNWFRCSA-OWCLPIDISA-N 2 0 291.439 1.224 10 30 CDEERP C#CCC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001490270758 927070154 /nfs/dbraw/zinc/07/01/54/927070154.db2.gz HHPYHBCPMOUNDW-AWEZNQCLSA-N 2 0 267.417 1.034 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001490665826 927277285 /nfs/dbraw/zinc/27/72/85/927277285.db2.gz VMKZGNWTAPYQSA-BNOWGMLFSA-N 2 0 299.846 1.564 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001275267894 931717410 /nfs/dbraw/zinc/71/74/10/931717410.db2.gz WVYJQLCTOUJSCN-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001275459040 931807123 /nfs/dbraw/zinc/80/71/23/931807123.db2.gz KHYMPHINBKZCEL-AWEZNQCLSA-N 2 0 267.417 1.533 10 30 CDEERP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275835368 932079020 /nfs/dbraw/zinc/07/90/20/932079020.db2.gz LHWLIHJGPWZOIO-RRFJBIMHSA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001326354701 932204132 /nfs/dbraw/zinc/20/41/32/932204132.db2.gz YWMKWLNBRHWJRE-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001276052902 932476553 /nfs/dbraw/zinc/47/65/53/932476553.db2.gz PGYTVXMCOHTEPQ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[C@H](O)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001203536215 939692406 /nfs/dbraw/zinc/69/24/06/939692406.db2.gz IWPMMEJVDORCMY-INIZCTEOSA-N 2 0 290.407 1.491 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568709657 1169441567 /nfs/dbraw/zinc/44/15/67/1169441567.db2.gz CTJBMSSANGFMPR-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001281722500 942612964 /nfs/dbraw/zinc/61/29/64/942612964.db2.gz XFDZHKMRIJTEKG-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001281957665 942637213 /nfs/dbraw/zinc/63/72/13/942637213.db2.gz SZDJXVVKGDOBHU-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001282444510 942715054 /nfs/dbraw/zinc/71/50/54/942715054.db2.gz SDTYWGVKGABLIQ-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001283233314 942863326 /nfs/dbraw/zinc/86/33/26/942863326.db2.gz RXKYCJJUTCXYFO-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001277597978 943089864 /nfs/dbraw/zinc/08/98/64/943089864.db2.gz NFBZJZQUNVDAGD-IIAWOOMASA-N 2 0 293.455 1.824 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001284148302 943090156 /nfs/dbraw/zinc/09/01/56/943090156.db2.gz IUNPCQAFBNYJHO-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001284348389 943153809 /nfs/dbraw/zinc/15/38/09/943153809.db2.gz KCWNIQAIAYZDRX-CYBMUJFWSA-N 2 0 267.417 1.339 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001284618301 943227459 /nfs/dbraw/zinc/22/74/59/943227459.db2.gz KKZCGLFVMMAVFE-AWEZNQCLSA-N 2 0 281.444 1.472 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n1ccnc1CC ZINC001277825494 943717097 /nfs/dbraw/zinc/71/70/97/943717097.db2.gz BSDZHXIEJYGCQR-KBPBESRZSA-N 2 0 290.411 1.466 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001277836407 943763483 /nfs/dbraw/zinc/76/34/83/943763483.db2.gz NNIRQZJXGLAKTG-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001265653523 944458083 /nfs/dbraw/zinc/45/80/83/944458083.db2.gz CAAZVZDXWUVGAY-MRXNPFEDSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265853027 944541474 /nfs/dbraw/zinc/54/14/74/944541474.db2.gz MCYQGQAHBZLJFY-QWHCGFSZSA-N 2 0 255.406 1.243 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001265909821 944569556 /nfs/dbraw/zinc/56/95/56/944569556.db2.gz GLHKFFWWXRHENY-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266029450 944643199 /nfs/dbraw/zinc/64/31/99/944643199.db2.gz QSACELYTGKXQED-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001568851165 1169517584 /nfs/dbraw/zinc/51/75/84/1169517584.db2.gz YLIMDPPSKQOYSA-LQYUOIDQSA-N 2 0 279.428 1.697 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001479493990 971332215 /nfs/dbraw/zinc/33/22/15/971332215.db2.gz DXROMVVXHHSWRM-JKSUJKDBSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001278437263 948030149 /nfs/dbraw/zinc/03/01/49/948030149.db2.gz BJIYVHONTCASJA-INIZCTEOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001479909619 971482491 /nfs/dbraw/zinc/48/24/91/971482491.db2.gz HHIXCDMTIRGWKY-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CN(CC)CCO1)C(C)(C)C ZINC001279033867 948626359 /nfs/dbraw/zinc/62/63/59/948626359.db2.gz GTJPSMNQRHHKLT-ZIAGYGMSSA-N 2 0 297.443 1.014 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001480026240 971544382 /nfs/dbraw/zinc/54/43/82/971544382.db2.gz CXZDNMDQUMUUAL-HOTGVXAUSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480061737 971559238 /nfs/dbraw/zinc/55/92/38/971559238.db2.gz LWTAFROJKNDPJG-LSDHHAIUSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001328662744 955401445 /nfs/dbraw/zinc/40/14/45/955401445.db2.gz WSJKUOPOBIRJJP-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001491829710 955457820 /nfs/dbraw/zinc/45/78/20/955457820.db2.gz QBISVOMYJOVAFO-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001491814309 955480616 /nfs/dbraw/zinc/48/06/16/955480616.db2.gz KHFSDIBBDMISBJ-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001329044487 955646421 /nfs/dbraw/zinc/64/64/21/955646421.db2.gz FNTSRLDMVFAXEC-VXGBXAGGSA-N 2 0 293.436 1.539 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc2nccn21 ZINC001329086082 955678169 /nfs/dbraw/zinc/67/81/69/955678169.db2.gz MVRWGCHJSNQEDO-STQMWFEESA-N 2 0 284.363 1.454 10 30 CDEERP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480742156 957181952 /nfs/dbraw/zinc/18/19/52/957181952.db2.gz GUALJZVURDSQLQ-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001317014071 957202082 /nfs/dbraw/zinc/20/20/82/957202082.db2.gz AGJCMBVMVSETRI-JKSUJKDBSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001317023811 957209602 /nfs/dbraw/zinc/20/96/02/957209602.db2.gz FQTIVEMKZWTXQL-HZPDHXFCSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317156336 957309879 /nfs/dbraw/zinc/30/98/79/957309879.db2.gz VBQUFGJONZXFLK-HRCADAONSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317200595 957337831 /nfs/dbraw/zinc/33/78/31/957337831.db2.gz RWQUTDMWRAOSDA-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001317430428 957467458 /nfs/dbraw/zinc/46/74/58/957467458.db2.gz VBINMEQMZSRPMZ-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001317508392 957517611 /nfs/dbraw/zinc/51/76/11/957517611.db2.gz NBAIHUYLBKRETQ-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001317533714 957535313 /nfs/dbraw/zinc/53/53/13/957535313.db2.gz WWLFOHYLTZUVHL-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001317547577 957542324 /nfs/dbraw/zinc/54/23/24/957542324.db2.gz ZYBZDPHGAAYFJH-UHFFFAOYSA-N 2 0 281.444 1.426 10 30 CDEERP C#CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001332997152 958004400 /nfs/dbraw/zinc/00/44/00/958004400.db2.gz HCEUQAQRPTYYCC-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001494828395 972317982 /nfs/dbraw/zinc/31/79/82/972317982.db2.gz RUQFJNDAAAJODZ-BZUAXINKSA-N 2 0 293.455 1.826 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001333151617 958111378 /nfs/dbraw/zinc/11/13/78/958111378.db2.gz AEGHXJYEAGPWRT-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318482000 958126608 /nfs/dbraw/zinc/12/66/08/958126608.db2.gz DSGVXNKFTKCJKU-AWEZNQCLSA-N 2 0 279.428 1.437 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001318483871 958129139 /nfs/dbraw/zinc/12/91/39/958129139.db2.gz HEHQKTSKQKFLRX-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001319307196 958490599 /nfs/dbraw/zinc/49/05/99/958490599.db2.gz FKKOXBDHRKKUHR-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001319916979 958784835 /nfs/dbraw/zinc/78/48/35/958784835.db2.gz IXHYUYBXALRVEH-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001320544867 959228768 /nfs/dbraw/zinc/22/87/68/959228768.db2.gz VGXZPDJVWWWBIF-CHWSQXEVSA-N 2 0 255.406 1.243 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001321063592 959569904 /nfs/dbraw/zinc/56/99/04/959569904.db2.gz HZYAGEAKPNIDLF-SREVYHEPSA-N 2 0 277.412 1.146 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001321334517 959727682 /nfs/dbraw/zinc/72/76/82/959727682.db2.gz AWGUTEGXIVKKAT-WSNITJDQSA-N 2 0 265.401 1.166 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001321340040 959731522 /nfs/dbraw/zinc/73/15/22/959731522.db2.gz WZHWUTFDWVRFJT-GXMNPTEKSA-N 2 0 265.401 1.166 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001336004691 960147815 /nfs/dbraw/zinc/14/78/15/960147815.db2.gz VRKHTYOPSDYPJE-UONOGXRCSA-N 2 0 294.443 1.263 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001323613716 960865345 /nfs/dbraw/zinc/86/53/45/960865345.db2.gz JMOBPYSFTBVKBB-KGLIPLIRSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC001544078248 967335322 /nfs/dbraw/zinc/33/53/22/967335322.db2.gz DPVQKLDJQQTRFM-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001353325593 967901701 /nfs/dbraw/zinc/90/17/01/967901701.db2.gz BVGDQGHRCQQUDY-ZIAGYGMSSA-N 2 0 294.443 1.182 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](CC)CC1(C)C ZINC001456233243 968910678 /nfs/dbraw/zinc/91/06/78/968910678.db2.gz WJDMJBOBUSQPQJ-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001496371180 972901450 /nfs/dbraw/zinc/90/14/50/972901450.db2.gz YVDXHQNFUFBTNL-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001496452970 972928686 /nfs/dbraw/zinc/92/86/86/972928686.db2.gz WSNXXCGYFGQPPZ-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001497264794 973266753 /nfs/dbraw/zinc/26/67/53/973266753.db2.gz SZVCIVGZJMZSHT-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374271884 973867971 /nfs/dbraw/zinc/86/79/71/973867971.db2.gz QUEXZYIERJYMOH-STQMWFEESA-N 2 0 287.835 1.660 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001499005171 974157432 /nfs/dbraw/zinc/15/74/32/974157432.db2.gz LOBCLDAPTLGLIW-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001501080393 974529591 /nfs/dbraw/zinc/52/95/91/974529591.db2.gz OGFYDGHRIZLSNY-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001502371644 974727396 /nfs/dbraw/zinc/72/73/96/974727396.db2.gz SNTGDYJULBLZBB-CQSZACIVSA-N 2 0 269.433 1.539 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001505706381 974969780 /nfs/dbraw/zinc/96/97/80/974969780.db2.gz OTCRKLXPSQIEBR-KBPBESRZSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001506904574 975253410 /nfs/dbraw/zinc/25/34/10/975253410.db2.gz GXNDSTQBGDOOKA-BIQWYFBQSA-N 2 0 279.428 1.530 10 30 CDEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507028623 975299403 /nfs/dbraw/zinc/29/94/03/975299403.db2.gz RUWRKNQSAMXYOU-GDBMZVCRSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001507427188 975465784 /nfs/dbraw/zinc/46/57/84/975465784.db2.gz IXHWPDDCDXEEOI-KBPBESRZSA-N 2 0 299.846 1.709 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001507451389 975474254 /nfs/dbraw/zinc/47/42/54/975474254.db2.gz QMGWFPILQDENLC-HUUCEWRRSA-N 2 0 295.471 1.975 10 30 CDEERP C=C(Cl)C[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001390264920 976192200 /nfs/dbraw/zinc/19/22/00/976192200.db2.gz KFXMDBRQBQQVCS-UHFFFAOYSA-N 2 0 287.835 1.708 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001675213990 1174083246 /nfs/dbraw/zinc/08/32/46/1174083246.db2.gz NPQURCIYMCGPHO-UHFFFAOYSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)C[NH2+][C@H](CCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001676180362 1174187268 /nfs/dbraw/zinc/18/72/68/1174187268.db2.gz WCMWXGNTXLTUGL-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001676679806 1174253816 /nfs/dbraw/zinc/25/38/16/1174253816.db2.gz DVYRPCHWVDYGOV-HZPDHXFCSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001676783277 1174271215 /nfs/dbraw/zinc/27/12/15/1174271215.db2.gz KPDPBJADLOUXLI-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH+]1CCC([C@H](C)NC(=O)CC[N@@H+](C)CC)CC1 ZINC001677367885 1174354319 /nfs/dbraw/zinc/35/43/19/1174354319.db2.gz POSUTCRLFCZBBJ-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[N@H+]1C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001570905504 1170315482 /nfs/dbraw/zinc/31/54/82/1170315482.db2.gz UVQFYLWMDAMQIM-GJZGRUSLSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[N@H+]1CCCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001571044061 1170329966 /nfs/dbraw/zinc/32/99/66/1170329966.db2.gz SOMUDXQLWJPGEI-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000594435507 342898991 /nfs/dbraw/zinc/89/89/91/342898991.db2.gz GNZCMQSCVPPUIC-CHWSQXEVSA-N 2 0 266.389 1.046 10 30 CDEERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594438186 342905818 /nfs/dbraw/zinc/90/58/18/342905818.db2.gz RECYTKGXHSZRRN-MCIONIFRSA-N 2 0 280.416 1.196 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000594437737 342906013 /nfs/dbraw/zinc/90/60/13/342906013.db2.gz DYJQCZRBWKWSRL-CYBMUJFWSA-N 2 0 287.367 1.077 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000594443058 342907751 /nfs/dbraw/zinc/90/77/51/342907751.db2.gz ZJIRISLDUJNJPQ-AWEZNQCLSA-N 2 0 292.427 1.390 10 30 CDEERP CCCC[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600723021 342244927 /nfs/dbraw/zinc/24/49/27/342244927.db2.gz UEEOIVGBAAWCFG-OAHLLOKOSA-N 2 0 279.428 1.895 10 30 CDEERP N#Cc1ccc(C2([NH2+]C[C@@H]3CC[NH2+]C3)CCOCC2)cc1 ZINC000600740531 349877830 /nfs/dbraw/zinc/87/78/30/349877830.db2.gz IVZASTIOPBUFFX-OAHLLOKOSA-N 2 0 285.391 1.763 10 30 CDEERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598705672 343877717 /nfs/dbraw/zinc/87/77/17/343877717.db2.gz LTSWZSCWQRTDSI-XQQFMLRXSA-N 2 0 253.390 1.217 10 30 CDEERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000069349804 290085662 /nfs/dbraw/zinc/08/56/62/290085662.db2.gz JDZWRNIBANUUJN-AWEZNQCLSA-N 2 0 287.407 1.741 10 30 CDEERP C=CCN1CC[C@H](N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1=O ZINC000420381179 376344440 /nfs/dbraw/zinc/34/44/40/376344440.db2.gz CJKPURPCJVUJBQ-KFWWJZLASA-N 2 0 277.412 1.237 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000417545172 377932220 /nfs/dbraw/zinc/93/22/20/377932220.db2.gz XNVXGTNXYQULSE-HIFRSBDPSA-N 2 0 294.443 1.324 10 30 CDEERP CC[NH+](CC)CC1CC[NH+](CCOCCC#N)CC1 ZINC000338911771 391231664 /nfs/dbraw/zinc/23/16/64/391231664.db2.gz NARFHSSKAPUXNG-UHFFFAOYSA-N 2 0 267.417 1.970 10 30 CDEERP C=CC[C@@]1(C(=O)NCCC[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662669508 413278193 /nfs/dbraw/zinc/27/81/93/413278193.db2.gz ACFBRPCISFKDCZ-INIZCTEOSA-N 2 0 279.428 1.677 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[N@@H+](CC)CCC)CCC[NH2+]1 ZINC000662749396 413425125 /nfs/dbraw/zinc/42/51/25/413425125.db2.gz LGQZFKXMPYCGAC-HNNXBMFYSA-N 2 0 267.417 1.533 10 30 CDEERP C=CCCC[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001665676834 1173034926 /nfs/dbraw/zinc/03/49/26/1173034926.db2.gz OJIWWQFJZDAGLP-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[C@H](O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319792 414637845 /nfs/dbraw/zinc/63/78/45/414637845.db2.gz MLLQBTNWDYBQMU-LSDHHAIUSA-N 2 0 270.417 1.356 10 30 CDEERP COC1CC[NH+](Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683673 175091621 /nfs/dbraw/zinc/09/16/21/175091621.db2.gz IUADTAQPSUCNBT-UHFFFAOYSA-N 2 0 264.394 1.669 10 30 CDEERP N#Cc1ccsc1NC(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000044513797 175189182 /nfs/dbraw/zinc/18/91/82/175189182.db2.gz ZXMVPDOXEQRICC-UHFFFAOYSA-N 2 0 292.408 1.619 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCC[NH2+]1 ZINC000662833598 424513455 /nfs/dbraw/zinc/51/34/55/424513455.db2.gz PLAATXVJEMPZBL-GUTXKFCHSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668972639 1173486624 /nfs/dbraw/zinc/48/66/24/1173486624.db2.gz BJKNIKNYSLSKPS-VOTSOKGWSA-N 2 0 279.428 1.699 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001669904130 1173626803 /nfs/dbraw/zinc/62/68/03/1173626803.db2.gz GTUVNDLXQCRQEY-AWEZNQCLSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001671437104 1173681489 /nfs/dbraw/zinc/68/14/89/1173681489.db2.gz JJGJTXXNSRBWGC-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001673898870 1173895282 /nfs/dbraw/zinc/89/52/82/1173895282.db2.gz XWUOUDJPYCHXBJ-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP [NH2+]=C(NC[C@@H]1CN(C2CC2)CCO1)Nc1ccccc1 ZINC000262717229 330028422 /nfs/dbraw/zinc/02/84/22/330028422.db2.gz SNUNRKSTJZRQPO-CQSZACIVSA-N 2 0 274.368 1.276 10 30 CDEERP C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@@H](C)C(C)C ZINC000262809645 330033330 /nfs/dbraw/zinc/03/33/30/330033330.db2.gz UUHREVJRKYNISE-GXTWGEPZSA-N 2 0 286.489 1.633 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC12CC2 ZINC000263090477 330043122 /nfs/dbraw/zinc/04/31/22/330043122.db2.gz ISMJAHUSKFYPPM-NEPJUHHUSA-N 2 0 250.390 1.175 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001698978640 1159180268 /nfs/dbraw/zinc/18/02/68/1159180268.db2.gz WZHURKZJASGCOJ-CQSZACIVSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725470230 1159242516 /nfs/dbraw/zinc/24/25/16/1159242516.db2.gz LIGHMQBSBVTTMU-ZFWWWQNUSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482889592 1160641232 /nfs/dbraw/zinc/64/12/32/1160641232.db2.gz QVAGEVUUTXQZAM-ZIAGYGMSSA-N 2 0 267.417 1.080 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001317546193 1160829243 /nfs/dbraw/zinc/82/92/43/1160829243.db2.gz OFXGVDDVNJPUDZ-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001691660920 1161441854 /nfs/dbraw/zinc/44/18/54/1161441854.db2.gz IWTYHLVPWDQPBD-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001714542022 1179198147 /nfs/dbraw/zinc/19/81/47/1179198147.db2.gz FHSRFEOHZWNHNF-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001725446519 1182003631 /nfs/dbraw/zinc/00/36/31/1182003631.db2.gz WNQZQACAYMTAPC-LSDHHAIUSA-N 2 0 279.428 1.082 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001733779567 1183531758 /nfs/dbraw/zinc/53/17/58/1183531758.db2.gz UZFVMUDZSPHHMZ-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C[NH+](C)C[C@@H]1CCCN1Cc1ccc(C#CC[NH3+])cc1 ZINC000061652292 521840923 /nfs/dbraw/zinc/84/09/23/521840923.db2.gz XHJBOQWGPRQHID-KRWDZBQOSA-N 2 0 271.408 1.523 10 30 CDEERP CN1CCC([N@H+](C)Cc2cccc(C#CC[NH3+])c2)CC1 ZINC000049608601 523290691 /nfs/dbraw/zinc/29/06/91/523290691.db2.gz BPQPHJKQXPDNDF-UHFFFAOYSA-N 2 0 271.408 1.523 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000334892420 526431032 /nfs/dbraw/zinc/43/10/32/526431032.db2.gz NGPDCXJSKPCSPF-DZGCQCFKSA-N 2 0 292.427 1.030 10 30 CDEERP [NH3+]CC#Cc1ccc(OCC[NH+]2CCC(CO)CC2)cc1 ZINC000049608308 527151320 /nfs/dbraw/zinc/15/13/20/527151320.db2.gz FAUBUNPOYBDSNE-UHFFFAOYSA-N 2 0 288.391 1.080 10 30 CDEERP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001689159709 1175103717 /nfs/dbraw/zinc/10/37/17/1175103717.db2.gz VLDSCLVIULIDMU-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001689905967 1175302694 /nfs/dbraw/zinc/30/26/94/1175302694.db2.gz QUOCZWNIGYTQOS-GOEBONIOSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940617285 613536985 /nfs/dbraw/zinc/53/69/85/613536985.db2.gz IFPPBUKEQKKOAP-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902793611 625410586 /nfs/dbraw/zinc/41/05/86/625410586.db2.gz LCPDNQMFIXUOGK-UONOGXRCSA-N 2 0 287.411 1.240 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000899982470 622598442 /nfs/dbraw/zinc/59/84/42/622598442.db2.gz KWNAGKIVJXWSAS-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000900344072 622918474 /nfs/dbraw/zinc/91/84/74/622918474.db2.gz HJXVSCZNPNLGQJ-UKRRQHHQSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000915273093 631689100 /nfs/dbraw/zinc/68/91/00/631689100.db2.gz SJFPWRWRSGUFTL-CQSZACIVSA-N 2 0 288.395 1.237 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001670481494 1158617884 /nfs/dbraw/zinc/61/78/84/1158617884.db2.gz YYEIXOBRUIHUFT-CABCVRRESA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CC ZINC001670587641 1158654650 /nfs/dbraw/zinc/65/46/50/1158654650.db2.gz JFPWVOMAJYMXSR-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001691146024 1158932634 /nfs/dbraw/zinc/93/26/34/1158932634.db2.gz LMPZRBPENLBSMO-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001700415772 1158996685 /nfs/dbraw/zinc/99/66/85/1158996685.db2.gz AXTLLAVISSTWDX-UONOGXRCSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001266619778 1158700348 /nfs/dbraw/zinc/70/03/48/1158700348.db2.gz ACFCARKQTJRAGV-MGPQQGTHSA-N 2 0 265.401 1.141 10 30 CDEERP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001725163121 1159173451 /nfs/dbraw/zinc/17/34/51/1159173451.db2.gz BGPHAEXDSQVDER-KGLIPLIRSA-N 2 0 285.407 1.126 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001731593281 1159313341 /nfs/dbraw/zinc/31/33/41/1159313341.db2.gz GJVYAXIAMFLVDO-MGPQQGTHSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC001633922837 1166459570 /nfs/dbraw/zinc/45/95/70/1166459570.db2.gz BQGIOFPJBBJLGP-GFCCVEGCSA-N 2 0 255.406 1.197 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001566954079 1168478500 /nfs/dbraw/zinc/47/85/00/1168478500.db2.gz RCMZKRMNPWAUDL-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC=C)C2CC2)CC1 ZINC001567456178 1168775445 /nfs/dbraw/zinc/77/54/45/1168775445.db2.gz RLENFLUFRIIGKT-UHFFFAOYSA-N 2 0 289.423 1.098 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001569707024 1169971608 /nfs/dbraw/zinc/97/16/08/1169971608.db2.gz IMJKYGPEJJFBRG-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001570907802 1170305881 /nfs/dbraw/zinc/30/58/81/1170305881.db2.gz OMWOTXMNTGJCRR-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001660202898 1172175737 /nfs/dbraw/zinc/17/57/37/1172175737.db2.gz DTCIZAOBBMHMGG-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001662424088 1172547875 /nfs/dbraw/zinc/54/78/75/1172547875.db2.gz ITHIZLGQIJJDNP-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001662791912 1172595787 /nfs/dbraw/zinc/59/57/87/1172595787.db2.gz SSXKOCIYOWLVPX-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001663257725 1172662520 /nfs/dbraw/zinc/66/25/20/1172662520.db2.gz DTUXQRIKFJYGKS-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001663523161 1172715863 /nfs/dbraw/zinc/71/58/63/1172715863.db2.gz HSUCWXYBBTZHRC-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001664754818 1172904976 /nfs/dbraw/zinc/90/49/76/1172904976.db2.gz IRWSRTXCYOKOJF-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001671915969 1173722137 /nfs/dbraw/zinc/72/21/37/1173722137.db2.gz CFBCYGUMPHWQRL-DOTOQJQBSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001690544278 1175491391 /nfs/dbraw/zinc/49/13/91/1175491391.db2.gz HGGOCLKYXBRMSH-YMAMQOFZSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001692236463 1175711099 /nfs/dbraw/zinc/71/10/99/1175711099.db2.gz CHLJQARMUNNJPA-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001698551556 1175835069 /nfs/dbraw/zinc/83/50/69/1175835069.db2.gz DOHNTWNRXZLLOP-HUUCEWRRSA-N 2 0 299.434 1.823 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001698588466 1175859060 /nfs/dbraw/zinc/85/90/60/1175859060.db2.gz PTYDHVYYGLRGPI-KBPBESRZSA-N 2 0 267.417 1.435 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001698620647 1175874347 /nfs/dbraw/zinc/87/43/47/1175874347.db2.gz HHTSKXLYTNACHY-LSDHHAIUSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)CC[N@@H+](C)CCC)CCCC1 ZINC001698639101 1175882370 /nfs/dbraw/zinc/88/23/70/1175882370.db2.gz NXMHZJKZMJMQLQ-UHFFFAOYSA-N 2 0 279.428 1.370 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001698733110 1175908259 /nfs/dbraw/zinc/90/82/59/1175908259.db2.gz NCZREGDCYHLVPX-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001698755767 1175919491 /nfs/dbraw/zinc/91/94/91/1175919491.db2.gz SGJDKBAGWUQKLP-OAHLLOKOSA-N 2 0 293.455 1.780 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001698759302 1175922160 /nfs/dbraw/zinc/92/21/60/1175922160.db2.gz AJZOHVGFQIFBDI-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001699011913 1176039284 /nfs/dbraw/zinc/03/92/84/1176039284.db2.gz ARVXFFVFTIPEAY-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001699128359 1176105601 /nfs/dbraw/zinc/10/56/01/1176105601.db2.gz SYZIQQGLWXQPAZ-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699538991 1176468130 /nfs/dbraw/zinc/46/81/30/1176468130.db2.gz HESZQOAVUCKZED-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001699740382 1176598878 /nfs/dbraw/zinc/59/88/78/1176598878.db2.gz QJULNMMCILWDID-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001699989660 1176709236 /nfs/dbraw/zinc/70/92/36/1176709236.db2.gz LFZHBAHHQYNUJB-XHSDSOJGSA-N 2 0 291.439 1.130 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001700084867 1176743080 /nfs/dbraw/zinc/74/30/80/1176743080.db2.gz BWDWWDQQKYVEPB-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001700680981 1177072081 /nfs/dbraw/zinc/07/20/81/1177072081.db2.gz LTDXHGDPBGYBCK-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001700684721 1177072705 /nfs/dbraw/zinc/07/27/05/1177072705.db2.gz YUOQVDYBHYRVJA-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001700753494 1177115431 /nfs/dbraw/zinc/11/54/31/1177115431.db2.gz WIQQLBPXINCETD-GFCCVEGCSA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001700765721 1177121766 /nfs/dbraw/zinc/12/17/66/1177121766.db2.gz BLYXUQUEFOXCEB-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001700843049 1177162683 /nfs/dbraw/zinc/16/26/83/1177162683.db2.gz BNYMXEFMNFRWGV-KBPBESRZSA-N 2 0 277.412 1.073 10 30 CDEERP C#CCN1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001707064633 1177935870 /nfs/dbraw/zinc/93/58/70/1177935870.db2.gz YOJDLUVXWHGLNM-CVEARBPZSA-N 2 0 291.439 1.273 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001707111704 1177954910 /nfs/dbraw/zinc/95/49/10/1177954910.db2.gz IQMRZHZBIZCBCF-GOEBONIOSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001713094097 1178364646 /nfs/dbraw/zinc/36/46/46/1178364646.db2.gz CMKUBUDUJIHICB-CQSZACIVSA-N 2 0 291.439 1.627 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001713112113 1178373486 /nfs/dbraw/zinc/37/34/86/1178373486.db2.gz FYXWDFZXXRFGDE-JKSUJKDBSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001713205410 1178431154 /nfs/dbraw/zinc/43/11/54/1178431154.db2.gz JCVZFWJQFUFZAJ-MCIONIFRSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713592466 1178673964 /nfs/dbraw/zinc/67/39/64/1178673964.db2.gz WHLWRQKQYWUWAN-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001713880694 1178813173 /nfs/dbraw/zinc/81/31/73/1178813173.db2.gz QQAPLRHCCXAWOQ-HNNXBMFYSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001714242172 1179041489 /nfs/dbraw/zinc/04/14/89/1179041489.db2.gz WVSFBVUKXWNWEK-UKRRQHHQSA-N 2 0 279.428 1.674 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001715141216 1179563646 /nfs/dbraw/zinc/56/36/46/1179563646.db2.gz WMLKIBAOOJYZEC-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)CC[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001715530761 1179702774 /nfs/dbraw/zinc/70/27/74/1179702774.db2.gz GWZINBFNFWHUEZ-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001716144487 1180070939 /nfs/dbraw/zinc/07/09/39/1180070939.db2.gz DUIZDUPAIKADQK-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716354495 1180165357 /nfs/dbraw/zinc/16/53/57/1180165357.db2.gz FNKXGEHJHJZOQC-VOTSOKGWSA-N 2 0 299.418 1.647 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001716519924 1180263569 /nfs/dbraw/zinc/26/35/69/1180263569.db2.gz IEFJSIUIWKWHJB-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001716712742 1180379852 /nfs/dbraw/zinc/37/98/52/1180379852.db2.gz WHEQYAIOSOEFNP-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001716874566 1180449364 /nfs/dbraw/zinc/44/93/64/1180449364.db2.gz MEJPLCAVYJLCBR-NVXWUHKLSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001717208535 1180575205 /nfs/dbraw/zinc/57/52/05/1180575205.db2.gz GOCIJNPGGIBSKZ-CQSZACIVSA-N 2 0 267.417 1.130 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001717338640 1180622288 /nfs/dbraw/zinc/62/22/88/1180622288.db2.gz XTHAHRYXZVJFBN-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001717367338 1180631523 /nfs/dbraw/zinc/63/15/23/1180631523.db2.gz IJXKDWDAZKFAOE-HUUCEWRRSA-N 2 0 277.412 1.027 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001717960175 1180947862 /nfs/dbraw/zinc/94/78/62/1180947862.db2.gz UYHJQLSWQLHAQD-MGPQQGTHSA-N 2 0 281.444 1.633 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001722917800 1181493492 /nfs/dbraw/zinc/49/34/92/1181493492.db2.gz XDXDFRCETSAFFI-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001722992192 1181506817 /nfs/dbraw/zinc/50/68/17/1181506817.db2.gz UDUHPJOATWQNNF-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001723052292 1181515182 /nfs/dbraw/zinc/51/51/82/1181515182.db2.gz NTCJHQYDVKZHON-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001725184339 1181912289 /nfs/dbraw/zinc/91/22/89/1181912289.db2.gz YEAAZJLQMHJSTF-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001725630472 1182077900 /nfs/dbraw/zinc/07/79/00/1182077900.db2.gz FXHKQMBXRABCDN-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001731239772 1182268223 /nfs/dbraw/zinc/26/82/23/1182268223.db2.gz AZKLHRFQRFAEAG-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001731240841 1182271153 /nfs/dbraw/zinc/27/11/53/1182271153.db2.gz DYGQSANRWRAMDG-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH+]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001731858339 1182630127 /nfs/dbraw/zinc/63/01/27/1182630127.db2.gz SEVXBMCTALFBAD-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001732189301 1182841620 /nfs/dbraw/zinc/84/16/20/1182841620.db2.gz HVWWUJPECYWNSY-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001732438252 1182953950 /nfs/dbraw/zinc/95/39/50/1182953950.db2.gz VPWHKIJSHAFMKJ-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732433314 1182963903 /nfs/dbraw/zinc/96/39/03/1182963903.db2.gz LNZDRRKMPXHHNO-AWEZNQCLSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001732490321 1182987945 /nfs/dbraw/zinc/98/79/45/1182987945.db2.gz WOFJDUJTSWPODM-GDBMZVCRSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001732515909 1182994693 /nfs/dbraw/zinc/99/46/93/1182994693.db2.gz HIPXSJRNZHNPGF-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001732741335 1183105062 /nfs/dbraw/zinc/10/50/62/1183105062.db2.gz DJLJFNYJXGPEDS-CQSZACIVSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001733200423 1183327674 /nfs/dbraw/zinc/32/76/74/1183327674.db2.gz QXRBDVQVBFIPLF-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001733770103 1183527857 /nfs/dbraw/zinc/52/78/57/1183527857.db2.gz GOUMCHOVMUCCLC-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001733877572 1183557247 /nfs/dbraw/zinc/55/72/47/1183557247.db2.gz ZQNJCGQMXWYAFQ-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001733930935 1183571434 /nfs/dbraw/zinc/57/14/34/1183571434.db2.gz ZULNISCQQPOJSI-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001733938116 1183574822 /nfs/dbraw/zinc/57/48/22/1183574822.db2.gz NUKHVKCDGFVVSF-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001733942984 1183577197 /nfs/dbraw/zinc/57/71/97/1183577197.db2.gz FMZRNEAKQKWVJN-OAHLLOKOSA-N 2 0 279.428 1.273 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001734001991 1183610293 /nfs/dbraw/zinc/61/02/93/1183610293.db2.gz PFDPJJUIUHTUBO-QWHCGFSZSA-N 2 0 265.401 1.141 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001734346095 1183741892 /nfs/dbraw/zinc/74/18/92/1183741892.db2.gz JKYRJMXCUQDHJQ-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001734420247 1183772782 /nfs/dbraw/zinc/77/27/82/1183772782.db2.gz CXBHQJFIVXXVNO-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001734456755 1183785104 /nfs/dbraw/zinc/78/51/04/1183785104.db2.gz HNLWMPJUXOUHMO-HOCLYGCPSA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C(C)(C)C ZINC001734576447 1183831421 /nfs/dbraw/zinc/83/14/21/1183831421.db2.gz OIWFOZGKPWNEPU-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP CC[N@@H+]1CC[C@H]([NH+](C)CCO[C@@H](C)C#N)[C@H](C)C1 ZINC000801933297 773802701 /nfs/dbraw/zinc/80/27/01/773802701.db2.gz MZMVAZLLRREJSQ-RDBSUJKOSA-N 2 0 253.390 1.577 10 30 CDEERP [NH3+]CCC[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccccc1 ZINC000852891711 773884549 /nfs/dbraw/zinc/88/45/49/773884549.db2.gz WEVWODOAFRPQJU-QGZVFWFLSA-N 2 0 299.418 1.586 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000877251442 774460787 /nfs/dbraw/zinc/46/07/87/774460787.db2.gz PNNVFDHUMAWWPI-VXGBXAGGSA-N 2 0 273.808 1.255 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CCC[NH2+]1 ZINC000877151840 774872105 /nfs/dbraw/zinc/87/21/05/774872105.db2.gz SZDGNAVIEXPESO-CZUORRHYSA-N 2 0 279.428 1.579 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000876947287 776157722 /nfs/dbraw/zinc/15/77/22/776157722.db2.gz BQORIRWZCMBVIN-GFCCVEGCSA-N 2 0 285.750 1.371 10 30 CDEERP CN(CCC[NH+](C)C)CC/N=C/c1ccc(O)c(O)c1O ZINC000849169950 776435650 /nfs/dbraw/zinc/43/56/50/776435650.db2.gz JFJYHPPPMLRFTI-LFIBNONCSA-N 2 0 295.383 1.106 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000870573243 776943236 /nfs/dbraw/zinc/94/32/36/776943236.db2.gz KHGAUFBEOMMTTM-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000876532942 777738533 /nfs/dbraw/zinc/73/85/33/777738533.db2.gz NCJPOSXKQFWRDQ-VXGBXAGGSA-N 2 0 273.808 1.480 10 30 CDEERP C=CCNC(N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)=[NH+]CC ZINC000261961968 779330950 /nfs/dbraw/zinc/33/09/50/779330950.db2.gz KIMIGXXTLXVQEL-CHWSQXEVSA-N 2 0 252.406 1.456 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000876533238 779954751 /nfs/dbraw/zinc/95/47/51/779954751.db2.gz GMQZGRORWOEKGE-LSJOCFKGSA-N 2 0 259.781 1.042 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000876879330 780070544 /nfs/dbraw/zinc/07/05/44/780070544.db2.gz QHKVUVXEKROVRX-GHMZBOCLSA-N 2 0 259.781 1.009 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246226 780073942 /nfs/dbraw/zinc/07/39/42/780073942.db2.gz RXROXQDPLVFRGP-WRWGMCAJSA-N 2 0 271.792 1.103 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001570440138 1167575162 /nfs/dbraw/zinc/57/51/62/1167575162.db2.gz IOOABDXSMQDXIZ-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001565994243 1168209851 /nfs/dbraw/zinc/20/98/51/1168209851.db2.gz CIRIZZXFAFQLMO-FVQBIDKESA-N 2 0 293.455 1.729 10 30 CDEERP C#CCC[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001567333243 1168686446 /nfs/dbraw/zinc/68/64/46/1168686446.db2.gz OAGDZTRSBQBHPV-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[N@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001266290445 894176137 /nfs/dbraw/zinc/17/61/37/894176137.db2.gz AHQIYGXWKPJRRG-UHFFFAOYSA-N 2 0 286.379 1.880 10 30 CDEERP C=CCCC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001266379804 894636021 /nfs/dbraw/zinc/63/60/21/894636021.db2.gz BHJYVIAWPLJNJN-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001266438703 894894848 /nfs/dbraw/zinc/89/48/48/894894848.db2.gz DAPXNRQZVIFGOO-GJZGRUSLSA-N 2 0 279.428 1.080 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266518305 895197894 /nfs/dbraw/zinc/19/78/94/895197894.db2.gz YDTHDGULKVIZIM-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266535300 895262198 /nfs/dbraw/zinc/26/21/98/895262198.db2.gz XUVNXZOIRWQJIF-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266545408 895301248 /nfs/dbraw/zinc/30/12/48/895301248.db2.gz OZYHXMMEMZGZDJ-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267089782 896741308 /nfs/dbraw/zinc/74/13/08/896741308.db2.gz SWQGKVJBQNVABI-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001267141875 896907639 /nfs/dbraw/zinc/90/76/39/896907639.db2.gz LFRRSPJIXHIIKX-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+](C)CCC ZINC001267178646 897018947 /nfs/dbraw/zinc/01/89/47/897018947.db2.gz DDKTYEYQHMIAHQ-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)Cc1cncn1C ZINC001267279365 897451891 /nfs/dbraw/zinc/45/18/91/897451891.db2.gz CPNDYGLTOCJKSB-AWEZNQCLSA-N 2 0 290.411 1.509 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)Cn2ccnc2C)C1 ZINC001267548586 898323431 /nfs/dbraw/zinc/32/34/31/898323431.db2.gz IWUUYBSELLJUMD-HNNXBMFYSA-N 2 0 290.411 1.690 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267562573 898375411 /nfs/dbraw/zinc/37/54/11/898375411.db2.gz XIFUUUCBZKIIKW-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267564833 898381337 /nfs/dbraw/zinc/38/13/37/898381337.db2.gz FZXWZYBXTNFYNB-OAHLLOKOSA-N 2 0 295.471 1.979 10 30 CDEERP C#CCC[NH+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001481043930 898675842 /nfs/dbraw/zinc/67/58/42/898675842.db2.gz HAHLFQRMCBABMN-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001567633596 1168898493 /nfs/dbraw/zinc/89/84/93/1168898493.db2.gz DYSJXXXFMBSSBI-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001420070573 899113230 /nfs/dbraw/zinc/11/32/30/899113230.db2.gz AKTMAFGDUIFWJR-KBPBESRZSA-N 2 0 299.846 1.613 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001481261354 899697994 /nfs/dbraw/zinc/69/79/94/899697994.db2.gz CSDNBFYZHLOTBK-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001267991557 900209761 /nfs/dbraw/zinc/20/97/61/900209761.db2.gz AYTLSRQCDNNTIB-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481343082 900460196 /nfs/dbraw/zinc/46/01/96/900460196.db2.gz QQHGSTMRIHVNEM-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC001268036681 900693957 /nfs/dbraw/zinc/69/39/57/900693957.db2.gz BJOTVXRXIVTGST-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001268211982 901582278 /nfs/dbraw/zinc/58/22/78/901582278.db2.gz JQTMRXAFIJQMMQ-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001268290108 901754940 /nfs/dbraw/zinc/75/49/40/901754940.db2.gz XYBGFICUDMYOJG-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001481695816 901820512 /nfs/dbraw/zinc/82/05/12/901820512.db2.gz HJSXLXVTPBTKSS-OCCSQVGLSA-N 2 0 290.411 1.806 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268451972 902095747 /nfs/dbraw/zinc/09/57/47/902095747.db2.gz SQZDBWXXTDAFFR-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001268911842 903234361 /nfs/dbraw/zinc/23/43/61/903234361.db2.gz UBAMIUYMXILKPD-INIZCTEOSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269250758 903612283 /nfs/dbraw/zinc/61/22/83/903612283.db2.gz HZRWMSZSDHLCSC-KBPBESRZSA-N 2 0 267.417 1.291 10 30 CDEERP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)Cc1[nH]cnc1C ZINC001269339184 903714563 /nfs/dbraw/zinc/71/45/63/903714563.db2.gz XJYUWDOIFLHREN-ZDUSSCGKSA-N 2 0 276.384 1.417 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001269350423 903725783 /nfs/dbraw/zinc/72/57/83/903725783.db2.gz IHWVAFIOLGOSOI-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001482235588 904004792 /nfs/dbraw/zinc/00/47/92/904004792.db2.gz LDAFCNFAFNTFQS-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001270037218 904295134 /nfs/dbraw/zinc/29/51/34/904295134.db2.gz ZILMUMCEEOXGNJ-SHTZXODSSA-N 2 0 289.423 1.123 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001270753234 905019362 /nfs/dbraw/zinc/01/93/62/905019362.db2.gz UQPUBXYZCQWPTM-MRXNPFEDSA-N 2 0 291.439 1.629 10 30 CDEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271007026 905543706 /nfs/dbraw/zinc/54/37/06/905543706.db2.gz HGOWUFWFXGCAPD-DOTOQJQBSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001271294643 906230011 /nfs/dbraw/zinc/23/00/11/906230011.db2.gz RDHJRMIFNHEGET-HZPDHXFCSA-N 2 0 295.471 1.716 10 30 CDEERP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001271759043 906778770 /nfs/dbraw/zinc/77/87/70/906778770.db2.gz LFAOLQLRWSZMRL-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001271923275 906984043 /nfs/dbraw/zinc/98/40/43/906984043.db2.gz SODRUIGFVXFLGG-UONOGXRCSA-N 2 0 267.417 1.080 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001273578251 921405604 /nfs/dbraw/zinc/40/56/04/921405604.db2.gz OKIHQTHGZRRWNY-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482956065 908533635 /nfs/dbraw/zinc/53/36/35/908533635.db2.gz COLZUGNGCHYTRW-UHFFFAOYSA-N 2 0 289.423 1.986 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001483158643 909884006 /nfs/dbraw/zinc/88/40/06/909884006.db2.gz APEUVWXRAKNTOL-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC(C)C)CC1 ZINC001483197965 909959194 /nfs/dbraw/zinc/95/91/94/909959194.db2.gz TZUXWXBLMWAMQJ-CQSZACIVSA-N 2 0 279.428 1.082 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001483420415 911093304 /nfs/dbraw/zinc/09/33/04/911093304.db2.gz ITVUWEPZVFFHDX-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001483473875 911166401 /nfs/dbraw/zinc/16/64/01/911166401.db2.gz DDDGMPZMKMDHIS-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001483597173 911308169 /nfs/dbraw/zinc/30/81/69/911308169.db2.gz WGOJAFOQDXTESE-MRXNPFEDSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001483953686 915239495 /nfs/dbraw/zinc/23/94/95/915239495.db2.gz LMWDVEYNRGCZEB-RDJZCZTQSA-N 2 0 291.439 1.629 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001484646984 915990483 /nfs/dbraw/zinc/99/04/83/915990483.db2.gz ZMEBUYVLAYNXRW-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001484660540 916007056 /nfs/dbraw/zinc/00/70/56/916007056.db2.gz IPSRKNCHCVNDDA-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001484725446 916085063 /nfs/dbraw/zinc/08/50/63/916085063.db2.gz ADHGBMVWNZTQOD-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001484897166 916251762 /nfs/dbraw/zinc/25/17/62/916251762.db2.gz HLRWKZTVHLXOAM-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001484978299 916352523 /nfs/dbraw/zinc/35/25/23/916352523.db2.gz JKTSWIJUJKWZPG-KGLIPLIRSA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001568209258 1169179210 /nfs/dbraw/zinc/17/92/10/1169179210.db2.gz RYVJUZAEHZJSPE-CABCVRRESA-N 2 0 281.444 1.635 10 30 CDEERP C#CCC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001272817592 919706272 /nfs/dbraw/zinc/70/62/72/919706272.db2.gz PNXODYOISITOGP-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001276398891 936614246 /nfs/dbraw/zinc/61/42/46/936614246.db2.gz DVEYGOLVLJNGSO-UHFFFAOYSA-N 2 0 267.417 1.487 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001486093040 920690692 /nfs/dbraw/zinc/69/06/92/920690692.db2.gz STFDNNBMUUMWSX-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001486120487 920732297 /nfs/dbraw/zinc/73/22/97/920732297.db2.gz BSKRYVQNPIRJKC-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001649448339 1169257728 /nfs/dbraw/zinc/25/77/28/1169257728.db2.gz WSYKXMYXQSZPPQ-PBHICJAKSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001491004025 936840846 /nfs/dbraw/zinc/84/08/46/936840846.db2.gz ZERFNPJGFMQVFL-MJBXVCDLSA-N 2 0 265.401 1.284 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001491360426 936897935 /nfs/dbraw/zinc/89/79/35/936897935.db2.gz IAEQJILJUBKLPF-FHERZECASA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001649464954 1169267012 /nfs/dbraw/zinc/26/70/12/1169267012.db2.gz ATFDVXKDUVRQQD-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)CC1CC[NH+](C)CC1 ZINC001495068655 926728350 /nfs/dbraw/zinc/72/83/50/926728350.db2.gz HYULEPXFESWWCN-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001490774364 927339387 /nfs/dbraw/zinc/33/93/87/927339387.db2.gz AGIBHYJHPLJIPI-HZPDHXFCSA-N 2 0 293.455 1.376 10 30 CDEERP CC#CCN(C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001568498851 1169332820 /nfs/dbraw/zinc/33/28/20/1169332820.db2.gz SEVAEIRBHOFWLG-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001274152712 931205520 /nfs/dbraw/zinc/20/55/20/931205520.db2.gz HIDRCFWKZPFRQN-WLMCBFPDSA-N 2 0 291.439 1.392 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001275114296 931668406 /nfs/dbraw/zinc/66/84/06/931668406.db2.gz HTGXWACLABEOAH-LSDHHAIUSA-N 2 0 297.418 1.222 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001276656371 940615426 /nfs/dbraw/zinc/61/54/26/940615426.db2.gz NUMDVVTURKTKQO-UKRRQHHQSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001281529890 942589675 /nfs/dbraw/zinc/58/96/75/942589675.db2.gz CZFOUXKELWGGAB-UHFFFAOYSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001281770839 942619280 /nfs/dbraw/zinc/61/92/80/942619280.db2.gz RDNKEFBYMDNNDV-ZDUSSCGKSA-N 2 0 253.390 1.143 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001281931950 942634082 /nfs/dbraw/zinc/63/40/82/942634082.db2.gz GQMABLDCWBTFLM-JKSUJKDBSA-N 2 0 291.439 1.415 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001281956969 942636705 /nfs/dbraw/zinc/63/67/05/942636705.db2.gz NRDZHRDMMREPNQ-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001282336101 942690546 /nfs/dbraw/zinc/69/05/46/942690546.db2.gz XUOXVRYVJCKXNX-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001283462686 942897612 /nfs/dbraw/zinc/89/76/12/942897612.db2.gz DANBORKEDUVQGL-JKSUJKDBSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001284292988 943139774 /nfs/dbraw/zinc/13/97/74/943139774.db2.gz LNNFRHDBADEIMO-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001284623854 943227683 /nfs/dbraw/zinc/22/76/83/943227683.db2.gz BPGCUUYVEIJXRB-OAHLLOKOSA-N 2 0 293.455 1.472 10 30 CDEERP C#CCC[NH+]1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001284723995 943248104 /nfs/dbraw/zinc/24/81/04/943248104.db2.gz PQUHRORQVTXUFL-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001263820783 943987964 /nfs/dbraw/zinc/98/79/64/943987964.db2.gz GWHBBUNZVFOOSH-HNNXBMFYSA-N 2 0 279.428 1.581 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1CC ZINC001264066678 944072460 /nfs/dbraw/zinc/07/24/60/944072460.db2.gz VXVGBFIOOHATEF-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001264733480 944171372 /nfs/dbraw/zinc/17/13/72/944171372.db2.gz DKZXJQVZLDMUCZ-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265230634 944287753 /nfs/dbraw/zinc/28/77/53/944287753.db2.gz JHDSTPFMRVFOEN-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265232768 944291048 /nfs/dbraw/zinc/29/10/48/944291048.db2.gz FRDRYANWKMALNB-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265390394 944370881 /nfs/dbraw/zinc/37/08/81/944370881.db2.gz DQEIOIWXBWVAFG-HUUCEWRRSA-N 2 0 279.428 1.130 10 30 CDEERP C#CC[NH2+]C1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001265744725 944486448 /nfs/dbraw/zinc/48/64/48/944486448.db2.gz SMUQNQYTLJASOT-UHFFFAOYSA-N 2 0 291.439 1.513 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001265987144 944616169 /nfs/dbraw/zinc/61/61/69/944616169.db2.gz UIXSZBLEGSRXOE-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001265994873 944621910 /nfs/dbraw/zinc/62/19/10/944621910.db2.gz PEWMZQBIBSJAHF-HOTGVXAUSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001266180591 944737357 /nfs/dbraw/zinc/73/73/57/944737357.db2.gz JDKVYZYHXNYJGX-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH+]1CCC(C2(NC(=O)C[N@@H+](C)CCC)CC2)CC1 ZINC001279368319 944799338 /nfs/dbraw/zinc/79/93/38/944799338.db2.gz OAFUFLMIHBKTPD-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568899248 1169538444 /nfs/dbraw/zinc/53/84/44/1169538444.db2.gz VOSNGCBPKYHUQV-SREVYHEPSA-N 2 0 277.412 1.146 10 30 CDEERP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001479250521 971276111 /nfs/dbraw/zinc/27/61/11/971276111.db2.gz UDOCPEDIFFOSJY-HNNXBMFYSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001480058370 971559725 /nfs/dbraw/zinc/55/97/25/971559725.db2.gz CVCHIXFINIVGRT-AWEZNQCLSA-N 2 0 277.412 1.143 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001480168671 971611497 /nfs/dbraw/zinc/61/14/97/971611497.db2.gz UHDJFMLFNXBSMC-JOCQHMNTSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001480720515 971848992 /nfs/dbraw/zinc/84/89/92/971848992.db2.gz COMGVXJXXUEFTJ-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001480785424 971877520 /nfs/dbraw/zinc/87/75/20/971877520.db2.gz DBDXCJONBDFHBS-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001325919185 954142146 /nfs/dbraw/zinc/14/21/46/954142146.db2.gz HMFDUXYUUPHUFI-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001326555669 954431641 /nfs/dbraw/zinc/43/16/41/954431641.db2.gz WSVRHSSTRZYYJJ-SHTZXODSSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[N@@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001493386056 972041896 /nfs/dbraw/zinc/04/18/96/972041896.db2.gz YCEFXSOMYMFBAC-UHFFFAOYSA-N 2 0 296.374 1.470 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](CC)[NH+](C)C ZINC001297373312 955016186 /nfs/dbraw/zinc/01/61/86/955016186.db2.gz RIFXXBBTOOZHIJ-ZDUSSCGKSA-N 2 0 255.406 1.293 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001328718721 955438630 /nfs/dbraw/zinc/43/86/30/955438630.db2.gz LKNNNULZSQCTNP-HUUCEWRRSA-N 2 0 277.412 1.027 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001328764662 955467056 /nfs/dbraw/zinc/46/70/56/955467056.db2.gz MMEVOBNEGSNWIZ-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491873216 955487356 /nfs/dbraw/zinc/48/73/56/955487356.db2.gz CPVZUCGINAFNPX-LSDHHAIUSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001493761012 972110890 /nfs/dbraw/zinc/11/08/90/972110890.db2.gz HTBRZFVCZZVNFZ-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001492165200 955664909 /nfs/dbraw/zinc/66/49/09/955664909.db2.gz OXNRGQKVDPKLJU-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317293858 956033517 /nfs/dbraw/zinc/03/35/17/956033517.db2.gz IVQMJUMMFFMNRB-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001330244318 956344442 /nfs/dbraw/zinc/34/44/42/956344442.db2.gz KMOPTGIVSMZQGM-ZIAGYGMSSA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494181132 972194938 /nfs/dbraw/zinc/19/49/38/972194938.db2.gz QEIUWYGZUCSJPH-HUUCEWRRSA-N 2 0 279.428 1.295 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001317493084 956699820 /nfs/dbraw/zinc/69/98/20/956699820.db2.gz SBLJEURHWYKGRD-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001330961144 956729277 /nfs/dbraw/zinc/72/92/77/956729277.db2.gz ICJRTFGRONINKA-HUUCEWRRSA-N 2 0 281.444 1.470 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001316796868 957026100 /nfs/dbraw/zinc/02/61/00/957026100.db2.gz UGBHIAUJEUQKCG-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](CC)CC(C)C ZINC001316892801 957101693 /nfs/dbraw/zinc/10/16/93/957101693.db2.gz WCSMSSYHDUPUAY-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001316955417 957150661 /nfs/dbraw/zinc/15/06/61/957150661.db2.gz RMEKAPFKROIPJD-HNNXBMFYSA-N 2 0 291.439 1.629 10 30 CDEERP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317042740 957224070 /nfs/dbraw/zinc/22/40/70/957224070.db2.gz GJPVZBRZXBCMKO-JKSUJKDBSA-N 2 0 293.455 1.520 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001317077495 957251644 /nfs/dbraw/zinc/25/16/44/957251644.db2.gz HPCFOVXTMSITRT-RBSFLKMASA-N 2 0 277.412 1.121 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317081673 957255947 /nfs/dbraw/zinc/25/59/47/957255947.db2.gz ROHWZAKNMWLXLK-HDJSIYSDSA-N 2 0 296.374 1.516 10 30 CDEERP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317177006 957321721 /nfs/dbraw/zinc/32/17/21/957321721.db2.gz FRNNNAGMVBPEJJ-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001317305901 957414353 /nfs/dbraw/zinc/41/43/53/957414353.db2.gz PJZXJCGDISISGQ-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001332119465 957439321 /nfs/dbraw/zinc/43/93/21/957439321.db2.gz RZGKJMIVULJFLT-RDJZCZTQSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCN(C)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001332732907 957695244 /nfs/dbraw/zinc/69/52/44/957695244.db2.gz UIQPMGCWMYGHNG-HNNXBMFYSA-N 2 0 279.428 1.130 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001494710346 972294939 /nfs/dbraw/zinc/29/49/39/972294939.db2.gz ZWWZJYXTNUEWCW-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)C(C)(C)C ZINC001332807037 957851868 /nfs/dbraw/zinc/85/18/68/957851868.db2.gz NMSDJLAQACBWMG-HNNXBMFYSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001333070316 958055035 /nfs/dbraw/zinc/05/50/35/958055035.db2.gz HVGDTYKPTBIXSY-XSCHDIRWSA-N 2 0 279.428 1.482 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001494901692 972332665 /nfs/dbraw/zinc/33/26/65/972332665.db2.gz VVZZOMXOEOZQHY-CABCVRRESA-N 2 0 299.434 1.775 10 30 CDEERP C#CC[NH+]1CC=C(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001333354734 958274856 /nfs/dbraw/zinc/27/48/56/958274856.db2.gz PDTQJNQKNCOXJR-INIZCTEOSA-N 2 0 289.423 1.242 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001318895619 958295267 /nfs/dbraw/zinc/29/52/67/958295267.db2.gz NWPSLVQLJAYZPO-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001319027459 958340024 /nfs/dbraw/zinc/34/00/24/958340024.db2.gz LSXILCMAJMUZJR-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001319268347 958466473 /nfs/dbraw/zinc/46/64/73/958466473.db2.gz ADFGEULZOLJSMO-ZIAGYGMSSA-N 2 0 267.417 1.246 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001495058024 972390630 /nfs/dbraw/zinc/39/06/30/972390630.db2.gz MAYRGQHNISXHDR-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCC=C)CC1 ZINC001322087349 960079312 /nfs/dbraw/zinc/07/93/12/960079312.db2.gz HKNNSZSEWFQJPT-AWEZNQCLSA-N 2 0 277.412 1.002 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001495379979 972484076 /nfs/dbraw/zinc/48/40/76/972484076.db2.gz PCHFBWVBRUFCQI-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001324002733 961102966 /nfs/dbraw/zinc/10/29/66/961102966.db2.gz AIQZPZSHVUJTQE-CQSZACIVSA-N 2 0 291.439 1.580 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC001344411817 964302712 /nfs/dbraw/zinc/30/27/12/964302712.db2.gz XTPCTLMHTRXBGY-JKSUJKDBSA-N 2 0 289.423 1.746 10 30 CDEERP C#CCN1CCC[C@H](NC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001558328633 965269554 /nfs/dbraw/zinc/26/95/54/965269554.db2.gz CLGGTHGBLCMQGP-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001480117719 967095376 /nfs/dbraw/zinc/09/53/76/967095376.db2.gz WIXPANHGDNOOHL-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001480283657 967287127 /nfs/dbraw/zinc/28/71/27/967287127.db2.gz MERJJJIWGYPDIO-GJZGRUSLSA-N 2 0 299.434 1.681 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001467727463 970093402 /nfs/dbraw/zinc/09/34/02/970093402.db2.gz HOEDPXYTIMAYNZ-GJZGRUSLSA-N 2 0 281.444 1.683 10 30 CDEERP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001569639138 1169948387 /nfs/dbraw/zinc/94/83/87/1169948387.db2.gz NDNQZJAHGINRRO-HOCLYGCPSA-N 2 0 297.418 1.270 10 30 CDEERP C=CCC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497241145 973258046 /nfs/dbraw/zinc/25/80/46/973258046.db2.gz LOFUFULTJUKHOH-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497241147 973258462 /nfs/dbraw/zinc/25/84/62/973258462.db2.gz LOFUFULTJUKHOH-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CCCF)CC1 ZINC001497331288 973288931 /nfs/dbraw/zinc/28/89/31/973288931.db2.gz LDZSANFBEMBLMT-AWEZNQCLSA-N 2 0 297.418 1.176 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001569683990 1169965659 /nfs/dbraw/zinc/96/56/59/1169965659.db2.gz VQACYJQXZDBDRG-WBVHZDCISA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001498158927 973717839 /nfs/dbraw/zinc/71/78/39/973717839.db2.gz LKWVIMPIHMMGOE-AWEZNQCLSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001374892395 974171024 /nfs/dbraw/zinc/17/10/24/974171024.db2.gz KWHADUIVBZJGDY-QWHCGFSZSA-N 2 0 287.835 1.708 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001499261927 974223635 /nfs/dbraw/zinc/22/36/35/974223635.db2.gz RIWPEYXWKOGOIY-HUUCEWRRSA-N 2 0 291.439 1.818 10 30 CDEERP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001569725910 1169975769 /nfs/dbraw/zinc/97/57/69/1169975769.db2.gz JJMBPNQGDIIWJB-WBVHZDCISA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001569725909 1169975851 /nfs/dbraw/zinc/97/58/51/1169975851.db2.gz JJMBPNQGDIIWJB-RDJZCZTQSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001499858414 974314886 /nfs/dbraw/zinc/31/48/86/974314886.db2.gz VVSTYDABEUAHNQ-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001501133116 974539498 /nfs/dbraw/zinc/53/94/98/974539498.db2.gz SIZVODHQVCCEOU-GJZGRUSLSA-N 2 0 293.455 1.588 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001505433750 974877225 /nfs/dbraw/zinc/87/72/25/974877225.db2.gz DOHZIPDECGSTIA-MRXNPFEDSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505920154 975043627 /nfs/dbraw/zinc/04/36/27/975043627.db2.gz HLCVRCAQJHPBFA-CQSZACIVSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001505996391 975076528 /nfs/dbraw/zinc/07/65/28/975076528.db2.gz FVRWGDPFLGQSJA-UONOGXRCSA-N 2 0 267.417 1.032 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001506063133 975104780 /nfs/dbraw/zinc/10/47/80/975104780.db2.gz LITGVVYVIPOVSK-CQSZACIVSA-N 2 0 289.423 1.984 10 30 CDEERP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001506576163 975181166 /nfs/dbraw/zinc/18/11/66/975181166.db2.gz QQUPXJWXPAZOQD-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001507402252 975454249 /nfs/dbraw/zinc/45/42/49/975454249.db2.gz XCAQITYTPJISSA-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401704649 975816397 /nfs/dbraw/zinc/81/63/97/975816397.db2.gz AHRQMVYIHDYPQH-PWSUYJOCSA-N 2 0 273.808 1.175 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001390535970 976356338 /nfs/dbraw/zinc/35/63/38/976356338.db2.gz GNUDFMFBYRNZRW-QWHCGFSZSA-N 2 0 287.835 1.708 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001569829364 1170008892 /nfs/dbraw/zinc/00/88/92/1170008892.db2.gz XULGVSKEPAIXIT-KBPBESRZSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(C)CC[N@@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001492819305 977769010 /nfs/dbraw/zinc/76/90/10/977769010.db2.gz QMHHPBXVYFJVFE-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001674839842 1174014376 /nfs/dbraw/zinc/01/43/76/1174014376.db2.gz NGDCROAKEBFCMN-AWEZNQCLSA-N 2 0 281.444 1.280 10 30 CDEERP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001675141159 1174078826 /nfs/dbraw/zinc/07/88/26/1174078826.db2.gz VPZVGGYTQQGBQA-HZPDHXFCSA-N 2 0 295.471 1.813 10 30 CDEERP C#CCC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001676814942 1174276895 /nfs/dbraw/zinc/27/68/95/1174276895.db2.gz KEDHWYZDJYHWSU-DOTOQJQBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001676886388 1174285642 /nfs/dbraw/zinc/28/56/42/1174285642.db2.gz JDXRWKFIHXJWBZ-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH+]1CCC([C@@H](C)NC(=O)CC[N@@H+](C)CC)CC1 ZINC001571645539 1170507195 /nfs/dbraw/zinc/50/71/95/1170507195.db2.gz JQTQIDBUYNSTLR-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001656234579 1171796267 /nfs/dbraw/zinc/79/62/67/1171796267.db2.gz JACKIIMMLHNCFJ-BZUAXINKSA-N 2 0 293.455 1.779 10 30 CDEERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437666 342905987 /nfs/dbraw/zinc/90/59/87/342905987.db2.gz KKQYZAZONYWSMF-CHWSQXEVSA-N 2 0 268.405 1.244 10 30 CDEERP CC(C)[NH+](CCNC(=O)[C@H]([NH3+])CCCCC#N)C(C)C ZINC000594446029 342908664 /nfs/dbraw/zinc/90/86/64/342908664.db2.gz OWZUPGIMEBYQCD-CQSZACIVSA-N 2 0 282.432 1.633 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000594436987 342903803 /nfs/dbraw/zinc/90/38/03/342903803.db2.gz RVUUMKAEJKLVIW-CQSZACIVSA-N 2 0 272.352 1.640 10 30 CDEERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595842572 343172989 /nfs/dbraw/zinc/17/29/89/343172989.db2.gz FQSJQVKYRXFUCY-MRXNPFEDSA-N 2 0 278.444 1.638 10 30 CDEERP C[NH+](C)CCC[C@@H]1CN(Cc2ccc(C#N)cn2)CCO1 ZINC000595905326 343188409 /nfs/dbraw/zinc/18/84/09/343188409.db2.gz BRSAXKSYJYRQHS-MRXNPFEDSA-N 2 0 288.395 1.496 10 30 CDEERP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCOCCC[NH3+] ZINC000600710049 349875826 /nfs/dbraw/zinc/87/58/26/349875826.db2.gz NOQZKVAKNSSPEG-MRXNPFEDSA-N 2 0 273.380 1.891 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001660330707 1172197172 /nfs/dbraw/zinc/19/71/72/1172197172.db2.gz WHOHLMUZMMYQIU-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247197240 361033286 /nfs/dbraw/zinc/03/32/86/361033286.db2.gz WXNGMKLJMKYEMH-OCCSQVGLSA-N 2 0 276.384 1.347 10 30 CDEERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528399987 367826120 /nfs/dbraw/zinc/82/61/20/367826120.db2.gz MIKXKUZYXLFUQS-HUUCEWRRSA-N 2 0 279.428 1.705 10 30 CDEERP CC[NH+](CC#CC[N@@H+](CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361597554 368927027 /nfs/dbraw/zinc/92/70/27/368927027.db2.gz ZDZRYHPWFRSFJD-IYBDPMFKSA-N 2 0 280.412 1.211 10 30 CDEERP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195515665 376001913 /nfs/dbraw/zinc/00/19/13/376001913.db2.gz MPOMDAYERIJXKB-ZDUSSCGKSA-N 2 0 274.368 1.118 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCC(C)C)CC1 ZINC001662423452 1172546175 /nfs/dbraw/zinc/54/61/75/1172546175.db2.gz DADUGNKXXKWBPE-OAHLLOKOSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001663457281 1172698805 /nfs/dbraw/zinc/69/88/05/1172698805.db2.gz HTKAPAYTFRBVIP-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP CC[N@@H+]1CC[C@H]([NH+](C)CCOCCC#N)C[C@@H]1C ZINC000339009743 391241210 /nfs/dbraw/zinc/24/12/10/391241210.db2.gz ICNYDYKSNPHLKS-KBPBESRZSA-N 2 0 253.390 1.721 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[NH+](CC)CC)CCC[NH2+]1 ZINC000662659755 413262894 /nfs/dbraw/zinc/26/28/94/413262894.db2.gz OTTYERURJNQMEN-AWEZNQCLSA-N 2 0 253.390 1.143 10 30 CDEERP C=CC[C@]1(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCC[NH2+]1 ZINC000662743905 413417194 /nfs/dbraw/zinc/41/71/94/413417194.db2.gz APTMYGDDHVWUEC-IIAWOOMASA-N 2 0 279.428 1.626 10 30 CDEERP C=CC[C@@]1(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCC[NH2+]1 ZINC000662769478 413465553 /nfs/dbraw/zinc/46/55/53/413465553.db2.gz FFNVFTJHLGOQAD-KRWDZBQOSA-N 2 0 285.391 1.604 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659449935 413837389 /nfs/dbraw/zinc/83/73/89/413837389.db2.gz BNNOYKXUUQPVNK-UHFFFAOYSA-N 2 0 292.427 1.078 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCC[C@H](O)C2)s1 ZINC000043683962 175091926 /nfs/dbraw/zinc/09/19/26/175091926.db2.gz KRISYPSITNYBND-NSHDSACASA-N 2 0 250.367 1.015 10 30 CDEERP N#Cc1ccc(OCC[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044530069 175194969 /nfs/dbraw/zinc/19/49/69/175194969.db2.gz UCTFWTMAHSWHAE-AWEZNQCLSA-N 2 0 259.353 1.608 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001666606293 1173160318 /nfs/dbraw/zinc/16/03/18/1173160318.db2.gz YJGAUIWGSWMJAQ-CVEARBPZSA-N 2 0 293.455 1.474 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H](CC)[NH+](C)C ZINC001669137888 1173508787 /nfs/dbraw/zinc/50/87/87/1173508787.db2.gz FTKAYOMNLDUYPT-NNNHXZLVSA-N 2 0 273.808 1.341 10 30 CDEERP CC#CC[NH+]1CCC(C)(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001671415911 1173680915 /nfs/dbraw/zinc/68/09/15/1173680915.db2.gz RXOJWKIMJRDJKB-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001673928569 1173899857 /nfs/dbraw/zinc/89/98/57/1173899857.db2.gz JFXFQUXVZKIYKJ-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N[C@@H]1C[C@@H]1C ZINC000262698139 330027893 /nfs/dbraw/zinc/02/78/93/330027893.db2.gz FLXVONMPWOVPBY-RWMBFGLXSA-N 2 0 252.406 1.292 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CC12CCCC2 ZINC000263270283 330051296 /nfs/dbraw/zinc/05/12/96/330051296.db2.gz OYZOCQAENICIFY-CHWSQXEVSA-N 2 0 264.417 1.708 10 30 CDEERP C=CCOc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1Cl ZINC000263288532 330051859 /nfs/dbraw/zinc/05/18/59/330051859.db2.gz VKJXHNHRTGXOHQ-OCCSQVGLSA-N 2 0 296.798 1.575 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482354209 1160169382 /nfs/dbraw/zinc/16/93/82/1160169382.db2.gz PDFDSWGVDCYFLO-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[C@H](CO)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000680485193 483635065 /nfs/dbraw/zinc/63/50/65/483635065.db2.gz VINZJICNOKLZQV-OAHLLOKOSA-N 2 0 278.396 1.654 10 30 CDEERP C=CCC[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001486448489 1161455434 /nfs/dbraw/zinc/45/54/34/1161455434.db2.gz PLXSZJWIJMRANQ-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001714677428 1179317929 /nfs/dbraw/zinc/31/79/29/1179317929.db2.gz TUQLHVJXOLUCEF-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001717472309 1180692455 /nfs/dbraw/zinc/69/24/55/1180692455.db2.gz KZRSCXRGDOIKSI-GJZGRUSLSA-N 2 0 279.428 1.319 10 30 CDEERP C[NH+]=C(N[C@@H]1C[C@@H]1C)NC1CC[NH+](C(C)C)CC1 ZINC000114090856 526394162 /nfs/dbraw/zinc/39/41/62/526394162.db2.gz OPLNJBSHVNSNQC-WCQYABFASA-N 2 0 252.406 1.433 10 30 CDEERP [NH3+]CC#Cc1cc(C[N@@H+]2CCCC[C@@H]2CO)ccc1F ZINC000049609793 527146347 /nfs/dbraw/zinc/14/63/47/527146347.db2.gz GDZCBXHPESIUQC-OAHLLOKOSA-N 2 0 276.355 1.483 10 30 CDEERP C[C@@H]1C[N@H+](Cc2ccccc2)CCC1N=NC(N)=[NH2+] ZINC000734362084 575339241 /nfs/dbraw/zinc/33/92/41/575339241.db2.gz LFGTVYDOVISSAF-LLVKDONJSA-N 2 0 259.357 1.367 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC)C(C)C)CC1 ZINC001689970469 1175326309 /nfs/dbraw/zinc/32/63/09/1175326309.db2.gz QKOGLRRFTLOQTN-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001690215432 1175405063 /nfs/dbraw/zinc/40/50/63/1175405063.db2.gz POIUZSMTFQPHPA-IYBDPMFKSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940618161 613335552 /nfs/dbraw/zinc/33/55/52/613335552.db2.gz PHUBXVZYZROFDG-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCN(C)CCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000926491672 617899405 /nfs/dbraw/zinc/89/94/05/617899405.db2.gz YWWZSAPGSZPLKW-CVEARBPZSA-N 2 0 264.413 1.736 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000900241437 622822400 /nfs/dbraw/zinc/82/24/00/622822400.db2.gz STAHBPIRNSNQOQ-ZIAGYGMSSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000900539651 623218951 /nfs/dbraw/zinc/21/89/51/623218951.db2.gz DRJKBBYEGOJHKW-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000900892102 623614009 /nfs/dbraw/zinc/61/40/09/623614009.db2.gz VINLUMZSZOQZOO-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000908422692 628191313 /nfs/dbraw/zinc/19/13/13/628191313.db2.gz IJEOPAGYULMCQB-INIZCTEOSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCC[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001691990104 1158677080 /nfs/dbraw/zinc/67/70/80/1158677080.db2.gz VEVZABSDARVGBD-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001699974313 1158870100 /nfs/dbraw/zinc/87/01/00/1158870100.db2.gz ZQKDNJWXMGYCGM-JKSUJKDBSA-N 2 0 293.455 1.426 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001700075044 1158910436 /nfs/dbraw/zinc/91/04/36/1158910436.db2.gz AAAJMGVHYMMVMF-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001266860033 1158913130 /nfs/dbraw/zinc/91/31/30/1158913130.db2.gz VQKCBTSGCOMJOT-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001691395596 1159048482 /nfs/dbraw/zinc/04/84/82/1159048482.db2.gz LKVKBSVZCCWEIW-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@@H](F)CC)CC1 ZINC001731988708 1159554969 /nfs/dbraw/zinc/55/49/69/1159554969.db2.gz ZREJPTZTVDQUOQ-HNNXBMFYSA-N 2 0 297.418 1.128 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001622172115 1165717527 /nfs/dbraw/zinc/71/75/27/1165717527.db2.gz PXXWBKOLKHIYQP-KGLIPLIRSA-N 2 0 265.401 1.047 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001566940064 1168475818 /nfs/dbraw/zinc/47/58/18/1168475818.db2.gz WXDMHXVIPOPKJR-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001568113811 1169138775 /nfs/dbraw/zinc/13/87/75/1169138775.db2.gz YBTWHVZJIBXMEY-WKILWMFISA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568172089 1169160241 /nfs/dbraw/zinc/16/02/41/1169160241.db2.gz NQUTWPUMKFQWLX-GOEBONIOSA-N 2 0 293.455 1.636 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001568192443 1169170823 /nfs/dbraw/zinc/17/08/23/1169170823.db2.gz WPHJLXWTFHHIIV-HUUCEWRRSA-N 2 0 279.428 1.084 10 30 CDEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CC)CC1 ZINC001569596040 1169932422 /nfs/dbraw/zinc/93/24/22/1169932422.db2.gz LCIOZRMKXYUEQV-UHFFFAOYSA-N 2 0 277.412 1.028 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001570644600 1170221722 /nfs/dbraw/zinc/22/17/22/1170221722.db2.gz PZVACAWCPFNELK-KGLIPLIRSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001571126130 1170339006 /nfs/dbraw/zinc/33/90/06/1170339006.db2.gz SAXQPBPYTKXOLT-SHTZXODSSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001571488706 1170452253 /nfs/dbraw/zinc/45/22/53/1170452253.db2.gz GYXYSGDRHHZICP-CVEARBPZSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001661673936 1172425567 /nfs/dbraw/zinc/42/55/67/1172425567.db2.gz LGKMFFNGGCASSB-LVQVYYBASA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001662649074 1172575133 /nfs/dbraw/zinc/57/51/33/1172575133.db2.gz DQLOKAJYJSKJMX-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001666173090 1173116129 /nfs/dbraw/zinc/11/61/29/1173116129.db2.gz QMRAWOPWCCACMN-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001670275646 1173669579 /nfs/dbraw/zinc/66/95/79/1173669579.db2.gz OJIBNSYIHXVRCE-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001671805514 1173714056 /nfs/dbraw/zinc/71/40/56/1173714056.db2.gz SPSGECISFAVPCW-KRWDZBQOSA-N 2 0 293.455 1.570 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001673492178 1173864388 /nfs/dbraw/zinc/86/43/88/1173864388.db2.gz ZENNKYVOELFWNJ-HOTGVXAUSA-N 2 0 293.455 1.663 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001675363954 1174107145 /nfs/dbraw/zinc/10/71/45/1174107145.db2.gz QGRDOYJMYKRXHM-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001690559129 1175500448 /nfs/dbraw/zinc/50/04/48/1175500448.db2.gz HQCXXZQPNZKHND-WBVHZDCISA-N 2 0 299.418 1.227 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001690587783 1175513208 /nfs/dbraw/zinc/51/32/08/1175513208.db2.gz XYQMIPBSHHDNJR-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001690708589 1175552645 /nfs/dbraw/zinc/55/26/45/1175552645.db2.gz UMJNNCHYTNEWGM-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001690721750 1175556402 /nfs/dbraw/zinc/55/64/02/1175556402.db2.gz RGWOYSXSGKJTGB-OAHLLOKOSA-N 2 0 289.423 1.076 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001690849507 1175591330 /nfs/dbraw/zinc/59/13/30/1175591330.db2.gz DLMIHKIKZBDLLI-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001698549098 1175834024 /nfs/dbraw/zinc/83/40/24/1175834024.db2.gz UNCNBCHMWKWEOB-AWEZNQCLSA-N 2 0 265.401 1.239 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001698579188 1175853533 /nfs/dbraw/zinc/85/35/33/1175853533.db2.gz XCSZQRZMKPFJRJ-MRXNPFEDSA-N 2 0 291.439 1.418 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001698970612 1176001230 /nfs/dbraw/zinc/00/12/30/1176001230.db2.gz AUSRHSYNJGSRDH-LSDHHAIUSA-N 2 0 279.428 1.082 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001699592687 1176491721 /nfs/dbraw/zinc/49/17/21/1176491721.db2.gz MGPOZKJRYRTYJE-HIFRSBDPSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001699949082 1176692594 /nfs/dbraw/zinc/69/25/94/1176692594.db2.gz BKPJXHXMUULQGF-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001699971739 1176702154 /nfs/dbraw/zinc/70/21/54/1176702154.db2.gz YVKXGGPKLSNDEC-ZBFHGGJFSA-N 2 0 293.455 1.588 10 30 CDEERP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001700020407 1176722064 /nfs/dbraw/zinc/72/20/64/1176722064.db2.gz SYSUDMKNPOKJID-JKSUJKDBSA-N 2 0 291.439 1.273 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001700154204 1176775495 /nfs/dbraw/zinc/77/54/95/1176775495.db2.gz DOWVBCSBISWVAV-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001700180979 1176784077 /nfs/dbraw/zinc/78/40/77/1176784077.db2.gz MGEWOWADXHNESQ-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001700180913 1176784246 /nfs/dbraw/zinc/78/42/46/1176784246.db2.gz LIDCTQRCCJIGER-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001700887618 1177180303 /nfs/dbraw/zinc/18/03/03/1177180303.db2.gz JXDAGXNSJNGJDA-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001700989106 1177227619 /nfs/dbraw/zinc/22/76/19/1177227619.db2.gz WNLOFPXWTJOMQP-AWEZNQCLSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001700997123 1177231008 /nfs/dbraw/zinc/23/10/08/1177231008.db2.gz AJDQHHVIEOBXSU-KGLIPLIRSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001707114702 1177954231 /nfs/dbraw/zinc/95/42/31/1177954231.db2.gz UJXRKVQNUODTSE-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[N@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001712954885 1178264272 /nfs/dbraw/zinc/26/42/72/1178264272.db2.gz UWAVYJTVJNXVGF-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCF ZINC001713263251 1178458138 /nfs/dbraw/zinc/45/81/38/1178458138.db2.gz GNQLBCIHDFSWNJ-CABCVRRESA-N 2 0 295.402 1.024 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713311159 1178490325 /nfs/dbraw/zinc/49/03/25/1178490325.db2.gz JYNDAMVGNCRLDB-HIFRSBDPSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713329029 1178500466 /nfs/dbraw/zinc/50/04/66/1178500466.db2.gz XGRAYZVAURSVPH-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001713343706 1178511618 /nfs/dbraw/zinc/51/16/18/1178511618.db2.gz ZNQVEAQEXWVOMR-GJZGRUSLSA-N 2 0 297.418 1.128 10 30 CDEERP C=C(C)CC[N@H+](CCC)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001713544164 1178636369 /nfs/dbraw/zinc/63/63/69/1178636369.db2.gz HZALDNXBXWUMCD-HNNXBMFYSA-N 2 0 297.443 1.111 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C[NH+](C)C1CCC1)C(C)C ZINC001713689766 1178711302 /nfs/dbraw/zinc/71/13/02/1178711302.db2.gz TWJKXPDVGXMAKS-UHFFFAOYSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001713742112 1178732083 /nfs/dbraw/zinc/73/20/83/1178732083.db2.gz RTDWLJMSLZBPDN-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001714108239 1178976178 /nfs/dbraw/zinc/97/61/78/1178976178.db2.gz WJEOVOZUYGHLJC-LSDHHAIUSA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001714354859 1179102807 /nfs/dbraw/zinc/10/28/07/1179102807.db2.gz URMOBNUMHFRDIO-OAHLLOKOSA-N 2 0 291.439 1.629 10 30 CDEERP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001714622208 1179274378 /nfs/dbraw/zinc/27/43/78/1179274378.db2.gz RYAKHRATPCTOTM-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(C)C ZINC001714832841 1179413923 /nfs/dbraw/zinc/41/39/23/1179413923.db2.gz NCGJZPJQEZSMCZ-HZPDHXFCSA-N 2 0 293.455 1.709 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001714839052 1179417410 /nfs/dbraw/zinc/41/74/10/1179417410.db2.gz FBJZWGXIJHMIAX-MRXNPFEDSA-N 2 0 285.391 1.163 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001715007187 1179504846 /nfs/dbraw/zinc/50/48/46/1179504846.db2.gz AXJCIEHNUMMKPT-HUUCEWRRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001715521752 1179697503 /nfs/dbraw/zinc/69/75/03/1179697503.db2.gz XLFOHDUTLFGSLM-MRXNPFEDSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001715539567 1179709148 /nfs/dbraw/zinc/70/91/48/1179709148.db2.gz LNHGGRNRZCMEJI-KBPBESRZSA-N 2 0 267.417 1.435 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715652796 1179753612 /nfs/dbraw/zinc/75/36/12/1179753612.db2.gz KQTKZRMFVZAUHF-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[N@H+](C)CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001716011215 1179982805 /nfs/dbraw/zinc/98/28/05/1179982805.db2.gz ABZRMGDZZPKIBP-UHFFFAOYSA-N 2 0 293.455 1.666 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001716170910 1180081853 /nfs/dbraw/zinc/08/18/53/1180081853.db2.gz UKTVHNMHNKAQNE-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001716244585 1180118242 /nfs/dbraw/zinc/11/82/42/1180118242.db2.gz ZDMWGZGXQHYIQD-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001716513706 1180263262 /nfs/dbraw/zinc/26/32/62/1180263262.db2.gz GMTJQRLGMQLMED-ZBFHGGJFSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001716824511 1180425865 /nfs/dbraw/zinc/42/58/65/1180425865.db2.gz FAERSLYVVZGQRA-JKSUJKDBSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001716971688 1180486505 /nfs/dbraw/zinc/48/65/05/1180486505.db2.gz QHPYLEXNKRDHRH-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001717098738 1180530290 /nfs/dbraw/zinc/53/02/90/1180530290.db2.gz HSFZXFFCOKOPRI-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001717652182 1180776395 /nfs/dbraw/zinc/77/63/95/1180776395.db2.gz HHNBKVCQLIRNQB-KLHDSHLOSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001717729305 1180813326 /nfs/dbraw/zinc/81/33/26/1180813326.db2.gz ZYQFRAWQXXJGRU-GJZGRUSLSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2cncn2C)C1 ZINC001717825335 1180881559 /nfs/dbraw/zinc/88/15/59/1180881559.db2.gz FDJCMEZHPISOGN-UONOGXRCSA-N 2 0 290.411 1.508 10 30 CDEERP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001717841718 1180889404 /nfs/dbraw/zinc/88/94/04/1180889404.db2.gz URRIVVBFMDXPGQ-NVXWUHKLSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001723888573 1181619601 /nfs/dbraw/zinc/61/96/01/1181619601.db2.gz MWGDWWAGMTVQIS-KBPBESRZSA-N 2 0 265.401 1.237 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001725068813 1181843714 /nfs/dbraw/zinc/84/37/14/1181843714.db2.gz LGXAMMGLXOJLQQ-PCKAHOCUSA-N 2 0 291.439 1.226 10 30 CDEERP CC#CC[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001725259270 1181943076 /nfs/dbraw/zinc/94/30/76/1181943076.db2.gz ZXKCIEBHRCQZEN-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001725445566 1182002204 /nfs/dbraw/zinc/00/22/04/1182002204.db2.gz TVPWVJWYUILUEI-MRXNPFEDSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001725626301 1182076101 /nfs/dbraw/zinc/07/61/01/1182076101.db2.gz NVVPPDNBTDBMDS-OWCLPIDISA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001732126982 1182790794 /nfs/dbraw/zinc/79/07/94/1182790794.db2.gz SRFHAYMOWDSAQR-CQSZACIVSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001732278779 1182892794 /nfs/dbraw/zinc/89/27/94/1182892794.db2.gz GFBPGFCZCMHVOQ-RDJZCZTQSA-N 2 0 291.439 1.389 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001732507647 1182992012 /nfs/dbraw/zinc/99/20/12/1182992012.db2.gz JBVQTLIDEOYXJR-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732581905 1183027063 /nfs/dbraw/zinc/02/70/63/1183027063.db2.gz SZZVPNPIBBJROT-ZIAGYGMSSA-N 2 0 267.417 1.293 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001733143079 1183306186 /nfs/dbraw/zinc/30/61/86/1183306186.db2.gz BOFWDVOVQLJLRC-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001733182852 1183321739 /nfs/dbraw/zinc/32/17/39/1183321739.db2.gz AWGKDVCOUFMXHR-GDBMZVCRSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001733937816 1183575788 /nfs/dbraw/zinc/57/57/88/1183575788.db2.gz LWHVIVMIEAPEFK-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)C[NH+]1CCC(C)CC1 ZINC001734097179 1183656537 /nfs/dbraw/zinc/65/65/37/1183656537.db2.gz MOIUYIXLISHAKW-MRXNPFEDSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001734286566 1183713646 /nfs/dbraw/zinc/71/36/46/1183713646.db2.gz SBZKJNSYRLNPMO-JKSUJKDBSA-N 2 0 291.439 1.082 10 30 CDEERP CNC(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)=[NH+]C ZINC000864358008 1164532615 /nfs/dbraw/zinc/53/26/15/1164532615.db2.gz DEBFZKXFZQWEKM-ZDUSSCGKSA-N 2 0 252.406 1.578 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317851604 1164777318 /nfs/dbraw/zinc/77/73/18/1164777318.db2.gz BMFVLKLWUBMIJG-HNNXBMFYSA-N 2 0 295.471 1.931 10 30 CDEERP C=C(C)C[C@H](CO)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000925769187 782330757 /nfs/dbraw/zinc/33/07/57/782330757.db2.gz BMXATTACEHQMGM-ZIAGYGMSSA-N 2 0 298.427 1.225 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000877159813 783156579 /nfs/dbraw/zinc/15/65/79/783156579.db2.gz MCJXJBXLTLOVOB-KGLIPLIRSA-N 2 0 295.814 1.533 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CC[NH+](CC)CC1 ZINC000876735380 780301041 /nfs/dbraw/zinc/30/10/41/780301041.db2.gz NCRVDDCJZARNAJ-GFCCVEGCSA-N 2 0 273.808 1.304 10 30 CDEERP N#CCN1CCC([NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925608846 780852337 /nfs/dbraw/zinc/85/23/37/780852337.db2.gz KREXGRCRQFAFQD-AWEZNQCLSA-N 2 0 262.401 1.239 10 30 CDEERP CC(C)[NH+](CCNC(=[NH2+])NC[C@@H]1CCCO1)C(C)C ZINC000195522193 783326210 /nfs/dbraw/zinc/32/62/10/783326210.db2.gz KUTCBURSJVVYPA-ZDUSSCGKSA-N 2 0 270.421 1.189 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1CC ZINC001569342116 1167556605 /nfs/dbraw/zinc/55/66/05/1167556605.db2.gz FRFXKKDQPRRCFG-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001571002673 1167587527 /nfs/dbraw/zinc/58/75/27/1167587527.db2.gz SEXYWGVIEBLIIP-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001566910425 1168042151 /nfs/dbraw/zinc/04/21/51/1168042151.db2.gz SOAMFDJYEJQDJK-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001566807422 1168429735 /nfs/dbraw/zinc/42/97/35/1168429735.db2.gz HWMKYNQYXRJONQ-WKILWMFISA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001566879180 1168455843 /nfs/dbraw/zinc/45/58/43/1168455843.db2.gz HEWRKYKLCDXEIS-HZPDHXFCSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001567234174 1168633371 /nfs/dbraw/zinc/63/33/71/1168633371.db2.gz MUPCXVDBNVZIJU-AWEZNQCLSA-N 2 0 297.443 1.158 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001483742507 913570749 /nfs/dbraw/zinc/57/07/49/913570749.db2.gz KYFYHENMUWKFJO-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266311823 894339111 /nfs/dbraw/zinc/33/91/11/894339111.db2.gz JSVBAJLZFMNZHC-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001266350514 894504733 /nfs/dbraw/zinc/50/47/33/894504733.db2.gz VEXOKCZYDDAKDJ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001266517482 895196571 /nfs/dbraw/zinc/19/65/71/895196571.db2.gz KICUVBJWKKTRGP-LSDHHAIUSA-N 2 0 297.418 1.128 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001266567631 895391996 /nfs/dbraw/zinc/39/19/96/895391996.db2.gz LPLNKYQCJMQYBP-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001266804534 896077689 /nfs/dbraw/zinc/07/76/89/896077689.db2.gz JMMPOZMSWPEAMM-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC=C)C2)CC1 ZINC001267026049 896590400 /nfs/dbraw/zinc/59/04/00/896590400.db2.gz CKRUSHIKQKPKRX-INIZCTEOSA-N 2 0 289.423 1.098 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267069341 896683451 /nfs/dbraw/zinc/68/34/51/896683451.db2.gz UNHGWDMXKNUBIX-CQSZACIVSA-N 2 0 265.401 1.096 10 30 CDEERP C=CC[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001267307158 897547531 /nfs/dbraw/zinc/54/75/31/897547531.db2.gz MQPHKRYASCICBZ-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001567588836 1168876428 /nfs/dbraw/zinc/87/64/28/1168876428.db2.gz XPESABAANLOFTB-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267969394 900115069 /nfs/dbraw/zinc/11/50/69/900115069.db2.gz GTPRWEUZKGWOBV-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001481303072 900274095 /nfs/dbraw/zinc/27/40/95/900274095.db2.gz VAYBHXCXGUIHAZ-GFCCVEGCSA-N 2 0 273.808 1.129 10 30 CDEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001481330157 900427360 /nfs/dbraw/zinc/42/73/60/900427360.db2.gz YEZKTNIMZZBLMB-HOCLYGCPSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001481354126 900482532 /nfs/dbraw/zinc/48/25/32/900482532.db2.gz XYNKIKDYYIXJQW-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481407427 900574515 /nfs/dbraw/zinc/57/45/15/900574515.db2.gz DAIVYINDIVCMJZ-GJZGRUSLSA-N 2 0 281.444 1.826 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001268216252 901586879 /nfs/dbraw/zinc/58/68/79/901586879.db2.gz IWBNQYZZFRLLLT-HUUCEWRRSA-N 2 0 281.444 1.326 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001268216253 901587750 /nfs/dbraw/zinc/58/77/50/901587750.db2.gz IWBNQYZZFRLLLT-LSDHHAIUSA-N 2 0 281.444 1.326 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001268218544 901592354 /nfs/dbraw/zinc/59/23/54/901592354.db2.gz JHQKNNCBAWXKJC-HOTGVXAUSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001268560544 902567131 /nfs/dbraw/zinc/56/71/31/902567131.db2.gz YFOJUJZTTNXLIJ-AATRIKPKSA-N 2 0 296.374 1.542 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001284195365 902667988 /nfs/dbraw/zinc/66/79/88/902667988.db2.gz JZPDJIFACPIFQD-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001268687086 902965359 /nfs/dbraw/zinc/96/53/59/902965359.db2.gz XFQMPDXNAZGJKA-MELADBBJSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1CC ZINC001269180803 903511386 /nfs/dbraw/zinc/51/13/86/903511386.db2.gz FNTRHKFSSOXMCU-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001269454723 903823622 /nfs/dbraw/zinc/82/36/22/903823622.db2.gz QDHPOYBDWICDRX-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001269963405 904238051 /nfs/dbraw/zinc/23/80/51/904238051.db2.gz ZDEUFDYLOGCAGH-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001271181993 906150328 /nfs/dbraw/zinc/15/03/28/906150328.db2.gz PNOFYVFFKOKHEM-UONOGXRCSA-N 2 0 267.417 1.032 10 30 CDEERP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001496734242 906849647 /nfs/dbraw/zinc/84/96/47/906849647.db2.gz CTESLBHDHZTUPD-MRXNPFEDSA-N 2 0 293.455 1.520 10 30 CDEERP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CCC1(C)C ZINC000712620712 909575270 /nfs/dbraw/zinc/57/52/70/909575270.db2.gz BEGUTWYACUEKCN-CYBMUJFWSA-N 2 0 280.416 1.340 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001273018761 921568612 /nfs/dbraw/zinc/56/86/12/921568612.db2.gz OIGQNRYJNHXZOG-CQSZACIVSA-N 2 0 281.444 1.472 10 30 CDEERP CCO[C@H](CNCc1ccc(OC)c(C#N)c1)C[NH+](C)C ZINC000922757342 921791379 /nfs/dbraw/zinc/79/13/79/921791379.db2.gz DXFWNCJGTYVQLI-OAHLLOKOSA-N 2 0 291.395 1.623 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001485094912 916509331 /nfs/dbraw/zinc/50/93/31/916509331.db2.gz OTQXKSJZVTXCIS-NRXISQOPSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCCC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485351574 916871363 /nfs/dbraw/zinc/87/13/63/916871363.db2.gz VGZCHOGLVGOWAL-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2ccnc2C)C1 ZINC001486129911 920734579 /nfs/dbraw/zinc/73/45/79/920734579.db2.gz RYVNYSUNXQEDNT-HIFRSBDPSA-N 2 0 290.411 1.737 10 30 CDEERP C[NH+](C)CC1(O)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000710670701 923259580 /nfs/dbraw/zinc/25/95/80/923259580.db2.gz BRTATDWDTLWBBJ-UHFFFAOYSA-N 2 0 272.392 1.427 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001491153606 936865888 /nfs/dbraw/zinc/86/58/88/936865888.db2.gz XENWXFHGZFRUPR-BZUAXINKSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001649461784 1169264591 /nfs/dbraw/zinc/26/45/91/1169264591.db2.gz HHEYQYCZBWSDLN-UONOGXRCSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001489239536 926851778 /nfs/dbraw/zinc/85/17/78/926851778.db2.gz GCBXGAAOKXGGNW-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH+]1CCC(N(CCC)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001490623959 927260696 /nfs/dbraw/zinc/26/06/96/927260696.db2.gz XFTNXLMXYFZWBF-UHFFFAOYSA-N 2 0 293.455 1.663 10 30 CDEERP CC[N@@H+]1CC[C@H](N(C)C(=O)C#CC2CC[NH2+]CC2)C[C@H]1C ZINC000852870407 927902208 /nfs/dbraw/zinc/90/22/08/927902208.db2.gz NPBCNNZZAGZGLP-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCC[NH2+]1 ZINC000852871762 927905466 /nfs/dbraw/zinc/90/54/66/927905466.db2.gz WJDBHFBHBOKLBK-IJEWVQPXSA-N 2 0 279.428 1.674 10 30 CDEERP C#CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856592204 928612220 /nfs/dbraw/zinc/61/22/20/928612220.db2.gz GIXYTNAGLQACEH-INIZCTEOSA-N 2 0 273.380 1.620 10 30 CDEERP CCC[NH+]1CCC(CNC(=[NH2+])N2CCSCC2)CC1 ZINC000104177544 931323328 /nfs/dbraw/zinc/32/33/28/931323328.db2.gz AWHSEDCFPHARCY-UHFFFAOYSA-N 2 0 284.473 1.472 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001274773462 931573441 /nfs/dbraw/zinc/57/34/41/931573441.db2.gz NVORFDDJDIGJFP-LLVKDONJSA-N 2 0 281.425 1.704 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001274785889 931576891 /nfs/dbraw/zinc/57/68/91/931576891.db2.gz FMIRKEUGPZTGSA-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001275331686 931737049 /nfs/dbraw/zinc/73/70/49/931737049.db2.gz ORPBITSBRMLZKZ-GPANFISMSA-N 2 0 291.439 1.224 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001275710144 931971405 /nfs/dbraw/zinc/97/14/05/931971405.db2.gz OLHMSMFKJJMKJU-OAHLLOKOSA-N 2 0 295.471 1.670 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)CCC ZINC001275804097 932051218 /nfs/dbraw/zinc/05/12/18/932051218.db2.gz DRYYWZCWQCGQJB-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001276013431 932236560 /nfs/dbraw/zinc/23/65/60/932236560.db2.gz XUPLBRDHCGXHBO-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001490831879 932758992 /nfs/dbraw/zinc/75/89/92/932758992.db2.gz ILSAMEJIGOHVKT-AWEZNQCLSA-N 2 0 277.412 1.381 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH2+]C ZINC001122243159 937915215 /nfs/dbraw/zinc/91/52/15/937915215.db2.gz SOGBUOPRLYXQNO-WDEREUQCSA-N 2 0 259.781 1.057 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001277094495 941944851 /nfs/dbraw/zinc/94/48/51/941944851.db2.gz XEASWPPCWKDGAD-HUUCEWRRSA-N 2 0 289.423 1.265 10 30 CDEERP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001280394233 942433801 /nfs/dbraw/zinc/43/38/01/942433801.db2.gz FYHXOABMJMKTLM-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001281531218 942589920 /nfs/dbraw/zinc/58/99/20/942589920.db2.gz XEZWYMWVCUONJR-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP C#CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001283296470 942873647 /nfs/dbraw/zinc/87/36/47/942873647.db2.gz JOBCUHKIQJKZDT-HNNXBMFYSA-N 2 0 277.412 1.027 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001264373068 944117270 /nfs/dbraw/zinc/11/72/70/944117270.db2.gz RBRHSVXQIYTYSG-KGLIPLIRSA-N 2 0 267.417 1.435 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001264393973 944125803 /nfs/dbraw/zinc/12/58/03/944125803.db2.gz RTKKTEIJZCUIIK-OWCLPIDISA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001264553649 944149003 /nfs/dbraw/zinc/14/90/03/944149003.db2.gz VHWYSDKTKLNONO-QLFBSQMISA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265230901 944289505 /nfs/dbraw/zinc/28/95/05/944289505.db2.gz NVUFWHHXHQTILV-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001265416409 944377061 /nfs/dbraw/zinc/37/70/61/944377061.db2.gz ZISHEVBOLAZUID-OAGGEKHMSA-N 2 0 291.439 1.580 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001265540523 944421687 /nfs/dbraw/zinc/42/16/87/944421687.db2.gz URVWWYLURBIDTD-XHSDSOJGSA-N 2 0 291.439 1.531 10 30 CDEERP C#CC[N@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001265653522 944457991 /nfs/dbraw/zinc/45/79/91/944457991.db2.gz CAAZVZDXWUVGAY-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265706739 944476937 /nfs/dbraw/zinc/47/69/37/944476937.db2.gz YXTQHERVLWIUQB-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001277987387 944522992 /nfs/dbraw/zinc/52/29/92/944522992.db2.gz HZNUCPICFNIYAT-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266020321 944635206 /nfs/dbraw/zinc/63/52/06/944635206.db2.gz GTQNLUGLDPACEE-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001266040966 944650553 /nfs/dbraw/zinc/65/05/53/944650553.db2.gz PSBVICCENPICCD-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001480286599 971658708 /nfs/dbraw/zinc/65/87/08/971658708.db2.gz SHWXANJEMJJUAT-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001278607747 950432724 /nfs/dbraw/zinc/43/27/24/950432724.db2.gz HNQDHAZJNRXKBQ-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001480808132 971887230 /nfs/dbraw/zinc/88/72/30/971887230.db2.gz BOFNPGDYBIKPBK-CQSZACIVSA-N 2 0 267.417 1.533 10 30 CDEERP C=CCC[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001569146270 1169690055 /nfs/dbraw/zinc/69/00/55/1169690055.db2.gz BBNQIGGWVCPDNU-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001493156336 971961452 /nfs/dbraw/zinc/96/14/52/971961452.db2.gz PIHQZULMNLZCFV-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001325456093 953910247 /nfs/dbraw/zinc/91/02/47/953910247.db2.gz NRIIHHKHMBECIX-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493498290 972071088 /nfs/dbraw/zinc/07/10/88/972071088.db2.gz ATPYJGOULCKCPM-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492130037 955639981 /nfs/dbraw/zinc/63/99/81/955639981.db2.gz VTOGNZAUVODXBO-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001422002319 955693383 /nfs/dbraw/zinc/69/33/83/955693383.db2.gz YVKHKGUBHMVHBT-GFCCVEGCSA-N 2 0 285.819 1.271 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001492251915 955757061 /nfs/dbraw/zinc/75/70/61/955757061.db2.gz AZINFMORYBSLRA-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001492358907 955826878 /nfs/dbraw/zinc/82/68/78/955826878.db2.gz LXSQOEXWRILDLA-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001316875396 956863579 /nfs/dbraw/zinc/86/35/79/956863579.db2.gz AAOOOWLYCSYHGR-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001331490490 957098973 /nfs/dbraw/zinc/09/89/73/957098973.db2.gz GQPUITUNBARDEB-CVEARBPZSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001316954200 957148766 /nfs/dbraw/zinc/14/87/66/957148766.db2.gz MSVXIZHLWJFSRD-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001317014156 957203185 /nfs/dbraw/zinc/20/31/85/957203185.db2.gz BPBSPPPSQDYJLN-GJZGRUSLSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317530355 957531287 /nfs/dbraw/zinc/53/12/87/957531287.db2.gz WNCZAXBVFRKOGO-OAHLLOKOSA-N 2 0 293.455 1.426 10 30 CDEERP C=CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001317552883 957548164 /nfs/dbraw/zinc/54/81/64/957548164.db2.gz NJCDRYMWDHXMLN-LSDHHAIUSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001318299990 958021051 /nfs/dbraw/zinc/02/10/51/958021051.db2.gz QSSJAGABINWNGX-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001318479925 958124506 /nfs/dbraw/zinc/12/45/06/958124506.db2.gz SPZHGZBIEBJJBL-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001318597308 958189854 /nfs/dbraw/zinc/18/98/54/958189854.db2.gz ZMXXIYMBMWKPOP-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001318851538 958279108 /nfs/dbraw/zinc/27/91/08/958279108.db2.gz RURWYGWOEDINAV-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001494906789 972334738 /nfs/dbraw/zinc/33/47/38/972334738.db2.gz VBYPMALZCDNVGN-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCC1 ZINC001319362754 958519613 /nfs/dbraw/zinc/51/96/13/958519613.db2.gz JWRPQKDQPVDWAS-UHFFFAOYSA-N 2 0 289.423 1.267 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001319688192 958690018 /nfs/dbraw/zinc/69/00/18/958690018.db2.gz AIGFSFUIERRXLU-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001319775155 958720613 /nfs/dbraw/zinc/72/06/13/958720613.db2.gz QTIGGWXLPVFYKK-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001320150129 958971046 /nfs/dbraw/zinc/97/10/46/958971046.db2.gz ZAMOWSZFYLQQLP-GOEBONIOSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001495085560 972401699 /nfs/dbraw/zinc/40/16/99/972401699.db2.gz KVLKNUWJVNXHOM-INIZCTEOSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001321083391 959581875 /nfs/dbraw/zinc/58/18/75/959581875.db2.gz IWLKYDIIWPINFV-XHPSBEMXSA-N 2 0 277.412 1.146 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001321419329 959774226 /nfs/dbraw/zinc/77/42/26/959774226.db2.gz OVTLZHRWCWTMPA-IDTUSYRASA-N 2 0 279.428 1.699 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC1 ZINC001495296477 972467489 /nfs/dbraw/zinc/46/74/89/972467489.db2.gz FBTBMITVBSOCNQ-IRXDYDNUSA-N 2 0 291.439 1.533 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001322262122 960157499 /nfs/dbraw/zinc/15/74/99/960157499.db2.gz MNSLJNCSSRZIBN-CQSZACIVSA-N 2 0 287.407 1.432 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001336198215 960243019 /nfs/dbraw/zinc/24/30/19/960243019.db2.gz IWFHUSUIPLHIOR-HRCADAONSA-N 2 0 293.455 1.683 10 30 CDEERP C[N@@H+]1CCC[C@H]1CNC(NC(C)(C)C)=[NH+]C[C@H]1CCOC1 ZINC001336670077 960454766 /nfs/dbraw/zinc/45/47/66/960454766.db2.gz VDXPKIQGJYBUIC-KGLIPLIRSA-N 2 0 296.459 1.451 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001323165472 960491450 /nfs/dbraw/zinc/49/14/50/960491450.db2.gz ZZBDLOLXSPJYGF-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001437202149 962731430 /nfs/dbraw/zinc/73/14/30/962731430.db2.gz OPPUUULFROVZEO-ZDUSSCGKSA-N 2 0 288.395 1.104 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001437313958 962799127 /nfs/dbraw/zinc/79/91/27/962799127.db2.gz LTHBHIPHWJFTCN-KGLIPLIRSA-N 2 0 299.846 1.519 10 30 CDEERP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)CC[NH+](C)C ZINC001439242828 963687811 /nfs/dbraw/zinc/68/78/11/963687811.db2.gz BLMYNLUYRQCJJS-NSHDSACASA-N 2 0 294.424 1.166 10 30 CDEERP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001346136994 964949605 /nfs/dbraw/zinc/94/96/05/964949605.db2.gz SBUVYCXGQOXYKQ-ZACQAIPSSA-N 2 0 295.471 1.319 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001346497088 965142833 /nfs/dbraw/zinc/14/28/33/965142833.db2.gz YTUPNWHDNGVBQC-ZIAGYGMSSA-N 2 0 267.417 1.566 10 30 CDEERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC001542887848 967253856 /nfs/dbraw/zinc/25/38/56/967253856.db2.gz YVOGISHTJNXJOP-AWEZNQCLSA-N 2 0 292.427 1.211 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001569553683 1169920923 /nfs/dbraw/zinc/92/09/23/1169920923.db2.gz WTPSRMXLEGJWMN-HRCADAONSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CCC[NH2+]1 ZINC001356412462 969391360 /nfs/dbraw/zinc/39/13/60/969391360.db2.gz JRAOIAPEUSDFFN-IXYNUQLISA-N 2 0 277.412 1.141 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC001463989718 969763214 /nfs/dbraw/zinc/76/32/14/969763214.db2.gz USBOPTCUUZMVGR-ZDUSSCGKSA-N 2 0 281.425 1.585 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001495914123 972701024 /nfs/dbraw/zinc/70/10/24/972701024.db2.gz CXYPGZMFKPIUFE-HNNXBMFYSA-N 2 0 291.439 1.533 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001495953574 972718602 /nfs/dbraw/zinc/71/86/02/972718602.db2.gz HJLZTRPAFCXQOF-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496103130 972795461 /nfs/dbraw/zinc/79/54/61/972795461.db2.gz KGQQGSCJBHSXKK-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001496158800 972823979 /nfs/dbraw/zinc/82/39/79/972823979.db2.gz TYVZZUIVPFMMRY-KBPBESRZSA-N 2 0 267.417 1.177 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001496756608 973081986 /nfs/dbraw/zinc/08/19/86/973081986.db2.gz KXNSXYAOZUEUAI-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001496768251 973087830 /nfs/dbraw/zinc/08/78/30/973087830.db2.gz XTAWFIFPBVWXAZ-MRXNPFEDSA-N 2 0 293.455 1.522 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001497333662 973291465 /nfs/dbraw/zinc/29/14/65/973291465.db2.gz UDXWCKRFMXGJOO-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497969471 973593335 /nfs/dbraw/zinc/59/33/35/973593335.db2.gz WTTALFGBGQEJRX-CHWSQXEVSA-N 2 0 255.406 1.243 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001498659545 974014082 /nfs/dbraw/zinc/01/40/82/974014082.db2.gz ZVZOBVRMANHJAI-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001501135770 974541063 /nfs/dbraw/zinc/54/10/63/974541063.db2.gz MCBIZWFDELCQNX-CABCVRRESA-N 2 0 281.444 1.588 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001501183604 974546664 /nfs/dbraw/zinc/54/66/64/974546664.db2.gz CJKKBWMUYWGTOB-BZUAXINKSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001501403906 974578966 /nfs/dbraw/zinc/57/89/66/974578966.db2.gz MVGODSUKRUHKGX-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001501427738 974581682 /nfs/dbraw/zinc/58/16/82/974581682.db2.gz ZRNKFWJWOXVDPE-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001502074617 974688724 /nfs/dbraw/zinc/68/87/24/974688724.db2.gz KYVDIGCCTUKUCS-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001503502951 974821597 /nfs/dbraw/zinc/82/15/97/974821597.db2.gz MSBHQPWFXUVYBA-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001506576159 975182138 /nfs/dbraw/zinc/18/21/38/975182138.db2.gz QQUPXJWXPAZOQD-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001508106024 975611756 /nfs/dbraw/zinc/61/17/56/975611756.db2.gz NUOWKWSOEJHTDH-GPANFISMSA-N 2 0 291.439 1.462 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001401856964 975956807 /nfs/dbraw/zinc/95/68/07/975956807.db2.gz ZGVURXLSRYVVET-KGLIPLIRSA-N 2 0 299.846 1.708 10 30 CDEERP C#CCC[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001675318399 1174101210 /nfs/dbraw/zinc/10/12/10/1174101210.db2.gz ZWMCZOPVFBKXNB-HOCLYGCPSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001570465120 1170166030 /nfs/dbraw/zinc/16/60/30/1170166030.db2.gz DOGOOPAXLRIUID-KKUMJFAQSA-N 2 0 279.428 1.224 10 30 CDEERP C[C@H]1CC2(CN1C(=O)[C@@H]([NH3+])CCCCC#N)CC[NH2+]CC2 ZINC000594450277 342909820 /nfs/dbraw/zinc/90/98/20/342909820.db2.gz WPWWPBKQNHIRLP-KBPBESRZSA-N 2 0 292.427 1.388 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000594424426 342903850 /nfs/dbraw/zinc/90/38/50/342903850.db2.gz DJGVPIITYSTKDN-ZDUSSCGKSA-N 2 0 280.416 1.566 10 30 CDEERP CN(CC#CC[NH+]1CCCC1)C(=O)CCCCCCC[NH3+] ZINC000027849451 342235482 /nfs/dbraw/zinc/23/54/82/342235482.db2.gz ZVJVPSSFABWHOS-UHFFFAOYSA-N 2 0 293.455 1.843 10 30 CDEERP N#Cc1ccc(N2CCC([NH2+]CCC[NH3+])CC2)cc1 ZINC000423194773 283154329 /nfs/dbraw/zinc/15/43/29/283154329.db2.gz RODKLBOOIXDVCY-UHFFFAOYSA-N 2 0 258.369 1.465 10 30 CDEERP N#CC1(C[C@H](O)C[NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000600733046 358706474 /nfs/dbraw/zinc/70/64/74/358706474.db2.gz GQBBYGDRXUCRRC-HNNXBMFYSA-N 2 0 277.412 1.505 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000662426233 413004013 /nfs/dbraw/zinc/00/40/13/413004013.db2.gz VIRIBFFRCPDLRR-VNHYZAJKSA-N 2 0 263.385 1.038 10 30 CDEERP C=CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001663547160 1172720999 /nfs/dbraw/zinc/72/09/99/1172720999.db2.gz AMPKREHEEVAWRY-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001664009456 1172800938 /nfs/dbraw/zinc/80/09/38/1172800938.db2.gz YLLSQECFHLTBKH-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001664687164 1172886702 /nfs/dbraw/zinc/88/67/02/1172886702.db2.gz PYQGIRUTADUYQS-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[C@@]1(C(=O)NCCC[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662673142 413290288 /nfs/dbraw/zinc/29/02/88/413290288.db2.gz XLZYKIIDEBSAJT-KRWDZBQOSA-N 2 0 293.455 1.923 10 30 CDEERP C[NH+]1CCC(C)(C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352842744 155478996 /nfs/dbraw/zinc/47/89/96/155478996.db2.gz VNCRNMUZJOHCRV-UHFFFAOYSA-N 2 0 264.398 1.836 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001664817034 1172914874 /nfs/dbraw/zinc/91/48/74/1172914874.db2.gz BBDWUAIGOWERNH-CABCVRRESA-N 2 0 281.444 1.539 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CCC[NH2+]1 ZINC000662743949 413416818 /nfs/dbraw/zinc/41/68/18/413416818.db2.gz ACZXWRVMUHRATL-XJKSGUPXSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[C@]1(C(=O)N(C)CC[N@H+](C)C2CC2)CCC[NH2+]1 ZINC000662803080 413521569 /nfs/dbraw/zinc/52/15/69/413521569.db2.gz VDVZMHYBOSDYNH-OAHLLOKOSA-N 2 0 265.401 1.237 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001665731944 1173048093 /nfs/dbraw/zinc/04/80/93/1173048093.db2.gz PEWVKTROKSLHPV-HOTGVXAUSA-N 2 0 293.455 1.663 10 30 CDEERP COC[C@H](C)[N@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683830 175091992 /nfs/dbraw/zinc/09/19/92/175091992.db2.gz TZVREHYKAUWOQS-NSHDSACASA-N 2 0 252.383 1.525 10 30 CDEERP C[N@@H+]1CCCN(Cc2sccc2C#CC[NH3+])CC1 ZINC000043683574 175092229 /nfs/dbraw/zinc/09/22/29/175092229.db2.gz KLJZNOKUMDOJKX-UHFFFAOYSA-N 2 0 263.410 1.196 10 30 CDEERP C=C(C)CN(CC)C(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070534501 175975129 /nfs/dbraw/zinc/97/51/29/175975129.db2.gz LUAYIIICLIGKQM-UHFFFAOYSA-N 2 0 267.417 1.472 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001666903693 1173206508 /nfs/dbraw/zinc/20/65/08/1173206508.db2.gz WPUWDHNMFWTMSF-UKRRQHHQSA-N 2 0 279.428 1.341 10 30 CDEERP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCSCC1 ZINC000160812977 264262018 /nfs/dbraw/zinc/26/20/18/264262018.db2.gz FBSUVVHCFYVBIS-AWEZNQCLSA-N 2 0 298.500 1.860 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@H+](C)C1CCC1 ZINC001667092659 1173233400 /nfs/dbraw/zinc/23/34/00/1173233400.db2.gz MOKVBSIILXMYBT-CQSZACIVSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001670041388 1173648024 /nfs/dbraw/zinc/64/80/24/1173648024.db2.gz ANLPYURLWUJJTE-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(CC#N)cc1 ZINC000565950853 327094978 /nfs/dbraw/zinc/09/49/78/327094978.db2.gz ABVMWYNLNNYYPB-HNNXBMFYSA-N 2 0 261.369 1.596 10 30 CDEERP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262476444 330016187 /nfs/dbraw/zinc/01/61/87/330016187.db2.gz QHKZFGCMXDBSFP-LSDHHAIUSA-N 2 0 296.459 1.532 10 30 CDEERP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000248748179 334315568 /nfs/dbraw/zinc/31/55/68/334315568.db2.gz BMDMEKFCYJFJRT-RBSFLKMASA-N 2 0 265.401 1.505 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001691458511 1159319746 /nfs/dbraw/zinc/31/97/46/1159319746.db2.gz WPJZSKXWDSQMQB-YHUYYLMFSA-N 2 0 291.439 1.224 10 30 CDEERP C=CC[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001733040892 1160468131 /nfs/dbraw/zinc/46/81/31/1160468131.db2.gz KOZGYFZNXUILLT-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482923856 1160646404 /nfs/dbraw/zinc/64/64/04/1160646404.db2.gz HLXKTGZLIHUBDV-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001707442187 1178046645 /nfs/dbraw/zinc/04/66/45/1178046645.db2.gz YECRJFJGSDGPAA-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001483973349 1161243735 /nfs/dbraw/zinc/24/37/35/1161243735.db2.gz WHNCDYOEZKHIHR-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)CCC ZINC001691674339 1161556259 /nfs/dbraw/zinc/55/62/59/1161556259.db2.gz CNXQBPAUMRCNTC-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001715319072 1179621080 /nfs/dbraw/zinc/62/10/80/1179621080.db2.gz FUZMPHKNYASEDE-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP CC[C@@H](C)[NH+]1CCN(Cc2ccccc2C#CC[NH3+])CC1 ZINC000055069301 522125500 /nfs/dbraw/zinc/12/55/00/522125500.db2.gz ORBKKCFTDJPXKY-MRXNPFEDSA-N 2 0 285.435 1.913 10 30 CDEERP COc1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1C#CC[NH3+] ZINC000049608326 524029392 /nfs/dbraw/zinc/02/93/92/524029392.db2.gz UZKHLRNPXLFQAQ-HNNXBMFYSA-N 2 0 288.391 1.210 10 30 CDEERP C[C@@H](C[C@](C)(N)C#N)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000068615382 524861217 /nfs/dbraw/zinc/86/12/17/524861217.db2.gz LBXDLBZJBCKFKO-HOCLYGCPSA-N 2 0 278.444 1.814 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCC[C@H](O)C2)c(F)c1 ZINC000049609811 527149203 /nfs/dbraw/zinc/14/92/03/527149203.db2.gz PPWZUYVRACNHAY-AWEZNQCLSA-N 2 0 262.328 1.093 10 30 CDEERP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001689059465 1175091173 /nfs/dbraw/zinc/09/11/73/1175091173.db2.gz ZUZKZXYNAFYNIS-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000900833624 623548439 /nfs/dbraw/zinc/54/84/39/623548439.db2.gz UGTZPEANRJAQJV-ZDUSSCGKSA-N 2 0 269.433 1.587 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000900994101 623811132 /nfs/dbraw/zinc/81/11/32/623811132.db2.gz FZQNWKAKIUEFBZ-OLZOCXBDSA-N 2 0 265.401 1.236 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC(C)(C)C[N@@H+](C)CCC ZINC000876984992 630588838 /nfs/dbraw/zinc/58/88/38/630588838.db2.gz RPJZGJWSMTXZAC-LLVKDONJSA-N 2 0 275.824 1.693 10 30 CDEERP C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001700415770 1158996427 /nfs/dbraw/zinc/99/64/27/1158996427.db2.gz AXTLLAVISSTWDX-KGLIPLIRSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001691166024 1158941663 /nfs/dbraw/zinc/94/16/63/1158941663.db2.gz KOVPKYCQJXLSOR-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001691170496 1158942856 /nfs/dbraw/zinc/94/28/56/1158942856.db2.gz CNNIBGWTANMZGN-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)CCC ZINC001691410659 1159060796 /nfs/dbraw/zinc/06/07/96/1159060796.db2.gz RMYRVDMYNHUQFP-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001691845617 1161489915 /nfs/dbraw/zinc/48/99/15/1161489915.db2.gz HXDLEPOLRHTBHS-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000876750682 1165910149 /nfs/dbraw/zinc/91/01/49/1165910149.db2.gz XXZSKSDWZLDBQW-MNOVXSKESA-N 2 0 261.797 1.303 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000876791261 1165916051 /nfs/dbraw/zinc/91/60/51/1165916051.db2.gz HRDZEEWPSFVGLN-GFCCVEGCSA-N 2 0 273.808 1.304 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000876833006 1165923878 /nfs/dbraw/zinc/92/38/78/1165923878.db2.gz KKZLEIIBKIRIMZ-MXWKQRLJSA-N 2 0 259.781 1.042 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(CC)CCC[NH+](CC)CC ZINC001634291062 1166486350 /nfs/dbraw/zinc/48/63/50/1166486350.db2.gz BZTICJXJOQQHME-UHFFFAOYSA-N 2 0 269.433 1.685 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001275168470 1166661068 /nfs/dbraw/zinc/66/10/68/1166661068.db2.gz XOXJCIYYNHQNBO-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001565913093 1168200965 /nfs/dbraw/zinc/20/09/65/1168200965.db2.gz KCTQZPHLJJZBTG-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001567137019 1168591381 /nfs/dbraw/zinc/59/13/81/1168591381.db2.gz GFRNFNPDKJXPRT-JYJNAYRXSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]C[C@@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001568176670 1169163488 /nfs/dbraw/zinc/16/34/88/1169163488.db2.gz WYHLYPOGZVKXCO-GFCCVEGCSA-N 2 0 295.452 1.951 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001568183351 1169166927 /nfs/dbraw/zinc/16/69/27/1169166927.db2.gz OIHHDBIJBAARDN-ZDUSSCGKSA-N 2 0 299.378 1.409 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001569329716 1169767770 /nfs/dbraw/zinc/76/77/70/1169767770.db2.gz SMURTDJWSNGUFZ-CABCVRRESA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)Cn1ccnc1 ZINC001569871669 1170021776 /nfs/dbraw/zinc/02/17/76/1170021776.db2.gz LNBWBJSVOGGLAF-UHFFFAOYSA-N 2 0 298.390 1.688 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001571494124 1170453527 /nfs/dbraw/zinc/45/35/27/1170453527.db2.gz ZVBAWAYBQPYIJL-QWHCGFSZSA-N 2 0 253.390 1.092 10 30 CDEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001666022043 1173101550 /nfs/dbraw/zinc/10/15/50/1173101550.db2.gz QRUCRYCAQLUXIX-HNNXBMFYSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001667117972 1173236052 /nfs/dbraw/zinc/23/60/52/1173236052.db2.gz HWVHHYWICMEGDL-HUUCEWRRSA-N 2 0 281.444 1.635 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001669361110 1173540561 /nfs/dbraw/zinc/54/05/61/1173540561.db2.gz KRJOHPYEEWWZAZ-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001673202150 1173834400 /nfs/dbraw/zinc/83/44/00/1173834400.db2.gz SFQLYFTXNWBPHK-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001674723534 1173998095 /nfs/dbraw/zinc/99/80/95/1173998095.db2.gz ZKSPCQDBANAOPW-CHWSQXEVSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001675222919 1174086498 /nfs/dbraw/zinc/08/64/98/1174086498.db2.gz VLUBPASZAKNOAE-QLFBSQMISA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001676228952 1174194893 /nfs/dbraw/zinc/19/48/93/1174194893.db2.gz VSAWXZPCZJBENW-CVEARBPZSA-N 2 0 293.455 1.423 10 30 CDEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001677424092 1174359506 /nfs/dbraw/zinc/35/95/06/1174359506.db2.gz XUJSYKTWRSSDBI-UHFFFAOYSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001690584151 1175512914 /nfs/dbraw/zinc/51/29/14/1175512914.db2.gz GOFSOWLOLHDYNW-ZIAGYGMSSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001690881098 1175598855 /nfs/dbraw/zinc/59/88/55/1175598855.db2.gz JILJRCMQDHIOBB-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001691904726 1175649096 /nfs/dbraw/zinc/64/90/96/1175649096.db2.gz HHSRGWMQPSPNPB-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001691910458 1175650650 /nfs/dbraw/zinc/65/06/50/1175650650.db2.gz NHAKAEQWGQDGOI-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001698919116 1175985099 /nfs/dbraw/zinc/98/50/99/1175985099.db2.gz WOBZGJRXUULXDU-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001698975183 1176002174 /nfs/dbraw/zinc/00/21/74/1176002174.db2.gz GUEFHSVUWQKUCS-KKUMJFAQSA-N 2 0 279.428 1.080 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001699676484 1176566592 /nfs/dbraw/zinc/56/65/92/1176566592.db2.gz SSYZNHJZVWQYGU-AWEZNQCLSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001699869935 1176663288 /nfs/dbraw/zinc/66/32/88/1176663288.db2.gz WAZHOJLJANDBAP-NVXWUHKLSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001700220272 1176804023 /nfs/dbraw/zinc/80/40/23/1176804023.db2.gz JOPQQVCNVQPQGU-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001700275164 1176827813 /nfs/dbraw/zinc/82/78/13/1176827813.db2.gz RNVUSPXZUPJHAA-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001700279650 1176828824 /nfs/dbraw/zinc/82/88/24/1176828824.db2.gz WXGZZVHVXZZZNQ-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001700556341 1177012594 /nfs/dbraw/zinc/01/25/94/1177012594.db2.gz YEMIQZCCYCETHO-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCCF)CC1 ZINC001700780396 1177130026 /nfs/dbraw/zinc/13/00/26/1177130026.db2.gz LIPZZSGISPINAM-AWEZNQCLSA-N 2 0 297.418 1.128 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001707089738 1177949644 /nfs/dbraw/zinc/94/96/44/1177949644.db2.gz OPDIZJQZBNVGGC-BZUAXINKSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001707089739 1177949922 /nfs/dbraw/zinc/94/99/22/1177949922.db2.gz OPDIZJQZBNVGGC-JYJNAYRXSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)CC[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001707421438 1178034822 /nfs/dbraw/zinc/03/48/22/1178034822.db2.gz OXTGQGCUEJETGI-UHFFFAOYSA-N 2 0 267.417 1.487 10 30 CDEERP C#CCC[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001712963613 1178272475 /nfs/dbraw/zinc/27/24/75/1178272475.db2.gz ZERTVFMQHYAMBL-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001713135522 1178390624 /nfs/dbraw/zinc/39/06/24/1178390624.db2.gz LPFHWPFYOMQUAJ-HZPDHXFCSA-N 2 0 291.439 1.132 10 30 CDEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713396151 1178534793 /nfs/dbraw/zinc/53/47/93/1178534793.db2.gz WIBAVFDZEJESQA-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713530679 1178629320 /nfs/dbraw/zinc/62/93/20/1178629320.db2.gz KHFXGDZOCCTQAY-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001713695377 1178713117 /nfs/dbraw/zinc/71/31/17/1178713117.db2.gz SQNDEXSKLAVUBK-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001713926904 1178853666 /nfs/dbraw/zinc/85/36/66/1178853666.db2.gz AYEOTISHIOQYTI-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001714169298 1179000369 /nfs/dbraw/zinc/00/03/69/1179000369.db2.gz JSHDODNCXQJCQP-GOEBONIOSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001714278872 1179062263 /nfs/dbraw/zinc/06/22/63/1179062263.db2.gz PJJQXOWXQZTGCH-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001714625271 1179276438 /nfs/dbraw/zinc/27/64/38/1179276438.db2.gz SWSPQETZTCQPPU-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001714861166 1179424384 /nfs/dbraw/zinc/42/43/84/1179424384.db2.gz IWGYXKRSROOWNJ-HNNXBMFYSA-N 2 0 279.428 1.581 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715026732 1179515437 /nfs/dbraw/zinc/51/54/37/1179515437.db2.gz XFLSLDCRMPLSON-HNNXBMFYSA-N 2 0 279.428 1.580 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001715159982 1179566407 /nfs/dbraw/zinc/56/64/07/1179566407.db2.gz IKTNAZZKJYYLES-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001715161501 1179566816 /nfs/dbraw/zinc/56/68/16/1179566816.db2.gz ZRPATKLYELDJSP-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001716618750 1180309126 /nfs/dbraw/zinc/30/91/26/1180309126.db2.gz KCPAEWAIDKXDSU-CWRNSKLLSA-N 2 0 291.439 1.224 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H](C)C1 ZINC001716769664 1180406793 /nfs/dbraw/zinc/40/67/93/1180406793.db2.gz DNORSLSSEOEJKG-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]2C1 ZINC001717014445 1180502118 /nfs/dbraw/zinc/50/21/18/1180502118.db2.gz SIQSYIHJHUNBFA-IYBDPMFKSA-N 2 0 293.455 1.685 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001717088382 1180527739 /nfs/dbraw/zinc/52/77/39/1180527739.db2.gz UMFBQFZXGSEXCH-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001717098778 1180530399 /nfs/dbraw/zinc/53/03/99/1180530399.db2.gz IEVAFYSMHJXLHZ-HNNXBMFYSA-N 2 0 295.471 1.979 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001717208656 1180576398 /nfs/dbraw/zinc/57/63/98/1180576398.db2.gz HQOFGXYBCAHMMA-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001717530135 1180723223 /nfs/dbraw/zinc/72/32/23/1180723223.db2.gz IULWLGMMADAVCS-CVEARBPZSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001717642458 1180770450 /nfs/dbraw/zinc/77/04/50/1180770450.db2.gz VIRZBGOUKGOETL-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001717841719 1180888633 /nfs/dbraw/zinc/88/86/33/1180888633.db2.gz URRIVVBFMDXPGQ-RDJZCZTQSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCN1CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001723483496 1181574396 /nfs/dbraw/zinc/57/43/96/1181574396.db2.gz RPXRQMPBAZNOTO-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001723580043 1181589863 /nfs/dbraw/zinc/58/98/63/1181589863.db2.gz YCJHQFXWFQHNQD-UHFFFAOYSA-N 2 0 265.401 1.143 10 30 CDEERP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001723721304 1181596191 /nfs/dbraw/zinc/59/61/91/1181596191.db2.gz LNLFEJGHONZQMM-QGZVFWFLSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001724604923 1181702723 /nfs/dbraw/zinc/70/27/23/1181702723.db2.gz NCFYJNHYCFMBOL-JKSUJKDBSA-N 2 0 293.455 1.588 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724723814 1181733911 /nfs/dbraw/zinc/73/39/11/1181733911.db2.gz VGJTWTNCNJQINU-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCC1 ZINC001724793517 1181756098 /nfs/dbraw/zinc/75/60/98/1181756098.db2.gz FTAYJPCVBPFAEY-UHFFFAOYSA-N 2 0 291.439 1.513 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001725042878 1181833287 /nfs/dbraw/zinc/83/32/87/1181833287.db2.gz QPTAIXHRGSPZOL-HOTGVXAUSA-N 2 0 293.455 1.968 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001725071886 1181845121 /nfs/dbraw/zinc/84/51/21/1181845121.db2.gz PPDGAABTVZUFAF-FHERZECASA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001725391180 1181986353 /nfs/dbraw/zinc/98/63/53/1181986353.db2.gz DELXEJKUYGRKKF-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[N@@H+](C)CC ZINC001725472025 1182012988 /nfs/dbraw/zinc/01/29/88/1182012988.db2.gz WFEMDZKPNAFGMZ-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001731466804 1182401298 /nfs/dbraw/zinc/40/12/98/1182401298.db2.gz DUTLHBGEBPPRQC-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001731866382 1182637238 /nfs/dbraw/zinc/63/72/38/1182637238.db2.gz IUGYDUYFRSEGIE-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732210382 1182859388 /nfs/dbraw/zinc/85/93/88/1182859388.db2.gz GLRGBEHCPGOOAH-BBRMVZONSA-N 2 0 297.418 1.317 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001732230470 1182872271 /nfs/dbraw/zinc/87/22/71/1182872271.db2.gz FCPIAZZHBMDCGA-HNNXBMFYSA-N 2 0 291.439 1.513 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001732422679 1182958116 /nfs/dbraw/zinc/95/81/16/1182958116.db2.gz JVTQZDQWSRLIGN-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001732550628 1183004093 /nfs/dbraw/zinc/00/40/93/1183004093.db2.gz AMDNVUGHGCUIKR-INIZCTEOSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732851146 1183158472 /nfs/dbraw/zinc/15/84/72/1183158472.db2.gz CWFCAASADXWPCY-SHUKXNKTSA-N 2 0 293.455 1.945 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001732908306 1183179541 /nfs/dbraw/zinc/17/95/41/1183179541.db2.gz CRNZFDYAEGKXFI-UDLYIEAKSA-N 2 0 289.423 1.289 10 30 CDEERP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001733414257 1183425944 /nfs/dbraw/zinc/42/59/44/1183425944.db2.gz VWVRLLXGEAPNGL-RDJZCZTQSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001733605145 1183478090 /nfs/dbraw/zinc/47/80/90/1183478090.db2.gz ZXJBMNXFOFTJBW-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001733672668 1183494496 /nfs/dbraw/zinc/49/44/96/1183494496.db2.gz CSVZGRCDISJSRX-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCC1 ZINC001733726761 1183510151 /nfs/dbraw/zinc/51/01/51/1183510151.db2.gz MZKGGSXTWDKRLN-INIZCTEOSA-N 2 0 291.439 1.677 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001733934447 1183574085 /nfs/dbraw/zinc/57/40/85/1183574085.db2.gz YJFVDTNLCMGZQU-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001734152849 1183676963 /nfs/dbraw/zinc/67/69/63/1183676963.db2.gz MHKLEIILABWKJS-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001734242546 1183702414 /nfs/dbraw/zinc/70/24/14/1183702414.db2.gz WRGRBCCSOSMING-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[N@@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001734273930 1183709946 /nfs/dbraw/zinc/70/99/46/1183709946.db2.gz CFHMQKUZBCPDFA-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C#CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@H]12 ZINC001734439271 1183779320 /nfs/dbraw/zinc/77/93/20/1183779320.db2.gz KCVHXOPMAXHFGT-HOCLYGCPSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001734576994 1183831532 /nfs/dbraw/zinc/83/15/32/1183831532.db2.gz ZTRAAGLWJKLKMM-AWEZNQCLSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001626754759 1165955518 /nfs/dbraw/zinc/95/55/18/1165955518.db2.gz MPUNFEKBWFVYTO-AWEZNQCLSA-N 2 0 285.407 1.387 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877409715 1166031148 /nfs/dbraw/zinc/03/11/48/1166031148.db2.gz YUPLEBZAAJVPIE-OLZOCXBDSA-N 2 0 299.846 1.885 10 30 CDEERP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001569639139 1167564963 /nfs/dbraw/zinc/56/49/63/1167564963.db2.gz NDNQZJAHGINRRO-ZBFHGGJFSA-N 2 0 297.418 1.270 10 30 CDEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001570183678 1167572245 /nfs/dbraw/zinc/57/22/45/1167572245.db2.gz OZRYCTMDADUAPY-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001570985289 1167586955 /nfs/dbraw/zinc/58/69/55/1167586955.db2.gz ABVQCLGZXLGBCC-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001566779832 1168417803 /nfs/dbraw/zinc/41/78/03/1168417803.db2.gz KFEPSTWQOPLEFP-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC(C)C)CC1 ZINC001567082621 1168553370 /nfs/dbraw/zinc/55/33/70/1168553370.db2.gz SEPNAQMKGCLXLT-AWEZNQCLSA-N 2 0 279.428 1.082 10 30 CDEERP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001567256654 1168641856 /nfs/dbraw/zinc/64/18/56/1168641856.db2.gz HUYBVLXKHUNLCG-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001567266861 1168643958 /nfs/dbraw/zinc/64/39/58/1168643958.db2.gz QGYMPAHLLUDUIW-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001567439146 1168760318 /nfs/dbraw/zinc/76/03/18/1168760318.db2.gz LCOBKAYBQGKTLS-AWEZNQCLSA-N 2 0 265.401 1.237 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001266282762 894099784 /nfs/dbraw/zinc/09/97/84/894099784.db2.gz QNJBXKJNYZALRP-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)CCc1nccn1C ZINC001266405617 894738354 /nfs/dbraw/zinc/73/83/54/894738354.db2.gz CFLGCDJRDIQMSZ-UHFFFAOYSA-N 2 0 278.400 1.367 10 30 CDEERP CC[NH+]=C(NC1CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261968291 896288152 /nfs/dbraw/zinc/28/81/52/896288152.db2.gz MAEGZJWTEBLUBV-SMDDNHRTSA-N 2 0 264.417 1.577 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001267253131 897347447 /nfs/dbraw/zinc/34/74/47/897347447.db2.gz GACOHQYNAMVIGD-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001279630741 897451023 /nfs/dbraw/zinc/45/10/23/897451023.db2.gz IUBJUJRYXDSNBS-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001176880137 914331363 /nfs/dbraw/zinc/33/13/63/914331363.db2.gz RZWGXHJUAKDCIS-UHFFFAOYSA-N 2 0 250.386 1.323 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001567651371 1168906286 /nfs/dbraw/zinc/90/62/86/1168906286.db2.gz LYCIOPQDVPBCIZ-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@@H+](C)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001267757825 899609453 /nfs/dbraw/zinc/60/94/53/899609453.db2.gz FTHWRONPGLZMPI-UHFFFAOYSA-N 2 0 291.439 1.439 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268002348 900251698 /nfs/dbraw/zinc/25/16/98/900251698.db2.gz VNDIKXONJMQJGZ-UONOGXRCSA-N 2 0 269.433 1.491 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CCCC)CC1 ZINC001268016135 900301003 /nfs/dbraw/zinc/30/10/03/900301003.db2.gz ZMSQXKJEWVEANY-OAHLLOKOSA-N 2 0 293.455 1.474 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001481489001 900905041 /nfs/dbraw/zinc/90/50/41/900905041.db2.gz YKRWTRARZVUWAY-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268104584 901297282 /nfs/dbraw/zinc/29/72/82/901297282.db2.gz JMFGGNQTGMPLKL-ZIAGYGMSSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268106404 901305034 /nfs/dbraw/zinc/30/50/34/901305034.db2.gz UEWWKYFSELLORE-CVEARBPZSA-N 2 0 293.455 1.613 10 30 CDEERP C=CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001481615539 901468620 /nfs/dbraw/zinc/46/86/20/901468620.db2.gz UGUSHPZQPKHQRR-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001481644251 901604456 /nfs/dbraw/zinc/60/44/56/901604456.db2.gz DDVQMTDXACYEFM-UHFFFAOYSA-N 2 0 267.417 1.198 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001268227040 901608026 /nfs/dbraw/zinc/60/80/26/901608026.db2.gz HKEQJJLVVIVUGF-CYBMUJFWSA-N 2 0 255.406 1.243 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268241017 901649847 /nfs/dbraw/zinc/64/98/47/901649847.db2.gz SXHZZEVKTUQSSX-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001481660631 901747631 /nfs/dbraw/zinc/74/76/31/901747631.db2.gz KSKDQUDDJPXPGZ-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=C)Cl ZINC001482109584 902652642 /nfs/dbraw/zinc/65/26/42/902652642.db2.gz GSBSPOIDNMGLQB-OCCSQVGLSA-N 2 0 297.830 1.178 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001268879113 903207461 /nfs/dbraw/zinc/20/74/61/903207461.db2.gz LIPMRLQYGLCRRJ-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001269278781 903643289 /nfs/dbraw/zinc/64/32/89/903643289.db2.gz PGMZBNAYDBFTAU-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001269331444 903701045 /nfs/dbraw/zinc/70/10/45/903701045.db2.gz KHHYUCHXENCRFT-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H](C)C1 ZINC001269980077 904248817 /nfs/dbraw/zinc/24/88/17/904248817.db2.gz DLVGIIIJGIJZGQ-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](C(C)C)CC1 ZINC001270338507 904542749 /nfs/dbraw/zinc/54/27/49/904542749.db2.gz HNSMOGDLESARHQ-UHFFFAOYSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270921168 905447237 /nfs/dbraw/zinc/44/72/37/905447237.db2.gz FXZPJRZHIAZQMG-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP CCNC(NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)=[NH+]CC ZINC000303268127 906644138 /nfs/dbraw/zinc/64/41/38/906644138.db2.gz YFLQUQOOJFUXMY-STQMWFEESA-N 2 0 270.421 1.061 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001272974096 921289223 /nfs/dbraw/zinc/28/92/23/921289223.db2.gz MEWPHCAJWQKEFG-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001567914208 1169063362 /nfs/dbraw/zinc/06/33/62/1169063362.db2.gz BDRJVYCGHRDJMG-HUUCEWRRSA-N 2 0 299.434 1.775 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1CC ZINC001483619314 911375400 /nfs/dbraw/zinc/37/54/00/911375400.db2.gz AXBBJPFULXDVNN-ZIAGYGMSSA-N 2 0 288.395 1.192 10 30 CDEERP CCO[C@@H](CNCc1ccc(OC)c(C#N)c1)C[NH+](C)C ZINC000922757341 921792930 /nfs/dbraw/zinc/79/29/30/921792930.db2.gz DXFWNCJGTYVQLI-HNNXBMFYSA-N 2 0 291.395 1.623 10 30 CDEERP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001484466234 915792788 /nfs/dbraw/zinc/79/27/88/915792788.db2.gz SKAUZLXGNKFJOV-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001484615560 915951184 /nfs/dbraw/zinc/95/11/84/915951184.db2.gz BWSXAKNSJOQNSB-HZPDHXFCSA-N 2 0 291.439 1.485 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001484725065 916086809 /nfs/dbraw/zinc/08/68/09/916086809.db2.gz XKEJWHNQBWVPSG-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001484910209 916261290 /nfs/dbraw/zinc/26/12/90/916261290.db2.gz STILGHJSGSAFNE-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001568191900 1169171152 /nfs/dbraw/zinc/17/11/52/1169171152.db2.gz NIDCQGYDOZFIGF-JKSUJKDBSA-N 2 0 293.455 1.474 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485192940 916654353 /nfs/dbraw/zinc/65/43/53/916654353.db2.gz YPFAVPSCFLFVOI-RYUDHWBXSA-N 2 0 287.835 1.564 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001485320705 916804091 /nfs/dbraw/zinc/80/40/91/916804091.db2.gz RHWIXQAYKRGHTL-UONOGXRCSA-N 2 0 290.411 1.458 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001485320703 916809782 /nfs/dbraw/zinc/80/97/82/916809782.db2.gz RHWIXQAYKRGHTL-KGLIPLIRSA-N 2 0 290.411 1.458 10 30 CDEERP C=CCCC[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485373764 916908131 /nfs/dbraw/zinc/90/81/31/916908131.db2.gz WHTHUPAWQQEMPG-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001273473801 917682652 /nfs/dbraw/zinc/68/26/52/917682652.db2.gz CIAIAMZLESPVBP-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921530770 918979419 /nfs/dbraw/zinc/97/94/19/918979419.db2.gz VBOATSIXWGMEOC-ZDUSSCGKSA-N 2 0 292.452 1.735 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272780857 919266053 /nfs/dbraw/zinc/26/60/53/919266053.db2.gz CHZNNYDAKVZXGS-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485922655 920578879 /nfs/dbraw/zinc/57/88/79/920578879.db2.gz PCDVAZZUGPJSPK-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C[C@H](C#N)OCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000394105864 936674314 /nfs/dbraw/zinc/67/43/14/936674314.db2.gz XSVAMKYQURMNFZ-CQSZACIVSA-N 2 0 265.401 1.723 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001486120486 920730499 /nfs/dbraw/zinc/73/04/99/920730499.db2.gz BSKRYVQNPIRJKC-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001486209968 920820428 /nfs/dbraw/zinc/82/04/28/920820428.db2.gz FZDYHYHAPRMKHT-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001490903170 936687002 /nfs/dbraw/zinc/68/70/02/936687002.db2.gz OWIKYOIXDMALIL-KKUMJFAQSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001486481353 921059046 /nfs/dbraw/zinc/05/90/46/921059046.db2.gz KVDRMOQSQJTMDG-NRXISQOPSA-N 2 0 281.444 1.728 10 30 CDEERP N#Cc1ccccc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923447989 923834170 /nfs/dbraw/zinc/83/41/70/923834170.db2.gz ZEQGCQBRSIXQTI-MRXNPFEDSA-N 2 0 285.391 1.888 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001491269415 936887033 /nfs/dbraw/zinc/88/70/33/936887033.db2.gz BJIQKVBLGJNYKB-HNNXBMFYSA-N 2 0 291.439 1.629 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273298041 925759891 /nfs/dbraw/zinc/75/98/91/925759891.db2.gz HFWHLIPPYWITKT-GFCCVEGCSA-N 2 0 273.808 1.271 10 30 CDEERP C=CC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@H]1C ZINC001495335004 926982085 /nfs/dbraw/zinc/98/20/85/926982085.db2.gz XLIYLUOZSTTWSP-WBVHZDCISA-N 2 0 293.455 1.923 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001490711655 927296356 /nfs/dbraw/zinc/29/63/56/927296356.db2.gz ZNZWOJZOAMDWNY-RISCZKNCSA-N 2 0 299.846 1.565 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC=C(C)C ZINC001274731978 931561811 /nfs/dbraw/zinc/56/18/11/931561811.db2.gz NJYNCLZSHUDSQO-HOTGVXAUSA-N 2 0 291.439 1.535 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001275143812 931678641 /nfs/dbraw/zinc/67/86/41/931678641.db2.gz QYSYEWSDACDIAX-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCCCC[NH+](CC)CC ZINC001148898588 932801447 /nfs/dbraw/zinc/80/14/47/932801447.db2.gz GYUCFRMWKXWCDH-UHFFFAOYSA-N 2 0 255.406 1.342 10 30 CDEERP COCC[N@H+](C)CCCNC(=[NH2+])NC1CCCCC1 ZINC000303871245 935045496 /nfs/dbraw/zinc/04/54/96/935045496.db2.gz BPFKWUHFYXETCB-UHFFFAOYSA-N 2 0 270.421 1.192 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001123941886 936251341 /nfs/dbraw/zinc/25/13/41/936251341.db2.gz BFBPVJDOKZDXLJ-AWEZNQCLSA-N 2 0 279.428 1.580 10 30 CDEERP C#CC[NH2+]CC(=O)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001122213909 937913557 /nfs/dbraw/zinc/91/35/57/937913557.db2.gz KSKCMIWHTUPXET-UHFFFAOYSA-N 2 0 291.439 1.466 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001277094496 941944470 /nfs/dbraw/zinc/94/44/70/941944470.db2.gz XEASWPPCWKDGAD-LSDHHAIUSA-N 2 0 289.423 1.265 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001280480296 942451028 /nfs/dbraw/zinc/45/10/28/942451028.db2.gz JIHVWZBYGHKODK-AWEZNQCLSA-N 2 0 277.412 1.121 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001280769680 942484710 /nfs/dbraw/zinc/48/47/10/942484710.db2.gz JJIKQBNRGDMZOB-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001282738129 942746975 /nfs/dbraw/zinc/74/69/75/942746975.db2.gz OQFYMFVWGRZSIE-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001282740302 942747885 /nfs/dbraw/zinc/74/78/85/942747885.db2.gz YYWGQIUNMDMRLU-OCCSQVGLSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001284132858 943086312 /nfs/dbraw/zinc/08/63/12/943086312.db2.gz SGBFGHBPPRFGAV-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CCC[NH2+]1 ZINC001263239500 943799665 /nfs/dbraw/zinc/79/96/65/943799665.db2.gz NDZQHTHUUOWIEF-BFYDXBDKSA-N 2 0 285.391 1.426 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)CCn1ccnc1 ZINC001263804321 943977524 /nfs/dbraw/zinc/97/75/24/943977524.db2.gz AEIMOSQRMDYJGH-AWEZNQCLSA-N 2 0 276.384 1.382 10 30 CDEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001264008349 944062619 /nfs/dbraw/zinc/06/26/19/944062619.db2.gz MGQOIQMBOSQNSX-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H]1CC ZINC001264054214 944071296 /nfs/dbraw/zinc/07/12/96/944071296.db2.gz DRYTVKGVBIXTJN-QLFBSQMISA-N 2 0 297.418 1.269 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001264623503 944154406 /nfs/dbraw/zinc/15/44/06/944154406.db2.gz CPCZEOZWZPLEJX-ZNMIVQPWSA-N 2 0 279.428 1.319 10 30 CDEERP C=CCCC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265230631 944289088 /nfs/dbraw/zinc/28/90/88/944289088.db2.gz JHDSTPFMRVFOEN-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001265628348 944451823 /nfs/dbraw/zinc/45/18/23/944451823.db2.gz VDGVLFSLRUQZQM-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001265783754 944508358 /nfs/dbraw/zinc/50/83/58/944508358.db2.gz PVLWSSWVAOKOFV-UKRRQHHQSA-N 2 0 277.412 1.121 10 30 CDEERP C=C(C)CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001265814980 944520930 /nfs/dbraw/zinc/52/09/30/944520930.db2.gz KXDWZQBJMGLVHX-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266051203 944655073 /nfs/dbraw/zinc/65/50/73/944655073.db2.gz NFBTYXCVHJKHHT-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001278295157 945432484 /nfs/dbraw/zinc/43/24/84/945432484.db2.gz YRAMTFREFSLUAA-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001479723435 971384680 /nfs/dbraw/zinc/38/46/80/971384680.db2.gz KGVOWQMTSLVWKL-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCCC[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001278421509 947855580 /nfs/dbraw/zinc/85/55/80/947855580.db2.gz VJYMPDZGPYEXIW-HNNXBMFYSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001479909620 971482542 /nfs/dbraw/zinc/48/25/42/971482542.db2.gz HHIXCDMTIRGWKY-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001279022629 948610532 /nfs/dbraw/zinc/61/05/32/948610532.db2.gz XAUMWRKOSFASOI-GJZGRUSLSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001480238631 971641714 /nfs/dbraw/zinc/64/17/14/971641714.db2.gz VVGWUIHADWOBLT-BETUJISGSA-N 2 0 253.390 1.140 10 30 CDEERP CC#CC[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001480331100 971674775 /nfs/dbraw/zinc/67/47/75/971674775.db2.gz GGZHSKFELYWLQY-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001493042561 971930878 /nfs/dbraw/zinc/93/08/78/971930878.db2.gz GJHSQSQZRASGHU-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001324826938 953595633 /nfs/dbraw/zinc/59/56/33/953595633.db2.gz TZOWJEXEXGUCSC-ZBFHGGJFSA-N 2 0 279.428 1.342 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001316657828 954558504 /nfs/dbraw/zinc/55/85/04/954558504.db2.gz QREVXOUFRNOREA-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001328049505 955172902 /nfs/dbraw/zinc/17/29/02/955172902.db2.gz HJMVUUDDMDSTMN-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001328258303 955244130 /nfs/dbraw/zinc/24/41/30/955244130.db2.gz OKYAJYGRGPGVDD-LSDHHAIUSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001328458042 955301113 /nfs/dbraw/zinc/30/11/13/955301113.db2.gz CUHDOULOSRMGPQ-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001493761013 972111145 /nfs/dbraw/zinc/11/11/45/972111145.db2.gz HTBRZFVCZZVNFZ-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001493874218 972131109 /nfs/dbraw/zinc/13/11/09/972131109.db2.gz AVVOTHHVYOUWEH-OAHLLOKOSA-N 2 0 281.444 1.423 10 30 CDEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001316704313 956925953 /nfs/dbraw/zinc/92/59/53/956925953.db2.gz PNADKQYDGSNSGA-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001316983411 957178816 /nfs/dbraw/zinc/17/88/16/957178816.db2.gz XMPLSGCUPFQGEX-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317067436 957240262 /nfs/dbraw/zinc/24/02/62/957240262.db2.gz XUVNXZOIRWQJIF-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001317100468 957269218 /nfs/dbraw/zinc/26/92/18/957269218.db2.gz RHWLLTDEOKMGII-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001331929399 957343923 /nfs/dbraw/zinc/34/39/23/957343923.db2.gz QYEFVGMIQCKVRI-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001332052545 957416917 /nfs/dbraw/zinc/41/69/17/957416917.db2.gz ZEOSPRHHUCCGHK-HUUCEWRRSA-N 2 0 291.439 1.627 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317934355 957824294 /nfs/dbraw/zinc/82/42/94/957824294.db2.gz WAJVFRWZKLWELM-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001367221189 957851706 /nfs/dbraw/zinc/85/17/06/957851706.db2.gz QKFYBJCPKBXERK-TZMCWYRMSA-N 2 0 299.846 1.661 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001332821950 957863777 /nfs/dbraw/zinc/86/37/77/957863777.db2.gz BHGFIFBIYNOICK-CQSZACIVSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH2+]C1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001333154718 958115885 /nfs/dbraw/zinc/11/58/85/958115885.db2.gz UUIGWFNQCGHJIG-UHFFFAOYSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)CCn2ccnc2)CC1 ZINC001333379761 958297656 /nfs/dbraw/zinc/29/76/56/958297656.db2.gz WFSSAXXSPLATKB-UHFFFAOYSA-N 2 0 274.368 1.208 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001319777073 958722319 /nfs/dbraw/zinc/72/23/19/958722319.db2.gz DUPKNPHWMJWMEQ-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001322194318 960127156 /nfs/dbraw/zinc/12/71/56/960127156.db2.gz RBIQUUONOHBXNV-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322218107 960137251 /nfs/dbraw/zinc/13/72/51/960137251.db2.gz KEAOVVDOJFERHZ-CQSZACIVSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC001336799083 960603066 /nfs/dbraw/zinc/60/30/66/960603066.db2.gz JVINYRMXDUPNEG-BBRMVZONSA-N 2 0 292.427 1.078 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001341695695 963514891 /nfs/dbraw/zinc/51/48/91/963514891.db2.gz ICECBVIWKDKIHP-GARJFASQSA-N 2 0 293.333 1.408 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001438761028 963543410 /nfs/dbraw/zinc/54/34/10/963543410.db2.gz ATCWEYMLQSAUGN-AAEUAGOBSA-N 2 0 287.835 1.517 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC001342345902 963716142 /nfs/dbraw/zinc/71/61/42/963716142.db2.gz DDAPHYBSNBKMBM-ZDUSSCGKSA-N 2 0 289.379 1.554 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001569382972 1169835470 /nfs/dbraw/zinc/83/54/70/1169835470.db2.gz IGACQGLLAHJMPZ-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001444982906 966038749 /nfs/dbraw/zinc/03/87/49/966038749.db2.gz GDMBRSSHWSBLGX-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001544454097 967360805 /nfs/dbraw/zinc/36/08/05/967360805.db2.gz ASPVZKIBDMAKBA-UONOGXRCSA-N 2 0 267.417 1.435 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001496285481 972873411 /nfs/dbraw/zinc/87/34/11/972873411.db2.gz PTSRKYRKHJFRNC-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001496370964 972901208 /nfs/dbraw/zinc/90/12/08/972901208.db2.gz XEMAPZPNLGMOBR-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001496560551 972971440 /nfs/dbraw/zinc/97/14/40/972971440.db2.gz FAAUOMXJEAFTMG-CVEARBPZSA-N 2 0 291.439 1.082 10 30 CDEERP C=CCCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497749613 973487528 /nfs/dbraw/zinc/48/75/28/973487528.db2.gz JWQHBXDHDAXATD-AFNCTOJWSA-N 2 0 265.401 1.166 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001498621587 974001509 /nfs/dbraw/zinc/00/15/09/974001509.db2.gz ODUZNVJSRMFDAX-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001502147761 974706663 /nfs/dbraw/zinc/70/66/63/974706663.db2.gz PMWHTPSMQMPFOI-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001505725081 974974733 /nfs/dbraw/zinc/97/47/33/974974733.db2.gz OYFZRFRBMARPAF-HUUCEWRRSA-N 2 0 293.455 1.613 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)CC[N@@H+](C)CCC)CCCCC1 ZINC001506521847 975173724 /nfs/dbraw/zinc/17/37/24/975173724.db2.gz ICNBPMWMLKURMJ-UHFFFAOYSA-N 2 0 293.455 1.760 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001506906009 975253223 /nfs/dbraw/zinc/25/32/23/975253223.db2.gz FPLANOYDIWRTJG-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001507161040 975358998 /nfs/dbraw/zinc/35/89/98/975358998.db2.gz HXTWFJDLAOYNDE-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001382118864 977174003 /nfs/dbraw/zinc/17/40/03/977174003.db2.gz JEZBLONBRSEWGE-DGCLKSJQSA-N 2 0 287.835 1.517 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001674154541 1173919398 /nfs/dbraw/zinc/91/93/98/1173919398.db2.gz LZQYKLIVEUKVBK-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001676368850 1174216077 /nfs/dbraw/zinc/21/60/77/1174216077.db2.gz LZVSSCLUAIFUBU-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001569987197 1170054088 /nfs/dbraw/zinc/05/40/88/1170054088.db2.gz OFBSXAWBSFZOJM-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]C1CCC(N(C)C(=O)CC[N@@H+](C)CCC)CC1 ZINC001570666303 1170226580 /nfs/dbraw/zinc/22/65/80/1170226580.db2.gz XKWAMPLKASILLC-UHFFFAOYSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001571003084 1170328209 /nfs/dbraw/zinc/32/82/09/1170328209.db2.gz WXZCSGBIRNNRFA-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001571023429 1170329769 /nfs/dbraw/zinc/32/97/69/1170329769.db2.gz QKCHDNVCZCAOBP-ARFHVFGLSA-N 2 0 291.439 1.177 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001571541991 1170469838 /nfs/dbraw/zinc/46/98/38/1170469838.db2.gz IQAHVUISZCGWMP-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001656241659 1171797683 /nfs/dbraw/zinc/79/76/83/1171797683.db2.gz WAQTWCHNWFRCSA-BZUAXINKSA-N 2 0 291.439 1.224 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001656241660 1171798978 /nfs/dbraw/zinc/79/89/78/1171798978.db2.gz WAQTWCHNWFRCSA-JYJNAYRXSA-N 2 0 291.439 1.224 10 30 CDEERP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C[N@@H+]1C1CC1 ZINC000594438605 342906445 /nfs/dbraw/zinc/90/64/45/342906445.db2.gz KOCUCSPXCWUGHY-YRGRVCCFSA-N 2 0 278.400 1.139 10 30 CDEERP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C(C)(C)C[NH+](C)C ZINC000594439460 342906600 /nfs/dbraw/zinc/90/66/00/342906600.db2.gz QRGDDYMJYUZOIA-STQMWFEESA-N 2 0 282.432 1.490 10 30 CDEERP CC(C)C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+](C)C ZINC000594441064 342907380 /nfs/dbraw/zinc/90/73/80/342907380.db2.gz MDEUNQLHFRYUHH-KBPBESRZSA-N 2 0 282.432 1.490 10 30 CDEERP CC1CC[NH+](CCNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594441269 342907382 /nfs/dbraw/zinc/90/73/82/342907382.db2.gz QIFHEDNFXIILCY-CQSZACIVSA-N 2 0 280.416 1.246 10 30 CDEERP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594449016 342909378 /nfs/dbraw/zinc/90/93/78/342909378.db2.gz BXHFELVNMHYUIZ-AWEZNQCLSA-N 2 0 280.416 1.198 10 30 CDEERP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600729790 342245613 /nfs/dbraw/zinc/24/56/13/342245613.db2.gz HXZRZLCTQPMNQH-HUUCEWRRSA-N 2 0 279.428 1.609 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000594425034 342904021 /nfs/dbraw/zinc/90/40/21/342904021.db2.gz JHDYOBYMRXXNDG-KBPBESRZSA-N 2 0 280.416 1.421 10 30 CDEERP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])CCCCC#N)CCCCC1 ZINC000594426295 342904396 /nfs/dbraw/zinc/90/43/96/342904396.db2.gz QLDSHWOYTODOCO-AWEZNQCLSA-N 2 0 294.443 1.778 10 30 CDEERP CN(CCC[NH2+]Cc1ccc(C#N)cc1F)CC[NH+](C)C ZINC000598918433 343926369 /nfs/dbraw/zinc/92/63/69/343926369.db2.gz CRACUKXELCFISB-UHFFFAOYSA-N 2 0 292.402 1.670 10 30 CDEERP C=CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001660202897 1172175511 /nfs/dbraw/zinc/17/55/11/1172175511.db2.gz DTCIZAOBBMHMGG-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP COc1ccccc1NC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000072272541 356717645 /nfs/dbraw/zinc/71/76/45/356717645.db2.gz RMYBTLYIZLSUFN-UHFFFAOYSA-N 2 0 276.384 1.764 10 30 CDEERP C[NH+](C)CC1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CCCC1 ZINC000600733022 358706375 /nfs/dbraw/zinc/70/63/75/358706375.db2.gz AJCOKICXTPPJRR-CQSZACIVSA-N 2 0 279.428 1.753 10 30 CDEERP CN1CCC([NH+]2CCC(Nc3ccncc3C#N)CC2)CC1 ZINC000368380621 374163641 /nfs/dbraw/zinc/16/36/41/374163641.db2.gz OMPLVTJAKNHZHT-UHFFFAOYSA-N 2 0 299.422 1.346 10 30 CDEERP C[NH+]1CCC(C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352843188 374370215 /nfs/dbraw/zinc/37/02/15/374370215.db2.gz YGUGFZFVOPNFNF-UHFFFAOYSA-N 2 0 250.371 1.446 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001662219233 1172509563 /nfs/dbraw/zinc/50/95/63/1172509563.db2.gz DOJKNFMBYHYTNH-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001662899204 1172611719 /nfs/dbraw/zinc/61/17/19/1172611719.db2.gz SGBHJXCSFVASHQ-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001662918501 1172614909 /nfs/dbraw/zinc/61/49/09/1172614909.db2.gz DLBRLAZBKBPOIF-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799581 391661881 /nfs/dbraw/zinc/66/18/81/391661881.db2.gz LERVVMWPKUZCRR-FQKPHLNHSA-N 2 0 250.386 1.555 10 30 CDEERP C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)N1CC[NH+](C)CC1 ZINC000269393070 132164895 /nfs/dbraw/zinc/16/48/95/132164895.db2.gz DEFDZADEMFMBIY-CYBMUJFWSA-N 2 0 290.386 1.423 10 30 CDEERP C=CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001663547159 1172719372 /nfs/dbraw/zinc/71/93/72/1172719372.db2.gz AMPKREHEEVAWRY-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001664534810 1172865384 /nfs/dbraw/zinc/86/53/84/1172865384.db2.gz OIVLNMGXRMMVRO-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC[NH2+]1 ZINC000662682244 413307818 /nfs/dbraw/zinc/30/78/18/413307818.db2.gz OYUDYHLYTUNPEM-OFQRWUPVSA-N 2 0 277.412 1.428 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662684335 413308013 /nfs/dbraw/zinc/30/80/13/413308013.db2.gz ZZTUITXABBOLGX-HOCLYGCPSA-N 2 0 279.428 1.675 10 30 CDEERP CC(C)(C)[NH+]1CCN(Cc2sccc2C#CC[NH3+])CC1 ZINC000043683992 175091532 /nfs/dbraw/zinc/09/15/32/175091532.db2.gz ANMSCOYUZRQZDT-UHFFFAOYSA-N 2 0 291.464 1.974 10 30 CDEERP [NH3+]CC#Cc1csc(C[N@@H+]2CCC[C@H]2CO)c1 ZINC000043689005 175095521 /nfs/dbraw/zinc/09/55/21/175095521.db2.gz ZHQYUITUKGSNHJ-LBPRGKRZSA-N 2 0 250.367 1.015 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)c1cccc2nccn21 ZINC001666585520 1173156449 /nfs/dbraw/zinc/15/64/49/1173156449.db2.gz ZLVJSHMFOPOPGB-ZDUSSCGKSA-N 2 0 286.379 1.866 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001670275648 1173669439 /nfs/dbraw/zinc/66/94/39/1173669439.db2.gz OJIBNSYIHXVRCE-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001670275649 1173669951 /nfs/dbraw/zinc/66/99/51/1173669951.db2.gz OJIBNSYIHXVRCE-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[N@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001671675076 1173702671 /nfs/dbraw/zinc/70/26/71/1173702671.db2.gz SPLTYFJOVDYMCM-GDBMZVCRSA-N 2 0 288.395 1.438 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001672335182 1173768040 /nfs/dbraw/zinc/76/80/40/1173768040.db2.gz VLJFXNSXVKVELM-CABCVRRESA-N 2 0 279.428 1.342 10 30 CDEERP C[NH+]=C(NC1CCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262756819 330029704 /nfs/dbraw/zinc/02/97/04/330029704.db2.gz BSECQVNZFBEAIY-ZDUSSCGKSA-N 2 0 264.417 1.532 10 30 CDEERP C[NH+](C)CCC1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528351876 330321503 /nfs/dbraw/zinc/32/15/03/330321503.db2.gz JELQYFIJUZFYFU-OAHLLOKOSA-N 2 0 279.428 1.705 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001698587027 1175857612 /nfs/dbraw/zinc/85/76/12/1175857612.db2.gz MJMIYTXANGSIQI-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267593552 1159495911 /nfs/dbraw/zinc/49/59/11/1159495911.db2.gz NGQLFJMHAKNWEL-HNNXBMFYSA-N 2 0 291.439 1.439 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001691499244 1159846967 /nfs/dbraw/zinc/84/69/67/1159846967.db2.gz SPXNUWUCJPENPQ-RRFJBIMHSA-N 2 0 281.444 1.728 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001691679081 1161560001 /nfs/dbraw/zinc/56/00/01/1161560001.db2.gz RFUVRUFWMDTORL-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C=CCCC[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001715071210 1179539632 /nfs/dbraw/zinc/53/96/32/1179539632.db2.gz IOFJFDVNRSKBMW-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#CC[NH3+])s2)C1 ZINC000049232060 521648220 /nfs/dbraw/zinc/64/82/20/521648220.db2.gz LGMYORDXKHVZHD-LBPRGKRZSA-N 2 0 291.420 1.272 10 30 CDEERP C[NH+](C)C[C@@H]1CCCN1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000061652301 521841365 /nfs/dbraw/zinc/84/13/65/521841365.db2.gz SVZJDIUXNZTLPA-INIZCTEOSA-N 2 0 289.398 1.662 10 30 CDEERP C[NH+](C)C[C@H]1CCCN1Cc1sccc1C#CC[NH3+] ZINC000061652288 521870537 /nfs/dbraw/zinc/87/05/37/521870537.db2.gz PADARZVNUVJNFA-CQSZACIVSA-N 2 0 277.437 1.584 10 30 CDEERP COCC[N@H+](CCOc1cccc(C#CC[NH3+])c1)C1CC1 ZINC000049609705 523727256 /nfs/dbraw/zinc/72/72/56/523727256.db2.gz VYZHJJKCYVPWBE-UHFFFAOYSA-N 2 0 288.391 1.486 10 30 CDEERP C[N@@H+]1CCCN(Cc2cccc(C#CC[NH3+])c2)CC1 ZINC000049608762 523810457 /nfs/dbraw/zinc/81/04/57/523810457.db2.gz HBYYJWFXEGHXTE-UHFFFAOYSA-N 2 0 257.381 1.134 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001698557851 1174845182 /nfs/dbraw/zinc/84/51/82/1174845182.db2.gz ODJREDAMVLBKSZ-LSDHHAIUSA-N 2 0 279.428 1.580 10 30 CDEERP C[C@@H](CC#N)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771558205 575589922 /nfs/dbraw/zinc/58/99/22/575589922.db2.gz WNEHWKOOMIHQRU-AWEZNQCLSA-N 2 0 285.395 1.664 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000764568825 575921332 /nfs/dbraw/zinc/92/13/32/575921332.db2.gz CKAZVASLMLPPIJ-OCCSQVGLSA-N 2 0 267.417 1.293 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001689193846 1175113902 /nfs/dbraw/zinc/11/39/02/1175113902.db2.gz HLCKABWBUPTYPY-ARFHVFGLSA-N 2 0 293.455 1.565 10 30 CDEERP C=CCC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001690012829 1175346147 /nfs/dbraw/zinc/34/61/47/1175346147.db2.gz RXWRMBPWCNORBR-UHFFFAOYSA-N 2 0 291.439 1.629 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001690227344 1175408652 /nfs/dbraw/zinc/40/86/52/1175408652.db2.gz MYVKMQMELIECNZ-STQMWFEESA-N 2 0 271.380 1.043 10 30 CDEERP C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000934473521 617599068 /nfs/dbraw/zinc/59/90/68/617599068.db2.gz YUXCVHSHVICTDE-ZIAGYGMSSA-N 2 0 265.401 1.189 10 30 CDEERP C[NH+](C)CCCN(CCC#N)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000896890620 620280670 /nfs/dbraw/zinc/28/06/70/620280670.db2.gz LUOTXPFSCOIDJM-INIZCTEOSA-N 2 0 292.427 1.166 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000900378957 622957073 /nfs/dbraw/zinc/95/70/73/622957073.db2.gz ZMPIRTUDKIUMDG-UHFFFAOYSA-N 2 0 280.416 1.188 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000900907442 623640121 /nfs/dbraw/zinc/64/01/21/623640121.db2.gz IGGNIBWMJHTTJJ-KGLIPLIRSA-N 2 0 265.401 1.189 10 30 CDEERP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(C#N)ccn1 ZINC000903042953 625792592 /nfs/dbraw/zinc/79/25/92/625792592.db2.gz MBBAUQAZZSAMOM-BNOWGMLFSA-N 2 0 258.369 1.944 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CC)CCC[NH+]1CCCC1 ZINC000907662704 627771818 /nfs/dbraw/zinc/77/18/18/627771818.db2.gz HHBLEEAOTBQSBW-UHFFFAOYSA-N 2 0 281.444 1.829 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](CC)C[C@@H]1C ZINC000910267172 628938576 /nfs/dbraw/zinc/93/85/76/628938576.db2.gz QCWGNBZITMXAJU-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1CC ZINC001670596526 1158654574 /nfs/dbraw/zinc/65/45/74/1158654574.db2.gz WLQKTBQOGCVFRK-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001283102029 1158787540 /nfs/dbraw/zinc/78/75/40/1158787540.db2.gz VZUYVOXTTKMXJW-RBSFLKMASA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001493308294 1159269172 /nfs/dbraw/zinc/26/91/72/1159269172.db2.gz HSAIGACUYJHRCM-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001482665016 1160594372 /nfs/dbraw/zinc/59/43/72/1160594372.db2.gz YOCUOQDDAUVBGD-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001691534187 1160602755 /nfs/dbraw/zinc/60/27/55/1160602755.db2.gz UYOXXTYQUUWYSZ-HDJSIYSDSA-N 2 0 277.412 1.143 10 30 CDEERP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691629136 1160770707 /nfs/dbraw/zinc/77/07/07/1160770707.db2.gz IRLJZDJNICMMOJ-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000876730778 1165903625 /nfs/dbraw/zinc/90/36/25/1165903625.db2.gz AFFZWVKCLBZNIP-ZDUSSCGKSA-N 2 0 287.835 1.789 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000876791262 1165916491 /nfs/dbraw/zinc/91/64/91/1165916491.db2.gz HRDZEEWPSFVGLN-LBPRGKRZSA-N 2 0 273.808 1.304 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH2+]C ZINC000876946279 1165946058 /nfs/dbraw/zinc/94/60/58/1165946058.db2.gz PWYJJKUSGDKBSS-CYBMUJFWSA-N 2 0 281.787 1.492 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000877010241 1165958788 /nfs/dbraw/zinc/95/87/88/1165958788.db2.gz QRWYDFXDTOJXER-BFHYXJOUSA-N 2 0 293.798 1.328 10 30 CDEERP C=CCC[NH+]1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001671202175 1167155862 /nfs/dbraw/zinc/15/58/62/1167155862.db2.gz PCJDRQPXFGQGCB-UHFFFAOYSA-N 2 0 279.428 1.581 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001567712737 1168930549 /nfs/dbraw/zinc/93/05/49/1168930549.db2.gz YBMOJYOYTIMSRE-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567742109 1168945341 /nfs/dbraw/zinc/94/53/41/1168945341.db2.gz LBTQQQOQAKFCDE-HOTGVXAUSA-N 2 0 291.439 1.132 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568180751 1169165279 /nfs/dbraw/zinc/16/52/79/1169165279.db2.gz XAAAOZKVLOXFPM-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001568450934 1169294128 /nfs/dbraw/zinc/29/41/28/1169294128.db2.gz FPTWPVMOWMTYNO-LSDHHAIUSA-N 2 0 279.428 1.223 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001570634649 1170217474 /nfs/dbraw/zinc/21/74/74/1170217474.db2.gz XGJSCBLQMJTVAQ-OLZOCXBDSA-N 2 0 267.417 1.080 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001571558833 1170477228 /nfs/dbraw/zinc/47/72/28/1170477228.db2.gz RNMLNMAVBDTDFG-GJZGRUSLSA-N 2 0 293.455 1.423 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001660207885 1172175383 /nfs/dbraw/zinc/17/53/83/1172175383.db2.gz SJIRRGMVRCYUER-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001662639354 1172573879 /nfs/dbraw/zinc/57/38/79/1172573879.db2.gz AFUIOPNQNDQYJC-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001668062065 1173365607 /nfs/dbraw/zinc/36/56/07/1173365607.db2.gz ZBLRLXCDJNUCRN-ZIAGYGMSSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001669399602 1173546487 /nfs/dbraw/zinc/54/64/87/1173546487.db2.gz FZXLEBJSGYSPLZ-DOMZBBRYSA-N 2 0 285.407 1.479 10 30 CDEERP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001669867936 1173620548 /nfs/dbraw/zinc/62/05/48/1173620548.db2.gz LRBVMKBTYUCJLJ-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001672209496 1173752168 /nfs/dbraw/zinc/75/21/68/1173752168.db2.gz OZHBTBJZVPFARO-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CC)C2)CC1 ZINC001672915585 1173808846 /nfs/dbraw/zinc/80/88/46/1173808846.db2.gz JAPAEEXRZWTSCK-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001674774659 1174009135 /nfs/dbraw/zinc/00/91/35/1174009135.db2.gz RHFIABLAFKQBTI-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001675801837 1174150987 /nfs/dbraw/zinc/15/09/87/1174150987.db2.gz JXJJTSJIACJDNL-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001676783368 1174271470 /nfs/dbraw/zinc/27/14/70/1174271470.db2.gz KRFTXRAEFGNDNE-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001690157062 1175390263 /nfs/dbraw/zinc/39/02/63/1175390263.db2.gz XFDXDUXKUNPGBM-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001690471869 1175478793 /nfs/dbraw/zinc/47/87/93/1175478793.db2.gz WUAUQWYBAHTJDH-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001690544277 1175491234 /nfs/dbraw/zinc/49/12/34/1175491234.db2.gz HGGOCLKYXBRMSH-NRXISQOPSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)Cc1[nH]cnc1C)c1ccccc1 ZINC001691799362 1175628925 /nfs/dbraw/zinc/62/89/25/1175628925.db2.gz ADEIXJANVPYKNO-INIZCTEOSA-N 2 0 298.390 1.894 10 30 CDEERP C#CCCN1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001692210438 1175702601 /nfs/dbraw/zinc/70/26/01/1175702601.db2.gz VWXIJZKHQKASHO-UHFFFAOYSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001698588468 1175858491 /nfs/dbraw/zinc/85/84/91/1175858491.db2.gz PTYDHVYYGLRGPI-UONOGXRCSA-N 2 0 267.417 1.435 10 30 CDEERP C=CCC[NH2+]C[C@@](C)(NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001698670084 1175891614 /nfs/dbraw/zinc/89/16/14/1175891614.db2.gz FKBBACTVCKKVJP-QGZVFWFLSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001698766640 1175924335 /nfs/dbraw/zinc/92/43/35/1175924335.db2.gz PBGQMAPLWNJLLX-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001698990310 1176017386 /nfs/dbraw/zinc/01/73/86/1176017386.db2.gz ZCLDUCYXQUEMAP-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001699440560 1176404746 /nfs/dbraw/zinc/40/47/46/1176404746.db2.gz FCOYJKAAOLFVMN-QLFBSQMISA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001699826727 1176645650 /nfs/dbraw/zinc/64/56/50/1176645650.db2.gz UCTAWTITCPLGSB-CQSZACIVSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001699970010 1176702323 /nfs/dbraw/zinc/70/23/23/1176702323.db2.gz NTLFAOSHANUZRN-LSDHHAIUSA-N 2 0 281.444 1.587 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001707258404 1177983830 /nfs/dbraw/zinc/98/38/30/1177983830.db2.gz REZVVJHCOCZLNZ-AGIUHOORSA-N 2 0 253.390 1.092 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001707447266 1178052145 /nfs/dbraw/zinc/05/21/45/1178052145.db2.gz XVHGPZKGVIURDY-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[N@H+](CC)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001707451240 1178054851 /nfs/dbraw/zinc/05/48/51/1178054851.db2.gz KRZBBTBBLARWBI-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001713002818 1178292988 /nfs/dbraw/zinc/29/29/88/1178292988.db2.gz OPAZJQVOTPKCJB-KGLIPLIRSA-N 2 0 288.395 1.335 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001713191416 1178422873 /nfs/dbraw/zinc/42/28/73/1178422873.db2.gz BEKUOOUDAPZBEP-XUWVNRHRSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001713420498 1178551719 /nfs/dbraw/zinc/55/17/19/1178551719.db2.gz UGGZBRVKVUCCLJ-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001713605341 1178678283 /nfs/dbraw/zinc/67/82/83/1178678283.db2.gz JKAWNTVUYWHHPZ-GFCCVEGCSA-N 2 0 273.808 1.271 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001714290333 1179068484 /nfs/dbraw/zinc/06/84/84/1179068484.db2.gz CUELHAQNEJTGOT-GDBMZVCRSA-N 2 0 287.407 1.407 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714391992 1179121047 /nfs/dbraw/zinc/12/10/47/1179121047.db2.gz YPIALRVMSSHMFZ-GOEBONIOSA-N 2 0 293.455 1.636 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001714849309 1179419290 /nfs/dbraw/zinc/41/92/90/1179419290.db2.gz WFPKOFIJRSEMGD-QGZVFWFLSA-N 2 0 299.418 1.551 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001715741691 1179787098 /nfs/dbraw/zinc/78/70/98/1179787098.db2.gz DWQPEWDIAFGTAR-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001715961816 1179943640 /nfs/dbraw/zinc/94/36/40/1179943640.db2.gz HQUGWIPWLFJFST-ZIAGYGMSSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001716360278 1180168066 /nfs/dbraw/zinc/16/80/66/1180168066.db2.gz RWXRWDKUWMOWBR-SREVYHEPSA-N 2 0 293.455 1.945 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001716623102 1180311990 /nfs/dbraw/zinc/31/19/90/1180311990.db2.gz BODBGRCOPKFVDH-GOEBONIOSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001716695589 1180375139 /nfs/dbraw/zinc/37/51/39/1180375139.db2.gz HUNWKWQPDIGDEB-OAHLLOKOSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716777567 1180411146 /nfs/dbraw/zinc/41/11/46/1180411146.db2.gz QAJYLDMVHBCTDM-HZSPNIEDSA-N 2 0 265.401 1.093 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001716888722 1180454321 /nfs/dbraw/zinc/45/43/21/1180454321.db2.gz IRQLSWMSNZYYBR-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717497661 1180709874 /nfs/dbraw/zinc/70/98/74/1180709874.db2.gz HJGXSHFKXUUMSH-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001717604358 1180755758 /nfs/dbraw/zinc/75/57/58/1180755758.db2.gz RESCLHVNRVEHBS-QKDCVEJESA-N 2 0 279.428 1.198 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001722917799 1181494335 /nfs/dbraw/zinc/49/43/35/1181494335.db2.gz XDXDFRCETSAFFI-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001723302179 1181535144 /nfs/dbraw/zinc/53/51/44/1181535144.db2.gz RMUYUTWRMQIEKG-LSDHHAIUSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001724545501 1181693039 /nfs/dbraw/zinc/69/30/39/1181693039.db2.gz PYPPWXZSHANITO-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001724707505 1181730417 /nfs/dbraw/zinc/73/04/17/1181730417.db2.gz LDKFNFSQVOGWPT-CVEARBPZSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001725465715 1182009822 /nfs/dbraw/zinc/00/98/22/1182009822.db2.gz GWCLHZZOXZZPOR-CWRNSKLLSA-N 2 0 291.439 1.177 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001731446611 1182390763 /nfs/dbraw/zinc/39/07/63/1182390763.db2.gz GANKNVIOXBIRNT-MGPQQGTHSA-N 2 0 265.401 1.284 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001732049357 1182741206 /nfs/dbraw/zinc/74/12/06/1182741206.db2.gz QIXMULFILUVUBJ-HUUCEWRRSA-N 2 0 297.418 1.128 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732436841 1182965207 /nfs/dbraw/zinc/96/52/07/1182965207.db2.gz JQYVFFBAUSKSJS-XJKSGUPXSA-N 2 0 299.434 1.821 10 30 CDEERP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001732998176 1183230601 /nfs/dbraw/zinc/23/06/01/1183230601.db2.gz AQPFNKSGTXIMNI-HOCLYGCPSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[NH2+]C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001733004850 1183232771 /nfs/dbraw/zinc/23/27/71/1183232771.db2.gz BZCRYHQUMOLKII-LBPRGKRZSA-N 2 0 285.351 1.161 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001733177640 1183319095 /nfs/dbraw/zinc/31/90/95/1183319095.db2.gz SKSPEDCVUFAWSG-HNNXBMFYSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001733876051 1183557106 /nfs/dbraw/zinc/55/71/06/1183557106.db2.gz SOHSLABGCOPJQE-HNNXBMFYSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733984746 1183601854 /nfs/dbraw/zinc/60/18/54/1183601854.db2.gz MNMYYEZKLDUSKM-UONOGXRCSA-N 2 0 281.444 1.920 10 30 CDEERP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001734094645 1183654926 /nfs/dbraw/zinc/65/49/26/1183654926.db2.gz UGLOHCWEHXNOSF-BZUAXINKSA-N 2 0 293.455 1.615 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001734559575 1183826564 /nfs/dbraw/zinc/82/65/64/1183826564.db2.gz CMEBJEZEGFEUFT-MGPQQGTHSA-N 2 0 279.428 1.080 10 30 CDEERP C[NH+](C)C[C@@H]1CN(c2cnccc2C#N)C[C@H]1C[NH+](C)C ZINC000866010814 784038248 /nfs/dbraw/zinc/03/82/48/784038248.db2.gz OIFVOELOYHSUFP-HUUCEWRRSA-N 2 0 287.411 1.129 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000876541905 784280343 /nfs/dbraw/zinc/28/03/43/784280343.db2.gz LSPUNASTSCQGDA-MNOVXSKESA-N 2 0 261.797 1.288 10 30 CDEERP C[NH+](C)C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1C[NH+](C)C ZINC000866012658 784412562 /nfs/dbraw/zinc/41/25/62/784412562.db2.gz MOAWGGQYGGQYLX-ZIAGYGMSSA-N 2 0 287.411 1.129 10 30 CDEERP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1C#N ZINC000925615476 785807421 /nfs/dbraw/zinc/80/74/21/785807421.db2.gz HDNUPGUIAXLATA-LSDHHAIUSA-N 2 0 271.364 1.926 10 30 CDEERP COc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1C#N ZINC000087824158 785822690 /nfs/dbraw/zinc/82/26/90/785822690.db2.gz LCFGPTUNXRIWBK-UHFFFAOYSA-N 2 0 259.353 1.926 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1OC ZINC000876506068 785860302 /nfs/dbraw/zinc/86/03/02/785860302.db2.gz DITHHEUYOOTJOR-NWDGAFQWSA-N 2 0 297.786 1.281 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000876851789 785865464 /nfs/dbraw/zinc/86/54/64/785865464.db2.gz OCMNHFSUIHJBBN-SRVKXCTJSA-N 2 0 273.808 1.338 10 30 CDEERP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000852358144 785890491 /nfs/dbraw/zinc/89/04/91/785890491.db2.gz NRCLOELMUYBDKE-AWEZNQCLSA-N 2 0 294.443 1.114 10 30 CDEERP C[NH+]=C(NC1CCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261972819 787354268 /nfs/dbraw/zinc/35/42/68/787354268.db2.gz NDYFMQRONZCJPV-WCQYABFASA-N 2 0 252.406 1.433 10 30 CDEERP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000104192594 787668257 /nfs/dbraw/zinc/66/82/57/787668257.db2.gz XGCVWFJUQKUXEF-CQSZACIVSA-N 2 0 276.384 1.524 10 30 CDEERP C#CCC(C)(C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000855347236 787817869 /nfs/dbraw/zinc/81/78/69/787817869.db2.gz ZEZYWRVMWLECAT-AWEZNQCLSA-N 2 0 281.444 1.424 10 30 CDEERP [NH3+]C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)C1CCCCC1 ZINC000852796574 788338783 /nfs/dbraw/zinc/33/87/83/788338783.db2.gz FOKCYLCTLLZZHI-OAHLLOKOSA-N 2 0 277.412 1.013 10 30 CDEERP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)[C@H]([NH3+])CCCC#N ZINC000867988096 788445451 /nfs/dbraw/zinc/44/54/51/788445451.db2.gz UDGACUQJJIDBEG-OCCSQVGLSA-N 2 0 286.379 1.833 10 30 CDEERP CC[NH+](CC)CCC[C@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852855217 788850829 /nfs/dbraw/zinc/85/08/29/788850829.db2.gz WWYWOQPXZVVANL-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000876937453 789811126 /nfs/dbraw/zinc/81/11/26/789811126.db2.gz WZTPURBHZMHIRC-KGLIPLIRSA-N 2 0 293.798 1.541 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC(C)(C)C[N@@H+](C)CCC ZINC000856280651 789849427 /nfs/dbraw/zinc/84/94/27/789849427.db2.gz AIWBGOIBXXCOES-UHFFFAOYSA-N 2 0 255.406 1.341 10 30 CDEERP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001565923432 1168200779 /nfs/dbraw/zinc/20/07/79/1168200779.db2.gz ZADHODWTDSOTDO-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001566745098 1168406515 /nfs/dbraw/zinc/40/65/15/1168406515.db2.gz GDCYLCUXSGYLRZ-CYBMUJFWSA-N 2 0 276.384 1.309 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001567154517 1168600341 /nfs/dbraw/zinc/60/03/41/1168600341.db2.gz GCGLZOTVAAYCMH-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001483693072 912852986 /nfs/dbraw/zinc/85/29/86/912852986.db2.gz KHKJLZCOYHRUJB-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001266377429 894627958 /nfs/dbraw/zinc/62/79/58/894627958.db2.gz WILAFUAUIJERCC-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001266468244 894995202 /nfs/dbraw/zinc/99/52/02/894995202.db2.gz MRGWQHXOLFCBNO-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266549993 895323500 /nfs/dbraw/zinc/32/35/00/895323500.db2.gz QLSYLUCFSBUXPI-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001266611348 895556730 /nfs/dbraw/zinc/55/67/30/895556730.db2.gz GOJZXXAOQYBPGL-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266614611 895578811 /nfs/dbraw/zinc/57/88/11/895578811.db2.gz KZIJZWCJXNANHA-RBSFLKMASA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001267145105 896913866 /nfs/dbraw/zinc/91/38/66/896913866.db2.gz NJMYTLZBPSUULX-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267185275 897058030 /nfs/dbraw/zinc/05/80/30/897058030.db2.gz LWRMZXZFVZBCEP-IIAWOOMASA-N 2 0 293.455 1.729 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267306691 897547190 /nfs/dbraw/zinc/54/71/90/897547190.db2.gz KITQHNMBLQTHRV-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001267308813 897551075 /nfs/dbraw/zinc/55/10/75/897551075.db2.gz GXUZUNNJYOFSHK-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP C=CCC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001267310160 897560574 /nfs/dbraw/zinc/56/05/74/897560574.db2.gz RFELXSJPMXMIGJ-CQSZACIVSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001567588345 1168875805 /nfs/dbraw/zinc/87/58/05/1168875805.db2.gz FNRGRUCXGGWWSS-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001267493828 898148818 /nfs/dbraw/zinc/14/88/18/898148818.db2.gz VMBMYSIJEMGQCE-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)CC[NH+](C)CCC)C1 ZINC001267548252 898324556 /nfs/dbraw/zinc/32/45/56/898324556.db2.gz BNYCGPPFHWFTQO-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001267570365 898422232 /nfs/dbraw/zinc/42/22/32/898422232.db2.gz NMMZBANAVYGJRT-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001567630120 1168897346 /nfs/dbraw/zinc/89/73/46/1168897346.db2.gz LFQXUQJZPQYWFM-CQSZACIVSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001567633660 1168898199 /nfs/dbraw/zinc/89/81/99/1168898199.db2.gz MKBPXMMZZJFDAM-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001283701295 898904893 /nfs/dbraw/zinc/90/48/93/898904893.db2.gz CBDJKRJCSIYANG-AWEZNQCLSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267686628 899275571 /nfs/dbraw/zinc/27/55/71/899275571.db2.gz SQMFHZDYQJFMPH-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+]C[C@@](C)(NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001267858043 899883840 /nfs/dbraw/zinc/88/38/40/899883840.db2.gz LIFASBJXIGHAHV-WMLDXEAASA-N 2 0 291.439 1.226 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@H](CC)[NH+](C)C ZINC001268493632 902376387 /nfs/dbraw/zinc/37/63/87/902376387.db2.gz XETJCZISOOTYFQ-LBPRGKRZSA-N 2 0 275.824 1.517 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001482150612 902767054 /nfs/dbraw/zinc/76/70/54/902767054.db2.gz YURNTVYNLGULFI-AWEZNQCLSA-N 2 0 279.428 1.084 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001482157116 902776308 /nfs/dbraw/zinc/77/63/08/902776308.db2.gz SBFCLZZOFJUJPL-CQSZACIVSA-N 2 0 279.428 1.082 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268668385 902926288 /nfs/dbraw/zinc/92/62/88/902926288.db2.gz VYNCMHGTFMIXFP-CQSZACIVSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001269765930 904098166 /nfs/dbraw/zinc/09/81/66/904098166.db2.gz NLYHHPVWLGFRSE-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001270018391 904272685 /nfs/dbraw/zinc/27/26/85/904272685.db2.gz ZHKCHEXIXXUJRV-SHTZXODSSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001270159615 904405109 /nfs/dbraw/zinc/40/51/09/904405109.db2.gz XLZBCCBJQUGIJD-INIZCTEOSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCC1 ZINC001270413022 904619936 /nfs/dbraw/zinc/61/99/36/904619936.db2.gz JDLVAWCSQRZEIU-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001270443571 904639048 /nfs/dbraw/zinc/63/90/48/904639048.db2.gz IOPWDAKVVVPIDS-LSDHHAIUSA-N 2 0 279.428 1.082 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482392895 905289786 /nfs/dbraw/zinc/28/97/86/905289786.db2.gz JXPGFXFBKVGMAB-HZPDHXFCSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001482435353 905402346 /nfs/dbraw/zinc/40/23/46/905402346.db2.gz RAIYFZFRKJGESE-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001482437008 905407785 /nfs/dbraw/zinc/40/77/85/905407785.db2.gz XMUSPKCGXGAJNY-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001270940713 905471812 /nfs/dbraw/zinc/47/18/12/905471812.db2.gz OALABTUEJDNNGN-RDJZCZTQSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001271517419 906495472 /nfs/dbraw/zinc/49/54/72/906495472.db2.gz DWXOWUBRFYJIEG-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001271659836 906574966 /nfs/dbraw/zinc/57/49/66/906574966.db2.gz LXGCWCNUCQHISZ-CABCVRRESA-N 2 0 293.455 1.588 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001271923273 906985256 /nfs/dbraw/zinc/98/52/56/906985256.db2.gz SODRUIGFVXFLGG-KBPBESRZSA-N 2 0 267.417 1.080 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483012350 908688393 /nfs/dbraw/zinc/68/83/93/908688393.db2.gz UAFLILOQSUPQHG-ABCZVMIZSA-N 2 0 277.412 1.166 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001568021446 1169121351 /nfs/dbraw/zinc/12/13/51/1169121351.db2.gz DCPQUXFMZBONKN-MRXNPFEDSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001507426103 911112122 /nfs/dbraw/zinc/11/21/22/911112122.db2.gz FVYAIQMEIXXQPA-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001484068947 915398490 /nfs/dbraw/zinc/39/84/90/915398490.db2.gz WCRAYBHKPADOPW-HNNXBMFYSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001484466354 915793152 /nfs/dbraw/zinc/79/31/52/915793152.db2.gz XVHUFDLTKIRPQB-LSDHHAIUSA-N 2 0 279.428 1.580 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485197032 916642248 /nfs/dbraw/zinc/64/22/48/916642248.db2.gz CFOFBBIHXUQZNJ-UONOGXRCSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001485311547 916793343 /nfs/dbraw/zinc/79/33/43/916793343.db2.gz BLXQEXRBLZIAKN-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001272713711 917565861 /nfs/dbraw/zinc/56/58/61/917565861.db2.gz HHFOTRPUHUNZJN-RBSFLKMASA-N 2 0 279.428 1.531 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001272777801 919255728 /nfs/dbraw/zinc/25/57/28/919255728.db2.gz KZOWMYAMMCTECV-JYJNAYRXSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001272881526 919962914 /nfs/dbraw/zinc/96/29/14/919962914.db2.gz HLWGMPYYTPCKOM-ZDUSSCGKSA-N 2 0 298.390 1.764 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001568312400 1169239844 /nfs/dbraw/zinc/23/98/44/1169239844.db2.gz LFNUHBKYPQCCHC-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001568331150 1169251517 /nfs/dbraw/zinc/25/15/17/1169251517.db2.gz MFTVAGUWBFQZSC-HNNXBMFYSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CCn2ccnc2)C1 ZINC001276404224 936829350 /nfs/dbraw/zinc/82/93/50/936829350.db2.gz AYYBWTDEBKRGIF-CQSZACIVSA-N 2 0 290.411 1.676 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)CC[N@@H+](C)CC)CCOCC1 ZINC001274007563 931097033 /nfs/dbraw/zinc/09/70/33/931097033.db2.gz NFBBORNKLFLPRZ-UHFFFAOYSA-N 2 0 297.443 1.159 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001274393877 931496887 /nfs/dbraw/zinc/49/68/87/931496887.db2.gz SNZXAOPAHQDTRY-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001274633434 931526543 /nfs/dbraw/zinc/52/65/43/931526543.db2.gz JWTOOSDJSGPGTP-KGLIPLIRSA-N 2 0 277.412 1.073 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001275114255 931668681 /nfs/dbraw/zinc/66/86/81/931668681.db2.gz HTGXWACLABEOAH-CABCVRRESA-N 2 0 297.418 1.222 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001275331687 931737367 /nfs/dbraw/zinc/73/73/67/931737367.db2.gz ORPBITSBRMLZKZ-UYSNPLJNSA-N 2 0 291.439 1.224 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001490856938 934561159 /nfs/dbraw/zinc/56/11/59/934561159.db2.gz VDSCTKMSZDGPGE-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)CCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001120678962 937825131 /nfs/dbraw/zinc/82/51/31/937825131.db2.gz MPPPSCHKMRVFFZ-HUUCEWRRSA-N 2 0 281.444 1.541 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001277094493 941944216 /nfs/dbraw/zinc/94/42/16/941944216.db2.gz XEASWPPCWKDGAD-CABCVRRESA-N 2 0 289.423 1.265 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001281476763 942581984 /nfs/dbraw/zinc/58/19/84/942581984.db2.gz ZJYRRWIQTVNGTA-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CCCn2ccnc2)C1 ZINC001282739307 942747870 /nfs/dbraw/zinc/74/78/70/942747870.db2.gz KIRIAVGWCPDNRS-CQSZACIVSA-N 2 0 290.411 1.676 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001284243191 943128197 /nfs/dbraw/zinc/12/81/97/943128197.db2.gz GZRWASJJVQHTCW-HUUCEWRRSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001264490990 944142125 /nfs/dbraw/zinc/14/21/25/944142125.db2.gz JHOVJQDJNGVXMO-JKSUJKDBSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265477031 944402731 /nfs/dbraw/zinc/40/27/31/944402731.db2.gz YXJNXSIPIZUUTG-RBSFLKMASA-N 2 0 277.412 1.119 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001265621535 944448511 /nfs/dbraw/zinc/44/85/11/944448511.db2.gz LQVPTMXHDYQBHI-JYJNAYRXSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001265630288 944451811 /nfs/dbraw/zinc/45/18/11/944451811.db2.gz LANWCIZXNYWRQT-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001265708312 944477070 /nfs/dbraw/zinc/47/70/70/944477070.db2.gz MKXKGUPVTFMWOE-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001278295155 945432070 /nfs/dbraw/zinc/43/20/70/945432070.db2.gz YRAMTFREFSLUAA-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1CC ZINC001479643713 971356538 /nfs/dbraw/zinc/35/65/38/971356538.db2.gz BAJJUAKTNCJVLQ-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001279098073 948839667 /nfs/dbraw/zinc/83/96/67/948839667.db2.gz YUTJETMSTKFKAF-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001278520300 949690502 /nfs/dbraw/zinc/69/05/02/949690502.db2.gz DLOVGCAGHLWWED-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001480208086 971628911 /nfs/dbraw/zinc/62/89/11/971628911.db2.gz SDAHRQYIJQGGKO-QLFBSQMISA-N 2 0 279.428 1.674 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001278592826 950316955 /nfs/dbraw/zinc/31/69/55/950316955.db2.gz GSHMVNJTJVYJBF-LSDHHAIUSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001278615211 950467048 /nfs/dbraw/zinc/46/70/48/950467048.db2.gz FLXXAAFLVDEHGD-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@H](C)CC)CC1 ZINC001569099270 1169645004 /nfs/dbraw/zinc/64/50/04/1169645004.db2.gz XHLLTWAPLSZJBE-CABCVRRESA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001569121471 1169667790 /nfs/dbraw/zinc/66/77/90/1169667790.db2.gz IVRJHINTLQBKNE-HOCLYGCPSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001325434305 953901232 /nfs/dbraw/zinc/90/12/32/953901232.db2.gz AGMGUNAZLNLIHF-CABCVRRESA-N 2 0 295.471 1.977 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001493297957 972009294 /nfs/dbraw/zinc/00/92/94/972009294.db2.gz ZFUNKMAYPQSGEZ-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001328281653 955250605 /nfs/dbraw/zinc/25/06/05/955250605.db2.gz DONPZPIAYJZOPC-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001328342594 955269393 /nfs/dbraw/zinc/26/93/93/955269393.db2.gz GNWQYESIFNNETG-KBPBESRZSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001491599578 955306830 /nfs/dbraw/zinc/30/68/30/955306830.db2.gz ADBBNJOOYPRCGZ-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001491806021 955472568 /nfs/dbraw/zinc/47/25/68/955472568.db2.gz XAOXBYFJSNIQME-ZBFHGGJFSA-N 2 0 291.439 1.342 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001493902972 972134455 /nfs/dbraw/zinc/13/44/55/972134455.db2.gz GMHKBJYFGXPXRD-IAGOWNOFSA-N 2 0 299.418 1.409 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001329625446 956030078 /nfs/dbraw/zinc/03/00/78/956030078.db2.gz VRDGZKLGGSLDFA-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001329845390 956139811 /nfs/dbraw/zinc/13/98/11/956139811.db2.gz FFFBLJWXDHHTRT-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001569234165 1169729179 /nfs/dbraw/zinc/72/91/79/1169729179.db2.gz IOSINXARBOSTHN-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001494172243 972193412 /nfs/dbraw/zinc/19/34/12/972193412.db2.gz NQFGMUMRVFPQFS-AWEZNQCLSA-N 2 0 277.412 1.049 10 30 CDEERP C=CCC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317510673 956762695 /nfs/dbraw/zinc/76/26/95/956762695.db2.gz RXEPYWWWCGHNJO-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001331327348 956971646 /nfs/dbraw/zinc/97/16/46/956971646.db2.gz YWZUDWHHMFRZTP-OAHLLOKOSA-N 2 0 293.455 1.424 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001317259851 957385240 /nfs/dbraw/zinc/38/52/40/957385240.db2.gz XRZSDNHQNORXQA-AWEZNQCLSA-N 2 0 293.455 1.757 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001317348816 957433358 /nfs/dbraw/zinc/43/33/58/957433358.db2.gz CPPQGRINRCSJGK-CABCVRRESA-N 2 0 291.439 1.511 10 30 CDEERP CC#CCN1CC(CNC(=O)CN(C)Cc2ccccc2)C1 ZINC001494635645 972272856 /nfs/dbraw/zinc/27/28/56/972272856.db2.gz KESDSVBPCDTVAK-UHFFFAOYSA-N 2 0 299.418 1.190 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317781024 957661761 /nfs/dbraw/zinc/66/17/61/957661761.db2.gz XIFUUUCBZKIIKW-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001317811966 957676003 /nfs/dbraw/zinc/67/60/03/957676003.db2.gz SVEVUZPARNNVBL-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)(C)C ZINC001332806590 957851696 /nfs/dbraw/zinc/85/16/96/957851696.db2.gz LQAQIZSHFOJOJP-GJZGRUSLSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001318367807 958063016 /nfs/dbraw/zinc/06/30/16/958063016.db2.gz ZIKZFMLVMWHJBE-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001318636246 958211344 /nfs/dbraw/zinc/21/13/44/958211344.db2.gz MMKLZYAHEFCJET-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001333319181 958246250 /nfs/dbraw/zinc/24/62/50/958246250.db2.gz BODVIXYNDSVBSM-GFCCVEGCSA-N 2 0 267.760 1.231 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001320465126 959188822 /nfs/dbraw/zinc/18/88/22/959188822.db2.gz XGIUQNXRPPTQJD-NWDGAFQWSA-N 2 0 275.824 1.564 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320769320 959380076 /nfs/dbraw/zinc/38/00/76/959380076.db2.gz HYJYCCJLMRAELY-ZDUSSCGKSA-N 2 0 287.835 1.661 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)C(C)C ZINC001321421589 959777788 /nfs/dbraw/zinc/77/77/88/959777788.db2.gz WSJGPAYLRAYSLW-VOTSOKGWSA-N 2 0 253.390 1.165 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001321543450 959844995 /nfs/dbraw/zinc/84/49/95/959844995.db2.gz RBJJFYMBOCPZAU-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001321947305 960025387 /nfs/dbraw/zinc/02/53/87/960025387.db2.gz QGJPXNMGGUHZKP-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001495370784 972482782 /nfs/dbraw/zinc/48/27/82/972482782.db2.gz MHTISAQQYZNFSH-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001495396976 972487806 /nfs/dbraw/zinc/48/78/06/972487806.db2.gz OZYBHGCAKUKNHG-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[NH+]1CCC(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001495539914 972531164 /nfs/dbraw/zinc/53/11/64/972531164.db2.gz HGNINHRFRYFEJW-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001324261237 961271784 /nfs/dbraw/zinc/27/17/84/961271784.db2.gz NZEMVVWCMAIUQD-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@](C)(C[NH3+])CC(C)C)CC1 ZINC001340077882 962730844 /nfs/dbraw/zinc/73/08/44/962730844.db2.gz SQMVORKDKXKTJJ-INIZCTEOSA-N 2 0 281.444 1.764 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001437301236 962794325 /nfs/dbraw/zinc/79/43/25/962794325.db2.gz IWHDLEMUPBNWKU-MGPQQGTHSA-N 2 0 299.846 1.517 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001441365087 964479197 /nfs/dbraw/zinc/47/91/97/964479197.db2.gz LLPRUKSNSVETDJ-AVGNSLFASA-N 2 0 285.819 1.175 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001445118065 966107292 /nfs/dbraw/zinc/10/72/92/966107292.db2.gz RPDRSNZJMORHGG-ZIAGYGMSSA-N 2 0 299.846 1.709 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001447684545 966845784 /nfs/dbraw/zinc/84/57/84/966845784.db2.gz PPWAKOCREPYGNG-LBPRGKRZSA-N 2 0 285.819 1.319 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001569541778 1169917501 /nfs/dbraw/zinc/91/75/01/1169917501.db2.gz XCJSZTLDHCYJSB-HOTGVXAUSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH2+]C ZINC001522669769 970533114 /nfs/dbraw/zinc/53/31/14/970533114.db2.gz ZAYBRQRBMMIGHU-STQMWFEESA-N 2 0 253.390 1.271 10 30 CDEERP C=CCC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001569646288 1169950261 /nfs/dbraw/zinc/95/02/61/1169950261.db2.gz HKXPAEHTOQKGOS-CQSZACIVSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001496063917 972783181 /nfs/dbraw/zinc/78/31/81/972783181.db2.gz MPTSBKPJEBPYOU-QLFBSQMISA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001496361017 972898171 /nfs/dbraw/zinc/89/81/71/972898171.db2.gz UVWFRXAMSXTODD-CABCVRRESA-N 2 0 293.455 1.424 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001496904936 973139399 /nfs/dbraw/zinc/13/93/99/973139399.db2.gz OTJAXLOQFQNBCJ-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001497615418 973435865 /nfs/dbraw/zinc/43/58/65/973435865.db2.gz MLRUEBMQXRLXOP-AFNCTOJWSA-N 2 0 265.401 1.309 10 30 CDEERP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001498325632 973831488 /nfs/dbraw/zinc/83/14/88/973831488.db2.gz HZYJILZYMPYPNM-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001498491749 973948469 /nfs/dbraw/zinc/94/84/69/973948469.db2.gz RMKSYYAXSVNODD-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001499462040 974258020 /nfs/dbraw/zinc/25/80/20/974258020.db2.gz WXSIKAVJNFVQER-ZIAGYGMSSA-N 2 0 277.412 1.121 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501638446 974615196 /nfs/dbraw/zinc/61/51/96/974615196.db2.gz WSPQLDGSPPGZOL-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCCC ZINC001503263290 974817769 /nfs/dbraw/zinc/81/77/69/974817769.db2.gz DEJUIXFSVRIWHU-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001505647053 974950141 /nfs/dbraw/zinc/95/01/41/974950141.db2.gz ZGUTVCCDKYMQHS-KBPBESRZSA-N 2 0 279.428 1.674 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001507159978 975359602 /nfs/dbraw/zinc/35/96/02/975359602.db2.gz ADZUTPOQZPSGND-CQSZACIVSA-N 2 0 289.423 1.984 10 30 CDEERP CC#CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001507355122 975429080 /nfs/dbraw/zinc/42/90/80/975429080.db2.gz KOGBTEJFLMIDRA-INMHGKMJSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001398455739 975993646 /nfs/dbraw/zinc/99/36/46/975993646.db2.gz LCJIATVTTQCKQI-CHWSQXEVSA-N 2 0 285.819 1.175 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001382118856 977174775 /nfs/dbraw/zinc/17/47/75/977174775.db2.gz JEZBLONBRSEWGE-AAEUAGOBSA-N 2 0 287.835 1.517 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001400918777 977243644 /nfs/dbraw/zinc/24/36/44/977243644.db2.gz WOGNSTYNGVOXJU-LBPRGKRZSA-N 2 0 285.819 1.319 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001674224261 1173925090 /nfs/dbraw/zinc/92/50/90/1173925090.db2.gz HSEUFLKLPXQHDU-KKUMJFAQSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001674953307 1174044009 /nfs/dbraw/zinc/04/40/09/1174044009.db2.gz HFCICGYVJOYTRL-CYBMUJFWSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001570736371 1170262268 /nfs/dbraw/zinc/26/22/68/1170262268.db2.gz WNWXXPIYUBPDNM-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001570780158 1170279782 /nfs/dbraw/zinc/27/97/82/1170279782.db2.gz ZZEAPRAFJALBBU-INIZCTEOSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001570932634 1170322026 /nfs/dbraw/zinc/32/20/26/1170322026.db2.gz VTCDRZGEUUMGSV-QKDCVEJESA-N 2 0 291.439 1.341 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001571192702 1170344803 /nfs/dbraw/zinc/34/48/03/1170344803.db2.gz OKESPQIQLRCFMA-LVQVYYBASA-N 2 0 293.455 1.777 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001655786394 1171723338 /nfs/dbraw/zinc/72/33/38/1171723338.db2.gz XWUOUDJPYCHXBJ-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594440060 342907071 /nfs/dbraw/zinc/90/70/71/342907071.db2.gz YWXMLKQMEHWNOG-HUUCEWRRSA-N 2 0 294.443 1.730 10 30 CDEERP C=CCCC[C@@H](C)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000091555639 342405478 /nfs/dbraw/zinc/40/54/78/342405478.db2.gz RNDYLEBDKZMMMK-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001660476875 1172219855 /nfs/dbraw/zinc/21/98/55/1172219855.db2.gz ZOVBFXLSPAEQOW-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001660826815 1172283442 /nfs/dbraw/zinc/28/34/42/1172283442.db2.gz ZZSXDRSXMRNWHZ-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528396927 367824635 /nfs/dbraw/zinc/82/46/35/367824635.db2.gz QDNOVWAOBQVKQL-UONOGXRCSA-N 2 0 265.401 1.315 10 30 CDEERP C=CCOCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000368430758 372655962 /nfs/dbraw/zinc/65/59/62/372655962.db2.gz ZACOYDICBKCWDD-UHFFFAOYSA-N 2 0 261.369 1.843 10 30 CDEERP C=CC[C@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000651750058 412805790 /nfs/dbraw/zinc/80/57/90/412805790.db2.gz UTNNBVACQTZXAT-JKSUJKDBSA-N 2 0 265.445 1.958 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001663968802 1172796354 /nfs/dbraw/zinc/79/63/54/1172796354.db2.gz WIXNPWSICRGVCQ-CYBMUJFWSA-N 2 0 287.835 1.661 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@H+]2CC)CCC[NH2+]1 ZINC000662661193 413264808 /nfs/dbraw/zinc/26/48/08/413264808.db2.gz MIUXJPZPNHPCCE-UKRRQHHQSA-N 2 0 265.401 1.285 10 30 CDEERP C=CC[C@@]1(C(=O)Nc2ccc(OCC[NH3+])cc2)CCC[NH2+]1 ZINC000662764634 413459750 /nfs/dbraw/zinc/45/97/50/413459750.db2.gz LPQQJZMCKAFUCO-INIZCTEOSA-N 2 0 289.379 1.661 10 30 CDEERP C=CC[C@@H](CO)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657426375 414311696 /nfs/dbraw/zinc/31/16/96/414311696.db2.gz BYTAVKCJHKTIPM-CYBMUJFWSA-N 2 0 272.352 1.542 10 30 CDEERP [NH3+]CC#Cc1cccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000043427222 175040849 /nfs/dbraw/zinc/04/08/49/175040849.db2.gz RVWPXOGEIRVFRC-IRXDYDNUSA-N 2 0 270.376 1.750 10 30 CDEERP CCC[N@H+](CCO)Cc1sccc1C#CC[NH3+] ZINC000043683878 175092092 /nfs/dbraw/zinc/09/20/92/175092092.db2.gz GTPKJGDAXOCSLU-UHFFFAOYSA-N 2 0 252.383 1.263 10 30 CDEERP [NH3+]CC#Cc1ccc(CN2CC[NH+](CC3CC3)CC2)s1 ZINC000043684048 175092146 /nfs/dbraw/zinc/09/21/46/175092146.db2.gz SCUOILUVHKJXPP-UHFFFAOYSA-N 2 0 289.448 1.586 10 30 CDEERP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043684115 175093233 /nfs/dbraw/zinc/09/32/33/175093233.db2.gz XIBRSZSZMNTLRE-VXGBXAGGSA-N 2 0 291.420 1.144 10 30 CDEERP C=CC[C@@]1(C(=O)N(C)CC[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662833742 424515701 /nfs/dbraw/zinc/51/57/01/424515701.db2.gz QHYSJTGIBFCZDL-INIZCTEOSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001669861901 1173620337 /nfs/dbraw/zinc/62/03/37/1173620337.db2.gz GQXUINSGBKKTAM-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C[C@H]1COCC[C@@H]1[NH2+]CC#CC[NH2+][C@H]1CCOC[C@H]1C ZINC000342139720 328417550 /nfs/dbraw/zinc/41/75/50/328417550.db2.gz XGNQRZTVELWNTR-FZKCQIBNSA-N 2 0 280.412 1.019 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424167556 330309897 /nfs/dbraw/zinc/30/98/97/330309897.db2.gz CRCFYHXPJPBSCO-YJNKXOJESA-N 2 0 250.386 1.794 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001716482969 1180244218 /nfs/dbraw/zinc/24/42/18/1180244218.db2.gz VTWISJXPELGLPZ-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001725186086 1181914420 /nfs/dbraw/zinc/91/44/20/1181914420.db2.gz MRICDGLMGOZRMP-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C[NH+](C)C[C@H]1CCCN1C(=O)c1ccccc1C#CC[NH3+] ZINC000061655672 521865701 /nfs/dbraw/zinc/86/57/01/521865701.db2.gz URXCCQSNJMYNEW-OAHLLOKOSA-N 2 0 285.391 1.163 10 30 CDEERP CN(Cc1ccc(F)cc1C#CC[NH3+])C1CC[NH+](C)CC1 ZINC000049608602 523254495 /nfs/dbraw/zinc/25/44/95/523254495.db2.gz FFWAWSUVANZPRK-UHFFFAOYSA-N 2 0 289.398 1.662 10 30 CDEERP C[C@@H]1CC[N@H+](CCOc2ccc(C#CC[NH3+])cc2)C1 ZINC000049609452 524504424 /nfs/dbraw/zinc/50/44/24/524504424.db2.gz HWPKLHLCOGYFHC-CQSZACIVSA-N 2 0 258.365 1.717 10 30 CDEERP [NH3+]CC#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CO ZINC000049609777 527153562 /nfs/dbraw/zinc/15/35/62/527153562.db2.gz MZLWUINDZOLCFR-MRXNPFEDSA-N 2 0 258.365 1.344 10 30 CDEERP CC#CCCNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001681516904 1174582198 /nfs/dbraw/zinc/58/21/98/1174582198.db2.gz YUAWKSIYTMJXQO-UHFFFAOYSA-N 2 0 296.459 1.315 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001698594090 1175194564 /nfs/dbraw/zinc/19/45/64/1175194564.db2.gz FJZBWBLRBURAIQ-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218753 613784618 /nfs/dbraw/zinc/78/46/18/613784618.db2.gz YYVXXHGXGUPCHO-KGLIPLIRSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000900632585 623319188 /nfs/dbraw/zinc/31/91/88/623319188.db2.gz BDEYDVODCMZDMI-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP C=CCC[C@H]([NH2+]C[C@]1(O)CCN(C)C1)[C@]1(C)CCCCO1 ZINC000902953779 625689129 /nfs/dbraw/zinc/68/91/29/625689129.db2.gz JYRRSHJXAWENEG-YESZJQIVSA-N 2 0 296.455 1.937 10 30 CDEERP C=C[C@@H]1CCCC[N@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903914764 626133896 /nfs/dbraw/zinc/13/38/96/626133896.db2.gz VWNYLXPDTUAXFD-GOEBONIOSA-N 2 0 276.428 1.886 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000907323636 627609891 /nfs/dbraw/zinc/60/98/91/627609891.db2.gz HXSYGJKCCYUCMC-UHFFFAOYSA-N 2 0 262.357 1.594 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000876799551 630569626 /nfs/dbraw/zinc/56/96/26/630569626.db2.gz HLFFNUREONJGPI-YFKTTZPYSA-N 2 0 271.792 1.042 10 30 CDEERP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001772515996 1158543867 /nfs/dbraw/zinc/54/38/67/1158543867.db2.gz GAFGPWNDVOJOFX-LSDHHAIUSA-N 2 0 279.428 1.130 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001670544491 1158635024 /nfs/dbraw/zinc/63/50/24/1158635024.db2.gz MDRNIRCHFQXMTL-ZBFHGGJFSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001266913397 1158982859 /nfs/dbraw/zinc/98/28/59/1158982859.db2.gz GSFNTGMUIMKKOH-UHFFFAOYSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001691268278 1158986062 /nfs/dbraw/zinc/98/60/62/1158986062.db2.gz ISONOJISZPRAFV-HRCADAONSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001690341743 1175443584 /nfs/dbraw/zinc/44/35/84/1175443584.db2.gz UQBYXJXUQPAEBK-MJBXVCDLSA-N 2 0 265.401 1.284 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001266488097 1158557147 /nfs/dbraw/zinc/55/71/47/1158557147.db2.gz CDXLGQXUWUXMDR-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001700976229 1160196032 /nfs/dbraw/zinc/19/60/32/1160196032.db2.gz LHQHCAUOEPOEJY-MRXNPFEDSA-N 2 0 293.455 1.520 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000876950619 1165947775 /nfs/dbraw/zinc/94/77/75/1165947775.db2.gz QXNHMACVHINTFC-NSHDSACASA-N 2 0 259.781 1.044 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567689255 1168067236 /nfs/dbraw/zinc/06/72/36/1168067236.db2.gz SECRMCZGDAMZFE-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001568321250 1169243903 /nfs/dbraw/zinc/24/39/03/1169243903.db2.gz XLTOGMBDNWRINU-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CCN(C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001568498850 1169333107 /nfs/dbraw/zinc/33/31/07/1169333107.db2.gz SEVAEIRBHOFWLG-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](C(C)C)CC1 ZINC001569596271 1169932554 /nfs/dbraw/zinc/93/25/54/1169932554.db2.gz UQLZMHCKZFRSPT-HNNXBMFYSA-N 2 0 291.439 1.273 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001569692754 1169968159 /nfs/dbraw/zinc/96/81/59/1169968159.db2.gz BFKNSOBMENBRTC-KRWDZBQOSA-N 2 0 291.439 1.324 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001571545675 1170472605 /nfs/dbraw/zinc/47/26/05/1170472605.db2.gz FPEDJQDDICHNFY-JKSUJKDBSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001571638646 1170504782 /nfs/dbraw/zinc/50/47/82/1170504782.db2.gz VUEYJKJLTZPXKP-KGLIPLIRSA-N 2 0 281.444 1.635 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001662512194 1172555952 /nfs/dbraw/zinc/55/59/52/1172555952.db2.gz KYQUVFJJCBUXFK-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001662940591 1172617700 /nfs/dbraw/zinc/61/77/00/1172617700.db2.gz UJOVKLRSPFQWQN-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001691750703 1173886202 /nfs/dbraw/zinc/88/62/02/1173886202.db2.gz VCOVRALJDVVWQJ-GASCZTMLSA-N 2 0 291.439 1.533 10 30 CDEERP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001675522246 1174124262 /nfs/dbraw/zinc/12/42/62/1174124262.db2.gz KQTYOLWXWLUYFQ-XQLPTFJDSA-N 2 0 297.418 1.146 10 30 CDEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001689019425 1175084896 /nfs/dbraw/zinc/08/48/96/1175084896.db2.gz UGLRGJPASVMSFK-SOUVJXGZSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001690383278 1175457689 /nfs/dbraw/zinc/45/76/89/1175457689.db2.gz LLRWOCDOVLJKCI-LSDHHAIUSA-N 2 0 297.418 1.128 10 30 CDEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001692135449 1175680607 /nfs/dbraw/zinc/68/06/07/1175680607.db2.gz VBCWUTLETWDTPJ-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001698573954 1175851065 /nfs/dbraw/zinc/85/10/65/1175851065.db2.gz OAWKRVKLKAJJRZ-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001698597360 1175862891 /nfs/dbraw/zinc/86/28/91/1175862891.db2.gz QCSGPIGHLPGMGV-CABCVRRESA-N 2 0 279.428 1.367 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001698680186 1175894487 /nfs/dbraw/zinc/89/44/87/1175894487.db2.gz WDBSWAPCFKYKPG-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001698747563 1175916358 /nfs/dbraw/zinc/91/63/58/1175916358.db2.gz DGEXMQKDHLFFKZ-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001698778150 1175928519 /nfs/dbraw/zinc/92/85/19/1175928519.db2.gz PAJGPLSKBCZRGG-HNNXBMFYSA-N 2 0 279.428 1.228 10 30 CDEERP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001699021127 1176046569 /nfs/dbraw/zinc/04/65/69/1176046569.db2.gz OOQFMPNKEKOXFS-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCC(C)C)CC1 ZINC001699388368 1176346026 /nfs/dbraw/zinc/34/60/26/1176346026.db2.gz QWUOIFDJSVNUNL-OAHLLOKOSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001699610010 1176497845 /nfs/dbraw/zinc/49/78/45/1176497845.db2.gz MSPISLPMYGOTOW-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001699743906 1176600546 /nfs/dbraw/zinc/60/05/46/1176600546.db2.gz RNYVIEWLLRRNGV-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001699836460 1176650571 /nfs/dbraw/zinc/65/05/71/1176650571.db2.gz IWQZVRWYHDEELQ-UXLLHSPISA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001699949081 1176692943 /nfs/dbraw/zinc/69/29/43/1176692943.db2.gz BKPJXHXMUULQGF-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700125598 1176757798 /nfs/dbraw/zinc/75/77/98/1176757798.db2.gz WAWKNFSHXMNQHV-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001700187140 1176789395 /nfs/dbraw/zinc/78/93/95/1176789395.db2.gz JTHWAJFQFPJITA-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001700222942 1176805968 /nfs/dbraw/zinc/80/59/68/1176805968.db2.gz QWYXHEJHMWNOKF-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001700407946 1176910745 /nfs/dbraw/zinc/91/07/45/1176910745.db2.gz GCAVHOJVGCECLG-HUUCEWRRSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCCC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001701023056 1177244228 /nfs/dbraw/zinc/24/42/28/1177244228.db2.gz QQSNUMMDDIFFTB-UHFFFAOYSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001723408496 1178121052 /nfs/dbraw/zinc/12/10/52/1178121052.db2.gz XOONFDKGYNXJHF-KGLIPLIRSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001713199918 1178426694 /nfs/dbraw/zinc/42/66/94/1178426694.db2.gz UMNIZRISQNSFCG-ZQDZILKHSA-N 2 0 279.428 1.530 10 30 CDEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001713683417 1178707095 /nfs/dbraw/zinc/70/70/95/1178707095.db2.gz WMTZGZNJLXKOJU-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713738968 1178731432 /nfs/dbraw/zinc/73/14/32/1178731432.db2.gz NFBMIRXHLOKDKG-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001714083075 1178964948 /nfs/dbraw/zinc/96/49/48/1178964948.db2.gz VVYSRTGKTJVNJP-CYBMUJFWSA-N 2 0 284.363 1.374 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001714149565 1178992376 /nfs/dbraw/zinc/99/23/76/1178992376.db2.gz ZDGVVNOQJNYWGY-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001714365717 1179106417 /nfs/dbraw/zinc/10/64/17/1179106417.db2.gz JQNMPLWJOHDGOL-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715026598 1179515379 /nfs/dbraw/zinc/51/53/79/1179515379.db2.gz VLVACUWGFJNVCC-HNNXBMFYSA-N 2 0 277.412 1.027 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001715202034 1179575485 /nfs/dbraw/zinc/57/54/85/1179575485.db2.gz MKODKODBOQJFFE-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715225981 1179585344 /nfs/dbraw/zinc/58/53/44/1179585344.db2.gz DTPMTXNURVUTMB-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001715238814 1179591358 /nfs/dbraw/zinc/59/13/58/1179591358.db2.gz IUXMOUSQPWDANC-GJZGRUSLSA-N 2 0 281.444 1.635 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001715467054 1179674603 /nfs/dbraw/zinc/67/46/03/1179674603.db2.gz PEJGZVPEVFSSBX-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001715648269 1179751920 /nfs/dbraw/zinc/75/19/20/1179751920.db2.gz ZIVYBZFFUUHCDW-LSDHHAIUSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001715775043 1179801252 /nfs/dbraw/zinc/80/12/52/1179801252.db2.gz GCTOPYBPVLCQPH-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001716042564 1180017157 /nfs/dbraw/zinc/01/71/57/1180017157.db2.gz QMZGFJHSKGRYSV-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716350239 1180164391 /nfs/dbraw/zinc/16/43/91/1180164391.db2.gz DDKUZZBHCRKLOM-LFAOLKIESA-N 2 0 279.428 1.699 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001716559331 1180283953 /nfs/dbraw/zinc/28/39/53/1180283953.db2.gz HOBVGESYSYLHNY-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001716618583 1180308480 /nfs/dbraw/zinc/30/84/80/1180308480.db2.gz GTJYZONDDNCBRZ-BPUTZDHNSA-N 2 0 291.439 1.224 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001716660072 1180345432 /nfs/dbraw/zinc/34/54/32/1180345432.db2.gz LKGNGXSAXDKJNX-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001716661289 1180346870 /nfs/dbraw/zinc/34/68/70/1180346870.db2.gz IINCWUWLXKQWKH-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001716993115 1180495168 /nfs/dbraw/zinc/49/51/68/1180495168.db2.gz FTKHVLDKJAKMRS-CABCVRRESA-N 2 0 279.428 1.036 10 30 CDEERP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001717606475 1180755875 /nfs/dbraw/zinc/75/58/75/1180755875.db2.gz UCBNXSVGABRQEN-FPCVCCKLSA-N 2 0 291.439 1.198 10 30 CDEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001717693918 1180793318 /nfs/dbraw/zinc/79/33/18/1180793318.db2.gz AUMIXQTUKVGJCT-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001723176382 1181524722 /nfs/dbraw/zinc/52/47/22/1181524722.db2.gz NBKZBUFXFVFDDH-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001723632775 1181593165 /nfs/dbraw/zinc/59/31/65/1181593165.db2.gz SSOODJGMFUMHIA-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCC)CC1 ZINC001724064749 1181632286 /nfs/dbraw/zinc/63/22/86/1181632286.db2.gz IPJVEYWSBITAHG-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001724849028 1181773658 /nfs/dbraw/zinc/77/36/58/1181773658.db2.gz XZDHAQRTQIDTOQ-HNNXBMFYSA-N 2 0 297.443 1.064 10 30 CDEERP C=CCOCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001725171034 1181903375 /nfs/dbraw/zinc/90/33/75/1181903375.db2.gz CZZUSABEPPITMI-HUUCEWRRSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001725176848 1181907813 /nfs/dbraw/zinc/90/78/13/1181907813.db2.gz APGZZHRGDHVIKK-CYBMUJFWSA-N 2 0 267.417 1.034 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001725230002 1181928147 /nfs/dbraw/zinc/92/81/47/1181928147.db2.gz QOVTUSRYTQHSNF-UHFFFAOYSA-N 2 0 293.455 1.760 10 30 CDEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001725366287 1181975839 /nfs/dbraw/zinc/97/58/39/1181975839.db2.gz GZCTUZHPNZYTTD-SHTZXODSSA-N 2 0 291.439 1.533 10 30 CDEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725469993 1182010948 /nfs/dbraw/zinc/01/09/48/1182010948.db2.gz KKGRCGWGYKMOHP-GDBMZVCRSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725470949 1182011408 /nfs/dbraw/zinc/01/14/08/1182011408.db2.gz QHLYYRKEYWDMEC-GDBMZVCRSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001731492480 1182419235 /nfs/dbraw/zinc/41/92/35/1182419235.db2.gz BFWQNVRXHIBELB-XHSDSOJGSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001731509756 1182427513 /nfs/dbraw/zinc/42/75/13/1182427513.db2.gz AXMRFRKXPBYABX-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001731527292 1182436056 /nfs/dbraw/zinc/43/60/56/1182436056.db2.gz QZDZQUUKLIWMAT-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001731917278 1182677711 /nfs/dbraw/zinc/67/77/11/1182677711.db2.gz KNOMRVBUJKNIKK-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001731925027 1182682067 /nfs/dbraw/zinc/68/20/67/1182682067.db2.gz DJKUBNHFXGEIQP-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001732003212 1182720459 /nfs/dbraw/zinc/72/04/59/1182720459.db2.gz YULYRIPKIXLUPB-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001732422683 1182958384 /nfs/dbraw/zinc/95/83/84/1182958384.db2.gz JVTQZDQWSRLIGN-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001732598164 1183039268 /nfs/dbraw/zinc/03/92/68/1183039268.db2.gz JAFMHSFXIFZAQF-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001732600276 1183041899 /nfs/dbraw/zinc/04/18/99/1183041899.db2.gz MXSLGETWPVCDAH-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001732612940 1183048313 /nfs/dbraw/zinc/04/83/13/1183048313.db2.gz LHFBXKIZLACPTA-GOEBONIOSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001732923104 1183186831 /nfs/dbraw/zinc/18/68/31/1183186831.db2.gz LCIFZNJVCAXQEM-WAYWQWQTSA-N 2 0 277.412 1.310 10 30 CDEERP C#CC[NH+]1CCC[C@@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001733462644 1183438736 /nfs/dbraw/zinc/43/87/36/1183438736.db2.gz OFSCBIFPZMPDNN-INIZCTEOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001733899540 1183563207 /nfs/dbraw/zinc/56/32/07/1183563207.db2.gz JILPIKVBQUTOFX-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001733953986 1183582580 /nfs/dbraw/zinc/58/25/80/1183582580.db2.gz XRRDZSNIYNIRQN-UHFFFAOYSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001734054171 1183638864 /nfs/dbraw/zinc/63/88/64/1183638864.db2.gz RDCVAEWNDYIOLH-CZUORRHYSA-N 2 0 299.434 1.821 10 30 CDEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001734076415 1183648474 /nfs/dbraw/zinc/64/84/74/1183648474.db2.gz BUODKESNPVZBMO-HOTGVXAUSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001734166706 1183681423 /nfs/dbraw/zinc/68/14/23/1183681423.db2.gz DJRIWIRSCDTYDQ-QKDCVEJESA-N 2 0 291.439 1.198 10 30 CDEERP CC#CC[N@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001734268793 1183709131 /nfs/dbraw/zinc/70/91/31/1183709131.db2.gz AXJSGOWTQKDXTE-UHFFFAOYSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCC[NH+]1CCC([C@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001734587431 1183836312 /nfs/dbraw/zinc/83/63/12/1183836312.db2.gz LFVHDIZELJPDEY-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000877146548 790996604 /nfs/dbraw/zinc/99/66/04/790996604.db2.gz JORCZJORDWUINC-ZDUSSCGKSA-N 2 0 299.846 1.933 10 30 CDEERP C[NH+]=C(NCc1cc(C)no1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245583417 791072943 /nfs/dbraw/zinc/07/29/43/791072943.db2.gz DGBDNCAKHULQDQ-BXUZGUMPSA-N 2 0 293.415 1.377 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000876766945 790015824 /nfs/dbraw/zinc/01/58/24/790015824.db2.gz WUVPDGRTTKZTEV-RYUDHWBXSA-N 2 0 273.808 1.447 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000876946665 791606861 /nfs/dbraw/zinc/60/68/61/791606861.db2.gz NZGAMSOTVKJLGA-GVXVVHGQSA-N 2 0 271.792 1.044 10 30 CDEERP [NH3+]CCC[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccccc1 ZINC000852891710 792237310 /nfs/dbraw/zinc/23/73/10/792237310.db2.gz WEVWODOAFRPQJU-KRWDZBQOSA-N 2 0 299.418 1.586 10 30 CDEERP C#CC[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000829768714 792819860 /nfs/dbraw/zinc/81/98/60/792819860.db2.gz IWRBDYDZXCZXPM-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000907280996 792872713 /nfs/dbraw/zinc/87/27/13/792872713.db2.gz FIQAJWRNCITHBQ-CYBMUJFWSA-N 2 0 265.401 1.261 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000876728844 792904676 /nfs/dbraw/zinc/90/46/76/792904676.db2.gz XSTAQHRAATVRFE-NWDGAFQWSA-N 2 0 273.808 1.257 10 30 CDEERP N#CC1CCC(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000931067307 794595379 /nfs/dbraw/zinc/59/53/79/794595379.db2.gz PGNWOMCJJWVRQV-DQPZFDDXSA-N 2 0 291.439 1.847 10 30 CDEERP C[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261944230 794820798 /nfs/dbraw/zinc/82/07/98/794820798.db2.gz FGVZBYPJWJWEGB-MELADBBJSA-N 2 0 282.432 1.059 10 30 CDEERP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC[C@@H]1CCCS1 ZINC000261970960 794864073 /nfs/dbraw/zinc/86/40/73/794864073.db2.gz MVOGXPMZWUXXMA-NEPJUHHUSA-N 2 0 270.446 1.141 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000876787329 795074896 /nfs/dbraw/zinc/07/48/96/795074896.db2.gz GYXSMRXTEDJBNX-MBYGNEARSA-N 2 0 271.792 1.198 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)CCC[NH2+]1 ZINC000877206121 795556730 /nfs/dbraw/zinc/55/67/30/795556730.db2.gz DBNSCBHWNLILAC-INIZCTEOSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001569145306 1167552215 /nfs/dbraw/zinc/55/22/15/1167552215.db2.gz GGXVWEOUEDAGBV-CQSZACIVSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001566910424 1168042011 /nfs/dbraw/zinc/04/20/11/1168042011.db2.gz SOAMFDJYEJQDJK-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001566071095 1168226932 /nfs/dbraw/zinc/22/69/32/1168226932.db2.gz HHAANEBAAMMQPG-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001566611652 1168355210 /nfs/dbraw/zinc/35/52/10/1168355210.db2.gz LDSYFSYQBFGXAI-UHFFFAOYSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001566827377 1168434945 /nfs/dbraw/zinc/43/49/45/1168434945.db2.gz QRCMSZZLTMMLFG-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001566839053 1168439482 /nfs/dbraw/zinc/43/94/82/1168439482.db2.gz LMJRXFFROSPZBQ-ZNMIVQPWSA-N 2 0 279.428 1.672 10 30 CDEERP C=CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266252654 893926303 /nfs/dbraw/zinc/92/63/03/893926303.db2.gz XYJXSWCSKAWCMN-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266463317 894986308 /nfs/dbraw/zinc/98/63/08/894986308.db2.gz JBPRRLUJYSLERU-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001266468545 894994763 /nfs/dbraw/zinc/99/47/63/894994763.db2.gz SDFWNDIXUAJJJO-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266545960 895300871 /nfs/dbraw/zinc/30/08/71/895300871.db2.gz RWTFEWLPCCOBPF-UONOGXRCSA-N 2 0 267.417 1.197 10 30 CDEERP C#CC[N@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001266769456 896010487 /nfs/dbraw/zinc/01/04/87/896010487.db2.gz AFRHYUNVSPQQPR-MRXNPFEDSA-N 2 0 291.439 1.324 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001279587910 896946422 /nfs/dbraw/zinc/94/64/22/896946422.db2.gz OTSSJFOPXBPRRI-HZPDHXFCSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C[C@@H](C)CC)CC1 ZINC001480951321 898110871 /nfs/dbraw/zinc/11/08/71/898110871.db2.gz XARQGDAHNMGVSB-HNNXBMFYSA-N 2 0 293.455 1.426 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267580414 898515903 /nfs/dbraw/zinc/51/59/03/898515903.db2.gz WMORZCVUJWAMFP-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267589577 898595955 /nfs/dbraw/zinc/59/59/55/898595955.db2.gz KTZCOUFZHLWSCO-HOTGVXAUSA-N 2 0 293.455 1.685 10 30 CDEERP C#CCC[NH+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001481043929 898675586 /nfs/dbraw/zinc/67/55/86/898675586.db2.gz HAHLFQRMCBABMN-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001267810564 899786631 /nfs/dbraw/zinc/78/66/31/899786631.db2.gz JQFZHYSUIHAZDZ-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCC[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001267865846 899905065 /nfs/dbraw/zinc/90/50/65/899905065.db2.gz ZTEQALLOWBIAJP-MRXNPFEDSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001268041409 900766956 /nfs/dbraw/zinc/76/69/56/900766956.db2.gz WCOSZDHPEQYXCK-UHFFFAOYSA-N 2 0 289.423 1.124 10 30 CDEERP C#CCC[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001481461401 900767282 /nfs/dbraw/zinc/76/72/82/900767282.db2.gz BYWRTVPBPJZHRF-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481495475 900922919 /nfs/dbraw/zinc/92/29/19/900922919.db2.gz AGCUVZIRUFHRNA-HNNXBMFYSA-N 2 0 293.455 1.685 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001268215177 901586603 /nfs/dbraw/zinc/58/66/03/901586603.db2.gz CBMKOFHRILCDFJ-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001481811614 902171780 /nfs/dbraw/zinc/17/17/80/902171780.db2.gz BVZKAIDZTQKYCZ-QLFBSQMISA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CCCC)CC1 ZINC001268499656 902408282 /nfs/dbraw/zinc/40/82/82/902408282.db2.gz OBDZDWAOMUMAQZ-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001269350475 903725163 /nfs/dbraw/zinc/72/51/63/903725163.db2.gz IZEVQJXSKZJQSR-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001269413449 903790912 /nfs/dbraw/zinc/79/09/12/903790912.db2.gz VAAUVQCRBGCTNY-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001270193779 904430523 /nfs/dbraw/zinc/43/05/23/904430523.db2.gz MIOXBXZDRNVAAT-KRWDZBQOSA-N 2 0 299.418 1.576 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001270785686 905039166 /nfs/dbraw/zinc/03/91/66/905039166.db2.gz PQXHMRUGZLPZGB-UHFFFAOYSA-N 2 0 253.390 1.143 10 30 CDEERP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001482499406 906675226 /nfs/dbraw/zinc/67/52/26/906675226.db2.gz QAXRBZVGTQGLSG-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001483549549 911235715 /nfs/dbraw/zinc/23/57/15/911235715.db2.gz ITCHXDWOUBFQSO-KGLIPLIRSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001484466352 915792382 /nfs/dbraw/zinc/79/23/82/915792382.db2.gz XVHUFDLTKIRPQB-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303889392 935046866 /nfs/dbraw/zinc/04/68/66/935046866.db2.gz LVEZLYJHYTYJSY-ZIAGYGMSSA-N 3 0 283.464 1.105 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001485092586 916505531 /nfs/dbraw/zinc/50/55/31/916505531.db2.gz RMPFTEAWSRVHKI-BLYZHGLHSA-N 2 0 299.846 1.564 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001485232107 916686508 /nfs/dbraw/zinc/68/65/08/916686508.db2.gz OSKIJUVYSGAVSQ-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001485515953 917054996 /nfs/dbraw/zinc/05/49/96/917054996.db2.gz HCYHDXBMVAEOBL-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001485582230 917107848 /nfs/dbraw/zinc/10/78/48/917107848.db2.gz NBFWKZQBQKMGLN-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390718814 919319865 /nfs/dbraw/zinc/31/98/65/919319865.db2.gz KYMAERBFIRRIDX-VXGBXAGGSA-N 2 0 273.808 1.175 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001486183742 920788125 /nfs/dbraw/zinc/78/81/25/920788125.db2.gz LNWZONPKQNMAPY-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494154938 921009486 /nfs/dbraw/zinc/00/94/86/921009486.db2.gz AAPOIFZRZUJODH-OAHLLOKOSA-N 2 0 279.428 1.132 10 30 CDEERP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001491119192 936861295 /nfs/dbraw/zinc/86/12/95/936861295.db2.gz CAJINWZOOKFVLQ-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494869232 925958984 /nfs/dbraw/zinc/95/89/84/925958984.db2.gz SIOHZGNELZNFJN-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001488741688 926692121 /nfs/dbraw/zinc/69/21/21/926692121.db2.gz PPWWQNZMHHMBOE-GASCZTMLSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001488828669 926711877 /nfs/dbraw/zinc/71/18/77/926711877.db2.gz NFNMUMLVISTGIO-KLHDSHLOSA-N 2 0 293.455 1.777 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001568464448 1169300938 /nfs/dbraw/zinc/30/09/38/1169300938.db2.gz WKTVNDVAZPXHAX-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001274222233 931242727 /nfs/dbraw/zinc/24/27/27/931242727.db2.gz XSSJKIZOAGLFDH-CABCVRRESA-N 2 0 291.439 1.627 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001274392816 931496662 /nfs/dbraw/zinc/49/66/62/931496662.db2.gz AHIUAQURPMGPHZ-OAHLLOKOSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275828131 932073040 /nfs/dbraw/zinc/07/30/40/932073040.db2.gz SYAGCGJYMVCMNU-OAHLLOKOSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001276147783 932567183 /nfs/dbraw/zinc/56/71/83/932567183.db2.gz TWMVBXLARSXUSX-JKSUJKDBSA-N 2 0 295.471 1.669 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001490857688 934570583 /nfs/dbraw/zinc/57/05/83/934570583.db2.gz UUIGPLYQRDWOCR-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001276910241 941690529 /nfs/dbraw/zinc/69/05/29/941690529.db2.gz XPKMNHLRUUMPOF-HRCADAONSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001276970059 941750973 /nfs/dbraw/zinc/75/09/73/941750973.db2.gz LQZKOIHUPIUDFS-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001277201034 942168017 /nfs/dbraw/zinc/16/80/17/942168017.db2.gz OIDNRAIVNGNFJG-HZPDHXFCSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001277317318 942344552 /nfs/dbraw/zinc/34/45/52/942344552.db2.gz YFZOMBAYQWMKAZ-MQVJKMGUSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001281047159 942531092 /nfs/dbraw/zinc/53/10/92/942531092.db2.gz SOAYUEWMPDLLBL-OAHLLOKOSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001281101423 942535879 /nfs/dbraw/zinc/53/58/79/942535879.db2.gz TXSCKOCDJHZKPB-QGZVFWFLSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001281967728 942638565 /nfs/dbraw/zinc/63/85/65/942638565.db2.gz IVDNZAQWLSHZGJ-CQSZACIVSA-N 2 0 267.417 1.435 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001282314323 942688838 /nfs/dbraw/zinc/68/88/38/942688838.db2.gz UNPQXURZZTUVFV-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001282607964 942732203 /nfs/dbraw/zinc/73/22/03/942732203.db2.gz UXSZWAYVDOLIKY-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001283556032 942932670 /nfs/dbraw/zinc/93/26/70/942932670.db2.gz YGSSLHCAZIRBLP-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001284248136 943131055 /nfs/dbraw/zinc/13/10/55/943131055.db2.gz SXPRBGQEDFMYRX-KBPBESRZSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1(C)C ZINC001284326491 943150016 /nfs/dbraw/zinc/15/00/16/943150016.db2.gz XQLHXUUOHXAUEA-CABCVRRESA-N 2 0 293.455 1.567 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001284617877 943227413 /nfs/dbraw/zinc/22/74/13/943227413.db2.gz IBOOAAYKHDRVNG-ZDUSSCGKSA-N 2 0 267.417 1.082 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001263868594 944013071 /nfs/dbraw/zinc/01/30/71/944013071.db2.gz MWNAUJMLXNZJGA-YHUYYLMFSA-N 2 0 293.455 1.920 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001277924199 944061585 /nfs/dbraw/zinc/06/15/85/944061585.db2.gz BTQDXYNYTANUGW-JYJNAYRXSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001264161231 944090978 /nfs/dbraw/zinc/09/09/78/944090978.db2.gz GPQZEYFYPUIXGS-RDBSUJKOSA-N 2 0 267.417 1.482 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001265072880 944220085 /nfs/dbraw/zinc/22/00/85/944220085.db2.gz INXJQGGUSURIEJ-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001265395080 944373218 /nfs/dbraw/zinc/37/32/18/944373218.db2.gz ONUFGGUBIIOQJY-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001265478521 944403509 /nfs/dbraw/zinc/40/35/09/944403509.db2.gz HADSJSOWFBOEGF-RBSFLKMASA-N 2 0 277.412 1.141 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001265589565 944437799 /nfs/dbraw/zinc/43/77/99/944437799.db2.gz VJLBXKIUORFPJO-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265594741 944440665 /nfs/dbraw/zinc/44/06/65/944440665.db2.gz JRIWYJVWUZGRCP-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001265910599 944569756 /nfs/dbraw/zinc/56/97/56/944569756.db2.gz GSQYTUDKPAWGBP-UONOGXRCSA-N 2 0 285.407 1.433 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001265932374 944579985 /nfs/dbraw/zinc/57/99/85/944579985.db2.gz LVPRVLIJPKIUHH-JKSUJKDBSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266144442 944713041 /nfs/dbraw/zinc/71/30/41/944713041.db2.gz RNBGTBAIDYKCEP-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001266169623 944730364 /nfs/dbraw/zinc/73/03/64/944730364.db2.gz DGGQIXSAXHRGLK-KKUMJFAQSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266170179 944730427 /nfs/dbraw/zinc/73/04/27/944730427.db2.gz OFFUKIODBOCEER-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001479735827 971390436 /nfs/dbraw/zinc/39/04/36/971390436.db2.gz GSNDRUAZQLEJGF-LSDHHAIUSA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001279012916 948586805 /nfs/dbraw/zinc/58/68/05/948586805.db2.gz STBDQKKSMHKUQH-CABCVRRESA-N 2 0 291.439 1.627 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001279017159 948608197 /nfs/dbraw/zinc/60/81/97/948608197.db2.gz IWGGPMALBOTNEE-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001278488623 948669854 /nfs/dbraw/zinc/66/98/54/948669854.db2.gz WYRJIHKAIFGCSW-BZUAXINKSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001480140990 971598761 /nfs/dbraw/zinc/59/87/61/971598761.db2.gz NGRGVLHNNJHRLT-IHRRRGAJSA-N 2 0 285.407 1.479 10 30 CDEERP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480187791 971616985 /nfs/dbraw/zinc/61/69/85/971616985.db2.gz DRMYNYZSDSSRNN-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001480224001 971636158 /nfs/dbraw/zinc/63/61/58/971636158.db2.gz MNKWSVHNJKQNAA-CALCHBBNSA-N 2 0 299.418 1.031 10 30 CDEERP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001480711387 971846485 /nfs/dbraw/zinc/84/64/85/971846485.db2.gz ZGNXKNBLZXGXPN-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001480763223 971870397 /nfs/dbraw/zinc/87/03/97/971870397.db2.gz ATZZWLULXSHLIL-HUUCEWRRSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001324674886 953510445 /nfs/dbraw/zinc/51/04/45/953510445.db2.gz RUNCYNQDGDJPNI-HNNXBMFYSA-N 2 0 265.401 1.239 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001493112392 971951917 /nfs/dbraw/zinc/95/19/17/971951917.db2.gz XJSIKBICIGJFPW-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001569171447 1169702329 /nfs/dbraw/zinc/70/23/29/1169702329.db2.gz WKFORLHXGVLTNV-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001326437554 954382272 /nfs/dbraw/zinc/38/22/72/954382272.db2.gz MTSAKLFGXFIINQ-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001297373266 955016820 /nfs/dbraw/zinc/01/68/20/955016820.db2.gz PWZWTSHDLOBRQL-CQSZACIVSA-N 2 0 269.433 1.539 10 30 CDEERP C#CC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001328035611 955167169 /nfs/dbraw/zinc/16/71/69/955167169.db2.gz RTHBYCMJEVHIID-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001328362468 955274360 /nfs/dbraw/zinc/27/43/60/955274360.db2.gz HJIWCOUCBXKSPQ-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001493667649 972096999 /nfs/dbraw/zinc/09/69/99/972096999.db2.gz UOTMEHQHOJGQJU-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001492128656 955640679 /nfs/dbraw/zinc/64/06/79/955640679.db2.gz AEJZBEWXZHKQBQ-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001493961230 972145776 /nfs/dbraw/zinc/14/57/76/972145776.db2.gz NTQVRKFNQGPMEP-LSDHHAIUSA-N 2 0 279.428 1.580 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001422662123 956239422 /nfs/dbraw/zinc/23/94/22/956239422.db2.gz QAYJUKVGEZEAJV-QWHCGFSZSA-N 2 0 287.835 1.708 10 30 CDEERP CC#CC[NH+]1CC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001330084081 956267033 /nfs/dbraw/zinc/26/70/33/956267033.db2.gz COVRPWBIFOVTED-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001494136698 972183554 /nfs/dbraw/zinc/18/35/54/972183554.db2.gz GJVHUXFYWXNPSM-HNNXBMFYSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001330613229 956516511 /nfs/dbraw/zinc/51/65/11/956516511.db2.gz LCJSCXXRCHKLLX-YHUYYLMFSA-N 2 0 291.439 1.674 10 30 CDEERP C=CCC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317510659 956761962 /nfs/dbraw/zinc/76/19/62/956761962.db2.gz RXEPYWWWCGHNJO-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001331440281 957059513 /nfs/dbraw/zinc/05/95/13/957059513.db2.gz RRWKZHGJMBIPHB-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001316882445 957088176 /nfs/dbraw/zinc/08/81/76/957088176.db2.gz YTLCLIFOPMCYMH-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001331648806 957186575 /nfs/dbraw/zinc/18/65/75/957186575.db2.gz QPDWHHTZHHQZOW-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317061780 957238216 /nfs/dbraw/zinc/23/82/16/957238216.db2.gz IXLPHYSFGRHXDL-SOUVJXGZSA-N 2 0 279.428 1.626 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001317194312 957335430 /nfs/dbraw/zinc/33/54/30/957335430.db2.gz XGNCIGCIXFXUHJ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317478670 957501443 /nfs/dbraw/zinc/50/14/43/957501443.db2.gz SNPOOPZNUZRJGO-HNNXBMFYSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001318122627 957930553 /nfs/dbraw/zinc/93/05/53/957930553.db2.gz RJJHRITUOGHTCF-MRXNPFEDSA-N 2 0 291.439 1.342 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001319698161 958691337 /nfs/dbraw/zinc/69/13/37/958691337.db2.gz XCBBCBIPYHFMAM-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001494999111 972368584 /nfs/dbraw/zinc/36/85/84/972368584.db2.gz GQRBGTNRVGDRPI-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)CC[NH+]1CCCCC1)C(C)C ZINC001319967011 958825120 /nfs/dbraw/zinc/82/51/20/958825120.db2.gz BOEWWYCTCHPPDS-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001320068660 958917747 /nfs/dbraw/zinc/91/77/47/958917747.db2.gz LCYFQIXTEMBXQA-LSDHHAIUSA-N 2 0 279.428 1.130 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001320844003 959419027 /nfs/dbraw/zinc/41/90/27/959419027.db2.gz MNCIYXSAKUSVFQ-CQSZACIVSA-N 2 0 267.417 1.034 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001321066224 959570266 /nfs/dbraw/zinc/57/02/66/959570266.db2.gz ZBQBZEAUCLOMGI-BQYQJAHWSA-N 2 0 291.439 1.536 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001321097538 959588761 /nfs/dbraw/zinc/58/87/61/959588761.db2.gz OZKGLXJPSMPZBU-YVACAVLKSA-N 2 0 277.412 1.146 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001323524362 960790531 /nfs/dbraw/zinc/79/05/31/960790531.db2.gz DGAREQMLCVOQSD-STQMWFEESA-N 2 0 265.401 1.141 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001324249389 961263058 /nfs/dbraw/zinc/26/30/58/961263058.db2.gz KCSAJJFJQUNYRQ-KRWDZBQOSA-N 2 0 299.418 1.576 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001420014177 962343076 /nfs/dbraw/zinc/34/30/76/962343076.db2.gz LMQHQPHKQDOICS-CYBMUJFWSA-N 2 0 287.835 1.517 10 30 CDEERP C#CCN(C(=O)[C@@H](C)CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC001558506908 965303984 /nfs/dbraw/zinc/30/39/84/965303984.db2.gz JZURLQSLTUAABD-AWEZNQCLSA-N 2 0 279.428 1.130 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001497816543 973533685 /nfs/dbraw/zinc/53/36/85/973533685.db2.gz SWDRDXYQXVQZJS-CABCVRRESA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001497927479 973579658 /nfs/dbraw/zinc/57/96/58/973579658.db2.gz VSHPQPLIPCHOBL-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001499032558 974166459 /nfs/dbraw/zinc/16/64/59/974166459.db2.gz IGHWLKGSBXQQPZ-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001500356030 974426545 /nfs/dbraw/zinc/42/65/45/974426545.db2.gz JFQUYEIMJZYHIK-ZBFHGGJFSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001502360720 974724977 /nfs/dbraw/zinc/72/49/77/974724977.db2.gz XMRVDVFUPLYOOJ-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001505536010 974902430 /nfs/dbraw/zinc/90/24/30/974902430.db2.gz IUELYOGPKXLXBA-UHFFFAOYSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001506027197 975091871 /nfs/dbraw/zinc/09/18/71/975091871.db2.gz HBMSIKHDPGELDB-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001507121819 975345123 /nfs/dbraw/zinc/34/51/23/975345123.db2.gz JNLHENHPTKJCPM-HUUCEWRRSA-N 2 0 283.460 1.975 10 30 CDEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001508064915 975596729 /nfs/dbraw/zinc/59/67/29/975596729.db2.gz NUHBOZROEXHJCG-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001691752170 1174000258 /nfs/dbraw/zinc/00/02/58/1174000258.db2.gz BXRRIUVTZYWVJV-YHUYYLMFSA-N 2 0 293.455 1.777 10 30 CDEERP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001571048638 1170331831 /nfs/dbraw/zinc/33/18/31/1170331831.db2.gz HNLCHKPTABXSHF-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001571512366 1170458671 /nfs/dbraw/zinc/45/86/71/1170458671.db2.gz FOEHHVIBYDPXDP-HRCADAONSA-N 2 0 293.455 1.729 10 30 CDEERP C#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC(C)(C)C1 ZINC001657105741 1171930969 /nfs/dbraw/zinc/93/09/69/1171930969.db2.gz BLRAEDNBHPWZFV-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440967 342907391 /nfs/dbraw/zinc/90/73/91/342907391.db2.gz KFKANCJTINUMHH-KGLIPLIRSA-N 2 0 282.432 1.490 10 30 CDEERP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594450285 342909913 /nfs/dbraw/zinc/90/99/13/342909913.db2.gz WRNJUESVKRSIKA-AWEZNQCLSA-N 2 0 274.368 1.804 10 30 CDEERP C[NH+](C)C1(CNC(=O)[C@H]([NH3+])CCCCC#N)CCCCC1 ZINC000594426296 342904412 /nfs/dbraw/zinc/90/44/12/342904412.db2.gz QLDSHWOYTODOCO-CQSZACIVSA-N 2 0 294.443 1.778 10 30 CDEERP N#Cc1ccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595864640 343175426 /nfs/dbraw/zinc/17/54/26/343175426.db2.gz VAEIJOUGBPPVIQ-KRWDZBQOSA-N 2 0 285.391 1.589 10 30 CDEERP N#CC1(c2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000597025949 343437451 /nfs/dbraw/zinc/43/74/51/343437451.db2.gz HBSFUMJTXVYNCH-GJZGRUSLSA-N 2 0 267.376 1.893 10 30 CDEERP N#C[C@@H]1CCC[C@@H]1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601964628 344297678 /nfs/dbraw/zinc/29/76/78/344297678.db2.gz JQJXBNNGNQLUOO-BZSNNMDCSA-N 2 0 299.418 1.905 10 30 CDEERP C=CCC1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCCC1 ZINC000644663320 366330050 /nfs/dbraw/zinc/33/00/50/366330050.db2.gz SRNWBNRTDQUWSI-INIZCTEOSA-N 2 0 295.471 1.321 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)CCc1c[nH]cn1 ZINC001660536933 1172231950 /nfs/dbraw/zinc/23/19/50/1172231950.db2.gz OBAWEGLTCYYXDT-UHFFFAOYSA-N 2 0 276.384 1.194 10 30 CDEERP C#CCC[NH+]1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001660775770 1172274888 /nfs/dbraw/zinc/27/48/88/1172274888.db2.gz GCRRREIXMDRLKR-UHFFFAOYSA-N 2 0 291.439 1.417 10 30 CDEERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000423120427 392958519 /nfs/dbraw/zinc/95/85/19/392958519.db2.gz GMWGHABPLYQIAJ-AWEZNQCLSA-N 2 0 277.368 1.410 10 30 CDEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001664462864 1172857574 /nfs/dbraw/zinc/85/75/74/1172857574.db2.gz MNBULBURIGOHNN-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H]2CCCC[N@H+]2CC)CCC[NH2+]1 ZINC000662717098 413372065 /nfs/dbraw/zinc/37/20/65/413372065.db2.gz XEEAFSCDABFTCW-HOCLYGCPSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[C@]1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC[NH2+]1 ZINC000662741728 413417908 /nfs/dbraw/zinc/41/79/08/413417908.db2.gz HFDKYSUKYBXPNV-UCMJJCQDSA-N 2 0 291.439 1.816 10 30 CDEERP C=CC[C@]1(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CCC[NH2+]1 ZINC000662764869 413458761 /nfs/dbraw/zinc/45/87/61/413458761.db2.gz SSRMQFUGRYGXLE-MRXNPFEDSA-N 2 0 286.379 1.364 10 30 CDEERP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020365698 171164294 /nfs/dbraw/zinc/16/42/94/171164294.db2.gz FRFVPEKBGCSEBL-ZIAGYGMSSA-N 2 0 267.417 1.224 10 30 CDEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001665800119 1173063107 /nfs/dbraw/zinc/06/31/07/1173063107.db2.gz YXFVVJFBIMOKRD-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP N#Cc1ccc(OCC[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749974 174395194 /nfs/dbraw/zinc/39/51/94/174395194.db2.gz XDPKOXYJCTUOSR-GOOCMWNKSA-N 2 0 271.364 1.891 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001666673537 1173169047 /nfs/dbraw/zinc/16/90/47/1173169047.db2.gz QASMPZCTZPADAP-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@]2([NH+](C)C)CCSC2)CCC[NH2+]1 ZINC000662683131 424313158 /nfs/dbraw/zinc/31/31/58/424313158.db2.gz WOFRDHAUDWHKCP-HUUCEWRRSA-N 2 0 297.468 1.238 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001669595673 1173573955 /nfs/dbraw/zinc/57/39/55/1173573955.db2.gz OEHVFGXIBPKJIP-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP N#C[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000185781278 329331895 /nfs/dbraw/zinc/33/18/95/329331895.db2.gz CGZODFJDADUJGM-HUUCEWRRSA-N 2 0 265.401 1.771 10 30 CDEERP C=CCOCC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001731712565 1159329378 /nfs/dbraw/zinc/32/93/78/1159329378.db2.gz TZPFJVUSLHNZJH-OAHLLOKOSA-N 2 0 297.443 1.064 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699423451 1176388032 /nfs/dbraw/zinc/38/80/32/1176388032.db2.gz RSDHVRMQDMUJIN-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001699526851 1159942678 /nfs/dbraw/zinc/94/26/78/1159942678.db2.gz BOICPGJXBLZUNG-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001482555866 1160390345 /nfs/dbraw/zinc/39/03/45/1160390345.db2.gz CXOAMKOULXLXLN-HZPDHXFCSA-N 2 0 293.455 1.613 10 30 CDEERP C=C(C)[C@@H](CO)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000678049093 482909083 /nfs/dbraw/zinc/90/90/83/482909083.db2.gz DHERMFZHBSYWAY-QGZVFWFLSA-N 2 0 295.471 1.414 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001717450911 1180676904 /nfs/dbraw/zinc/67/69/04/1180676904.db2.gz CHEJYABTKFSSHR-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001734001990 1183609651 /nfs/dbraw/zinc/60/96/51/1183609651.db2.gz PFDPJJUIUHTUBO-OLZOCXBDSA-N 2 0 265.401 1.141 10 30 CDEERP CCN[C@@](C)(C#N)C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068612673 520130385 /nfs/dbraw/zinc/13/03/85/520130385.db2.gz PJVOFFRQDHQPQZ-GOEBONIOSA-N 2 0 280.460 1.930 10 30 CDEERP C[N@H+](CCOc1ccc(C#CC[NH3+])cc1)[C@H]1CCSC1 ZINC000049608994 522904495 /nfs/dbraw/zinc/90/44/95/522904495.db2.gz RODVNKNPDSWJFU-HNNXBMFYSA-N 2 0 290.432 1.813 10 30 CDEERP C[N@H+](Cc1ccccc1C#CC[NH3+])C1CCOCC1 ZINC000049609336 523357153 /nfs/dbraw/zinc/35/71/53/523357153.db2.gz XNRFYAZMNBKHOP-UHFFFAOYSA-N 2 0 258.365 1.608 10 30 CDEERP [NH3+]CC#Cc1ccc(C[NH+]2CCC(O)CC2)c(F)c1 ZINC000049608664 527148906 /nfs/dbraw/zinc/14/89/06/527148906.db2.gz STSFRSHSVDMEOH-UHFFFAOYSA-N 2 0 262.328 1.093 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCO)c(F)c1 ZINC000049608680 527149183 /nfs/dbraw/zinc/14/91/83/527149183.db2.gz NDGMLHRWPWPNKR-MRXNPFEDSA-N 2 0 290.382 1.873 10 30 CDEERP Nc1cc(N)[nH+]c(SCc2cccc(C#CC[NH3+])c2)n1 ZINC000049612903 527152892 /nfs/dbraw/zinc/15/28/92/527152892.db2.gz GEURNFBOTHYJJD-UHFFFAOYSA-N 2 0 285.376 1.244 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941221623 613522261 /nfs/dbraw/zinc/52/22/61/613522261.db2.gz YXJGOJLJZIENRC-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000900307457 622877165 /nfs/dbraw/zinc/87/71/65/622877165.db2.gz JGMSKBQTARAHQA-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000900539785 623218353 /nfs/dbraw/zinc/21/83/53/623218353.db2.gz GRAGNIORLJDJSK-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=CCN1CC[C@H]([NH+]2CCC(C(C)(C)C[NH3+])CC2)C1=O ZINC000903791093 626088914 /nfs/dbraw/zinc/08/89/14/626088914.db2.gz MGXTZXZKOFKPPU-AWEZNQCLSA-N 2 0 279.428 1.470 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000913815904 630794916 /nfs/dbraw/zinc/79/49/16/630794916.db2.gz UIESULRFFYKNDU-KGLIPLIRSA-N 2 0 265.401 1.189 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691174844 1158944257 /nfs/dbraw/zinc/94/42/57/1158944257.db2.gz JEXCTRCERKGVDO-WKILWMFISA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)C[NH+](C)C1CCC1 ZINC001691183453 1158949342 /nfs/dbraw/zinc/94/93/42/1158949342.db2.gz BTFGXVOMFMMTFR-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001691220735 1158962811 /nfs/dbraw/zinc/96/28/11/1158962811.db2.gz FIRFLQLWJFYQMT-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001266912109 1158982308 /nfs/dbraw/zinc/98/23/08/1158982308.db2.gz UCZBEEJHDVTXFA-YMAMQOFZSA-N 2 0 279.428 1.367 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001691410650 1159061592 /nfs/dbraw/zinc/06/15/92/1159061592.db2.gz RLFLIRCFWGXQPM-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001690356241 1175447179 /nfs/dbraw/zinc/44/71/79/1175447179.db2.gz AXIDLCUWIOIXSM-QLFBSQMISA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001772520268 1158570525 /nfs/dbraw/zinc/57/05/25/1158570525.db2.gz QVPMEJHWWDOKNN-JCNLHEQBSA-N 2 0 299.418 1.479 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001724742413 1158624866 /nfs/dbraw/zinc/62/48/66/1158624866.db2.gz AACAQRHXNCKMBL-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001725509658 1159247692 /nfs/dbraw/zinc/24/76/92/1159247692.db2.gz NNMPPJMMEUAFPW-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001567146818 1168596413 /nfs/dbraw/zinc/59/64/13/1168596413.db2.gz JNVFTABUQPNHCH-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001567227904 1168630608 /nfs/dbraw/zinc/63/06/08/1168630608.db2.gz YUMMFEQOGSXREN-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)CCC)c1ccccc1 ZINC001567665834 1168909494 /nfs/dbraw/zinc/90/94/94/1168909494.db2.gz MGCRADZBVVUZSQ-MRXNPFEDSA-N 2 0 287.407 1.409 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)CCC)c1ccccc1 ZINC001567665833 1168910567 /nfs/dbraw/zinc/91/05/67/1168910567.db2.gz MGCRADZBVVUZSQ-INIZCTEOSA-N 2 0 287.407 1.409 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001570609135 1170210774 /nfs/dbraw/zinc/21/07/74/1170210774.db2.gz XSRVMKNKRPIVQN-RYUDHWBXSA-N 2 0 253.390 1.140 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001570804742 1170282099 /nfs/dbraw/zinc/28/20/99/1170282099.db2.gz URQNQVCWGZMHGQ-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001571180325 1170342706 /nfs/dbraw/zinc/34/27/06/1170342706.db2.gz BENDQGAQBYXGNW-MGPQQGTHSA-N 2 0 267.417 1.243 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001571567257 1170479309 /nfs/dbraw/zinc/47/93/09/1170479309.db2.gz KFKBXXDIRKTLOO-GJZGRUSLSA-N 2 0 293.455 1.423 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001650426076 1171058834 /nfs/dbraw/zinc/05/88/34/1171058834.db2.gz ZPTKEDFORVUYOI-NSHDSACASA-N 2 0 275.824 1.503 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001663014060 1172628530 /nfs/dbraw/zinc/62/85/30/1172628530.db2.gz LEGGHHSRFLNUCF-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001583315563 1172753413 /nfs/dbraw/zinc/75/34/13/1172753413.db2.gz KNLPOQAQZWKESG-JSGCOSHPSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001664722246 1172898840 /nfs/dbraw/zinc/89/88/40/1172898840.db2.gz RLUIFLSDYGQLSW-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001664754816 1172904265 /nfs/dbraw/zinc/90/42/65/1172904265.db2.gz IRWSRTXCYOKOJF-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001664811899 1172914713 /nfs/dbraw/zinc/91/47/13/1172914713.db2.gz KEPIANLJRZVAAC-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+]C/C=C/CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001669092027 1173504243 /nfs/dbraw/zinc/50/42/43/1173504243.db2.gz SVDCKBJNYSYEOX-VOTSOKGWSA-N 2 0 299.418 1.647 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001669955823 1173638131 /nfs/dbraw/zinc/63/81/31/1173638131.db2.gz KTIMYKNMMXUOLB-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001671900593 1173721024 /nfs/dbraw/zinc/72/10/24/1173721024.db2.gz CYKFJNWHMSARGT-INIZCTEOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001673131303 1173826765 /nfs/dbraw/zinc/82/67/65/1173826765.db2.gz DQAKCRSGLRTFJA-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001688912787 1175065521 /nfs/dbraw/zinc/06/55/21/1175065521.db2.gz JEXCTRCERKGVDO-IYBDPMFKSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001690183504 1175397037 /nfs/dbraw/zinc/39/70/37/1175397037.db2.gz ANVYOBHQNXWYLL-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001690226475 1175408885 /nfs/dbraw/zinc/40/88/85/1175408885.db2.gz YXWHGVLVIVZQQP-HZSPNIEDSA-N 2 0 265.401 1.093 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001690596378 1175516990 /nfs/dbraw/zinc/51/69/90/1175516990.db2.gz QZWLSUNWKHJXFJ-LLVKDONJSA-N 2 0 272.352 1.537 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001690843017 1175588683 /nfs/dbraw/zinc/58/86/83/1175588683.db2.gz KDDDXVMZZIJMRO-SOUVJXGZSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001692312166 1175734030 /nfs/dbraw/zinc/73/40/30/1175734030.db2.gz HQVOTQOACZSBMX-UHFFFAOYSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001698564557 1175847516 /nfs/dbraw/zinc/84/75/16/1175847516.db2.gz WKAVNMCJGVFGMC-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001699023943 1176047313 /nfs/dbraw/zinc/04/73/13/1176047313.db2.gz WGWYHUBDHMTGQK-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001699335846 1176260173 /nfs/dbraw/zinc/26/01/73/1176260173.db2.gz MADMQEJDTAEAJT-MUHKLVGJSA-N 2 0 279.428 1.555 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001699408681 1176374064 /nfs/dbraw/zinc/37/40/64/1176374064.db2.gz ISIWGDFSTAAQBT-AWEZNQCLSA-N 2 0 297.443 1.015 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001699837529 1176650748 /nfs/dbraw/zinc/65/07/48/1176650748.db2.gz PZCKDLTXCPBJSR-WBVHZDCISA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001699851430 1176654885 /nfs/dbraw/zinc/65/48/85/1176654885.db2.gz HZCIPTPHKNSHOI-KRWDZBQOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001700714866 1177088292 /nfs/dbraw/zinc/08/82/92/1177088292.db2.gz VFAWEZIGNMGZSW-UONOGXRCSA-N 2 0 267.417 1.245 10 30 CDEERP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001707055002 1177928587 /nfs/dbraw/zinc/92/85/87/1177928587.db2.gz PSDYVZVEFFIVMV-HNNXBMFYSA-N 2 0 293.455 1.520 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001707080929 1177944563 /nfs/dbraw/zinc/94/45/63/1177944563.db2.gz AHAGRPVGCKRZFV-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001707387709 1178010236 /nfs/dbraw/zinc/01/02/36/1178010236.db2.gz PAMQCONIXJODBD-MRXNPFEDSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)c1cccc2nccn21 ZINC001707457541 1178057744 /nfs/dbraw/zinc/05/77/44/1178057744.db2.gz CSJQLLWLDLIBMO-UHFFFAOYSA-N 2 0 298.390 1.799 10 30 CDEERP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001713096941 1178364734 /nfs/dbraw/zinc/36/47/34/1178364734.db2.gz JMMVLHWLDKRMME-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001713110865 1178373437 /nfs/dbraw/zinc/37/34/37/1178373437.db2.gz CYHNMUQANZDZRA-OAHLLOKOSA-N 2 0 291.439 1.533 10 30 CDEERP C=C(C)C[NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001713288846 1178467872 /nfs/dbraw/zinc/46/78/72/1178467872.db2.gz IYCKUMAKLSFQFK-UHFFFAOYSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001713423236 1178553230 /nfs/dbraw/zinc/55/32/30/1178553230.db2.gz MGQQEYDZFYIFJB-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001713641778 1178693706 /nfs/dbraw/zinc/69/37/06/1178693706.db2.gz WHOUZCUKUFDTGP-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713739567 1178730595 /nfs/dbraw/zinc/73/05/95/1178730595.db2.gz FSNOMRMXCUBVPR-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[NH+]1CC(CNC(=O)Cn2ccnc2C(C)C)C1 ZINC001713919678 1178845609 /nfs/dbraw/zinc/84/56/09/1178845609.db2.gz WGQXCEDCSLPUDZ-UHFFFAOYSA-N 2 0 290.411 1.631 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001714073670 1178960087 /nfs/dbraw/zinc/96/00/87/1178960087.db2.gz DRSNGUCKYXSVMO-QLFBSQMISA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001714250307 1179045904 /nfs/dbraw/zinc/04/59/04/1179045904.db2.gz CNTZSCYSAUOXQY-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001714623147 1179275108 /nfs/dbraw/zinc/27/51/08/1179275108.db2.gz VXOAIHDGIYPJSD-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001714804907 1179406060 /nfs/dbraw/zinc/40/60/60/1179406060.db2.gz LMJOQZANYCEXLI-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001714844456 1179418834 /nfs/dbraw/zinc/41/88/34/1179418834.db2.gz ZOGCTHJQSYGAAK-KRWDZBQOSA-N 2 0 299.418 1.553 10 30 CDEERP C=CCC[C@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCC ZINC001714995316 1179497241 /nfs/dbraw/zinc/49/72/41/1179497241.db2.gz PRWGJDJYCGOXHV-JYJNAYRXSA-N 2 0 293.455 1.968 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001715314157 1179620073 /nfs/dbraw/zinc/62/00/73/1179620073.db2.gz KQYSEFLBFMHIBX-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001715337389 1179631346 /nfs/dbraw/zinc/63/13/46/1179631346.db2.gz IAPQABNDMVRYPK-KBPBESRZSA-N 2 0 285.407 1.126 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001715500401 1179684975 /nfs/dbraw/zinc/68/49/75/1179684975.db2.gz FXVXSDMVDARNOM-HNNXBMFYSA-N 2 0 295.471 1.718 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715695909 1179767491 /nfs/dbraw/zinc/76/74/91/1179767491.db2.gz JOAQTHJRRLDKLR-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001715709151 1179771513 /nfs/dbraw/zinc/77/15/13/1179771513.db2.gz UPJYLPXARVGFQE-CYBMUJFWSA-N 2 0 253.390 1.143 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001716357296 1180166830 /nfs/dbraw/zinc/16/68/30/1180166830.db2.gz LETTVVYFXUWEIM-PLNGDYQASA-N 2 0 279.428 1.556 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001716501286 1180256717 /nfs/dbraw/zinc/25/67/17/1180256717.db2.gz CLWXHAKEIRIMJP-CQSZACIVSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001716796304 1180418981 /nfs/dbraw/zinc/41/89/81/1180418981.db2.gz VVCYFVOFMQBXBF-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCC1 ZINC001716821176 1180424230 /nfs/dbraw/zinc/42/42/30/1180424230.db2.gz LWDMZZFRSSPKGR-OAHLLOKOSA-N 2 0 293.455 1.779 10 30 CDEERP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001717531249 1180725373 /nfs/dbraw/zinc/72/53/73/1180725373.db2.gz GMBRBTOPHDUPOS-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001717623845 1180762616 /nfs/dbraw/zinc/76/26/16/1180762616.db2.gz NUTNQDPYMHVMDV-KKUMJFAQSA-N 2 0 279.428 1.341 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001717758236 1180833792 /nfs/dbraw/zinc/83/37/92/1180833792.db2.gz WBOODEFXCWPKBO-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001724644734 1181715160 /nfs/dbraw/zinc/71/51/60/1181715160.db2.gz BMIWCLBEKQIZDN-HZPDHXFCSA-N 2 0 293.455 1.968 10 30 CDEERP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001724655832 1181716374 /nfs/dbraw/zinc/71/63/74/1181716374.db2.gz MTXZWNMETXOYFV-CABCVRRESA-N 2 0 277.412 1.027 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001724969383 1181811417 /nfs/dbraw/zinc/81/14/17/1181811417.db2.gz HRYMGBCRHAJBFR-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]CC1CC(NC(=O)CCCn2ccnc2)C1 ZINC001725077210 1181847502 /nfs/dbraw/zinc/84/75/02/1181847502.db2.gz BSLVKZLEPIOVJI-UHFFFAOYSA-N 2 0 276.384 1.334 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001725129328 1181876560 /nfs/dbraw/zinc/87/65/60/1181876560.db2.gz OSIPVEYFDRPFON-HZPDHXFCSA-N 2 0 293.455 1.759 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001725650720 1182087135 /nfs/dbraw/zinc/08/71/35/1182087135.db2.gz DCDHELRSOLDEHN-HZPDHXFCSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001731509757 1182427728 /nfs/dbraw/zinc/42/77/28/1182427728.db2.gz AXMRFRKXPBYABX-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001731835417 1182615502 /nfs/dbraw/zinc/61/55/02/1182615502.db2.gz VKPCRQRJMMAZPQ-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001732399319 1182945553 /nfs/dbraw/zinc/94/55/53/1182945553.db2.gz CHFUKZLADOXDGY-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001733245115 1183368201 /nfs/dbraw/zinc/36/82/01/1183368201.db2.gz HHTXFYAPSXGTRW-ZIAGYGMSSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]2C1 ZINC001733581871 1183470774 /nfs/dbraw/zinc/47/07/74/1183470774.db2.gz VKARQZHPJWYJFL-IYBDPMFKSA-N 2 0 293.455 1.685 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001733690246 1183497833 /nfs/dbraw/zinc/49/78/33/1183497833.db2.gz GVENFXVIUYGEEL-WKILWMFISA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCC1 ZINC001733725479 1183510065 /nfs/dbraw/zinc/51/00/65/1183510065.db2.gz KFLDBAIAUVCZIJ-UHFFFAOYSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH+]1CC([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001734129278 1183669282 /nfs/dbraw/zinc/66/92/82/1183669282.db2.gz BWLQPRCLBSXPFH-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001734147148 1183675685 /nfs/dbraw/zinc/67/56/85/1183675685.db2.gz ZOLSOTHAKXGDCI-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@H+]1CCCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001734196745 1183687167 /nfs/dbraw/zinc/68/71/67/1183687167.db2.gz DOAGNCHYPOSBRO-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001734243215 1183702138 /nfs/dbraw/zinc/70/21/38/1183702138.db2.gz WVLWWGMSMCLENA-CYBMUJFWSA-N 2 0 298.390 1.764 10 30 CDEERP C=CC[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001734585125 1183834346 /nfs/dbraw/zinc/83/43/46/1183834346.db2.gz YQVHTBBOWORVLJ-AWEZNQCLSA-N 2 0 293.455 1.873 10 30 CDEERP Cc1ccc(NC(=[NH2+])NCCCC[NH+]2CCOCC2)cc1 ZINC000303891215 1186581847 /nfs/dbraw/zinc/58/18/47/1186581847.db2.gz MWXUJKOMFNIJBS-UHFFFAOYSA-N 2 0 290.411 1.834 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000876840432 1165925028 /nfs/dbraw/zinc/92/50/28/1165925028.db2.gz SASKEUQXCPTOKH-BFHYXJOUSA-N 2 0 293.798 1.410 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000876941927 1165944736 /nfs/dbraw/zinc/94/47/36/1165944736.db2.gz NERZZMBCRRNTMJ-AKJDGMEZSA-N 2 0 271.792 1.186 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000876979554 1165952592 /nfs/dbraw/zinc/95/25/92/1165952592.db2.gz JYDZVTFDEZHTSR-KBPBESRZSA-N 2 0 299.846 1.695 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCC[NH2+]1 ZINC000877151838 1165984101 /nfs/dbraw/zinc/98/41/01/1165984101.db2.gz SZDGNAVIEXPESO-BBRMVZONSA-N 2 0 279.428 1.579 10 30 CDEERP C=CCC[C@H](O)C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125252 1166301587 /nfs/dbraw/zinc/30/15/87/1166301587.db2.gz VJFUGFIGNSKXRO-INIZCTEOSA-N 2 0 284.444 1.604 10 30 CDEERP CCC[NH+]1CCC(CNC(=[NH2+])N2CCCCC2)CC1 ZINC000303876765 796665901 /nfs/dbraw/zinc/66/59/01/796665901.db2.gz IJBUDENPUBAHDZ-UHFFFAOYSA-N 2 0 266.433 1.909 10 30 CDEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N(C)CCC1CCOCC1 ZINC000261936610 796833305 /nfs/dbraw/zinc/83/33/05/796833305.db2.gz COLWSKKOZHDOHB-HNNXBMFYSA-N 2 0 296.459 1.405 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000876850872 796875642 /nfs/dbraw/zinc/87/56/42/796875642.db2.gz DFMJELYDVIZUMS-YPMHNXCESA-N 2 0 271.792 1.058 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877151189 797861239 /nfs/dbraw/zinc/86/12/39/797861239.db2.gz HMMGFROILZMXNK-GHMZBOCLSA-N 2 0 273.808 1.351 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000876773027 798000766 /nfs/dbraw/zinc/00/07/66/798000766.db2.gz LWRNGBAKANXLKH-KGLIPLIRSA-N 2 0 299.846 1.791 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001568685410 1167539316 /nfs/dbraw/zinc/53/93/16/1167539316.db2.gz WZMFHTUTVKHOBV-HUUCEWRRSA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001570732586 1167583894 /nfs/dbraw/zinc/58/38/94/1167583894.db2.gz WRXQZNPDCORHIY-KKUMJFAQSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001571408676 1167594982 /nfs/dbraw/zinc/59/49/82/1167594982.db2.gz WHDSDHXBLSJJHZ-HOTGVXAUSA-N 2 0 293.455 1.709 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001565878750 1168065127 /nfs/dbraw/zinc/06/51/27/1168065127.db2.gz PDMFCTZTGSZRSS-KKUMJFAQSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001566465216 1168289163 /nfs/dbraw/zinc/28/91/63/1168289163.db2.gz KEIUUUPYTJOUDD-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@H+](CCC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001567431933 1168755993 /nfs/dbraw/zinc/75/59/93/1168755993.db2.gz XAWPVSXPIZRCHC-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001266338776 894440803 /nfs/dbraw/zinc/44/08/03/894440803.db2.gz CQPJLZXCYQGLKX-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001266818194 896114338 /nfs/dbraw/zinc/11/43/38/896114338.db2.gz YBBXMTGUCNPUDQ-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH2+]C1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001266915973 896333834 /nfs/dbraw/zinc/33/38/34/896333834.db2.gz HKRNFGXUTXFDJS-UHFFFAOYSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267045125 896626725 /nfs/dbraw/zinc/62/67/25/896626725.db2.gz NIXDLYUXFJYSED-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001267279917 897454433 /nfs/dbraw/zinc/45/44/33/897454433.db2.gz NKTMLDHSTHPARE-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001267373093 897748955 /nfs/dbraw/zinc/74/89/55/897748955.db2.gz MPSZPPFQELLZLP-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001272625137 914209663 /nfs/dbraw/zinc/20/96/63/914209663.db2.gz SDMRSMJFWSVUBF-HZPDHXFCSA-N 2 0 293.455 1.424 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC(C)C)CC1 ZINC001480951299 898110143 /nfs/dbraw/zinc/11/01/43/898110143.db2.gz VZXVCRRYMZBKON-UHFFFAOYSA-N 2 0 279.428 1.036 10 30 CDEERP C#CC[N@H+]1CC[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001267602323 898716033 /nfs/dbraw/zinc/71/60/33/898716033.db2.gz ZLTQFLMRHZCGHG-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP C=CC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001267604282 898792617 /nfs/dbraw/zinc/79/26/17/898792617.db2.gz LVZJGPWCMAJEQB-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267646765 899153334 /nfs/dbraw/zinc/15/33/34/899153334.db2.gz RSPXTRVDXOYJHM-HZPDHXFCSA-N 2 0 291.439 1.273 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267988926 900205486 /nfs/dbraw/zinc/20/54/86/900205486.db2.gz BYTFNTOLBKQFPB-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267989559 900209143 /nfs/dbraw/zinc/20/91/43/900209143.db2.gz MOPWKSIHORQJIL-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001481373110 900505403 /nfs/dbraw/zinc/50/54/03/900505403.db2.gz UZWXGDXVUBLFCG-DOTOQJQBSA-N 2 0 299.418 1.409 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481446225 900686053 /nfs/dbraw/zinc/68/60/53/900686053.db2.gz FMBZHMBBNVTKBY-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001481528477 901079794 /nfs/dbraw/zinc/07/97/94/901079794.db2.gz OENFHQRPZKNWBE-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001268213919 901586624 /nfs/dbraw/zinc/58/66/24/901586624.db2.gz QDTGZTYKWITSNB-SOUVJXGZSA-N 2 0 279.428 1.080 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001481660267 901751399 /nfs/dbraw/zinc/75/13/99/901751399.db2.gz DWZJSTVSIRRFII-STQMWFEESA-N 2 0 265.401 1.093 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268404207 902003509 /nfs/dbraw/zinc/00/35/09/902003509.db2.gz RPKKBDLETWEQPH-HOTGVXAUSA-N 2 0 293.455 1.757 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001483767451 914735741 /nfs/dbraw/zinc/73/57/41/914735741.db2.gz KRYLFBJERMEBET-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C[NH+](C)C1(CNC(=[NH2+])NC2CC2)CCCCCC1 ZINC000261891540 903920524 /nfs/dbraw/zinc/92/05/24/903920524.db2.gz TZJVNZMVACMWJF-UHFFFAOYSA-N 2 0 252.406 1.708 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269790714 904117231 /nfs/dbraw/zinc/11/72/31/904117231.db2.gz KBPIZBSOFHBKIO-HOTGVXAUSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482324343 905020813 /nfs/dbraw/zinc/02/08/13/905020813.db2.gz VGAOXYJQQVGOAK-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC2CC2)CC1 ZINC001482366603 905209638 /nfs/dbraw/zinc/20/96/38/905209638.db2.gz BDWNUGONOMWBRI-AWEZNQCLSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001271074671 905615168 /nfs/dbraw/zinc/61/51/68/905615168.db2.gz HYLQFDFKDBSQRB-ZNMIVQPWSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001271276976 906222169 /nfs/dbraw/zinc/22/21/69/906222169.db2.gz DCQDRIMSRZAMMW-OAHLLOKOSA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001271294644 906231949 /nfs/dbraw/zinc/23/19/49/906231949.db2.gz RDHJRMIFNHEGET-JKSUJKDBSA-N 2 0 295.471 1.716 10 30 CDEERP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001272043743 907685477 /nfs/dbraw/zinc/68/54/77/907685477.db2.gz NIIFBHXURMPARD-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001482848090 908425321 /nfs/dbraw/zinc/42/53/21/908425321.db2.gz LFVPWCGGNGXJBW-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000714994622 909774967 /nfs/dbraw/zinc/77/49/67/909774967.db2.gz ACIWOJFHOXLKAU-RRFJBIMHSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001483384543 911025695 /nfs/dbraw/zinc/02/56/95/911025695.db2.gz PKHBWNKUMVGVLV-CYBMUJFWSA-N 2 0 267.417 1.034 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001568064786 1169131669 /nfs/dbraw/zinc/13/16/69/1169131669.db2.gz OSDDBJTURKTRKL-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001484716648 916073783 /nfs/dbraw/zinc/07/37/83/916073783.db2.gz OYIMVFYIGQMTQH-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001484815765 916183485 /nfs/dbraw/zinc/18/34/85/916183485.db2.gz WGAWMNQLNLNLKQ-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCOCC1 ZINC001484870415 916219760 /nfs/dbraw/zinc/21/97/60/916219760.db2.gz DEOLJCIKMNITHD-CQSZACIVSA-N 2 0 297.443 1.158 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001484941841 916299687 /nfs/dbraw/zinc/29/96/87/916299687.db2.gz LCKCEWBOYBJFOW-ZIAGYGMSSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001485229471 916682680 /nfs/dbraw/zinc/68/26/80/916682680.db2.gz JNDVAKIXHNZXPM-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001485232108 916686629 /nfs/dbraw/zinc/68/66/29/916686629.db2.gz OSKIJUVYSGAVSQ-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)CN(C)Cc1ccccc1 ZINC001485390981 916925055 /nfs/dbraw/zinc/92/50/55/916925055.db2.gz LXFHERIEKLUUNG-OAHLLOKOSA-N 2 0 289.423 1.741 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001276380641 936621693 /nfs/dbraw/zinc/62/16/93/936621693.db2.gz BTLVAWIUYRIZGL-IIAWOOMASA-N 2 0 293.455 1.729 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001485882914 920543462 /nfs/dbraw/zinc/54/34/62/920543462.db2.gz XOKMTOPMWSZOQW-LBPRGKRZSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001490902738 936685119 /nfs/dbraw/zinc/68/51/19/936685119.db2.gz RIRAETHUHJYQMG-KKUMJFAQSA-N 2 0 281.444 1.776 10 30 CDEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001486441675 921021818 /nfs/dbraw/zinc/02/18/18/921021818.db2.gz VJDMINXLDXTIGV-UKRRQHHQSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001491130590 936861209 /nfs/dbraw/zinc/86/12/09/936861209.db2.gz OEAGPCUTLBPGLX-HNNXBMFYSA-N 2 0 279.428 1.487 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001491174070 936869441 /nfs/dbraw/zinc/86/94/41/936869441.db2.gz OAWSKDXGVHEIMX-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001491260862 936886028 /nfs/dbraw/zinc/88/60/28/936886028.db2.gz ASEMKLPJQRZZMY-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001491538084 936930029 /nfs/dbraw/zinc/93/00/29/936930029.db2.gz IUTGYMWEZFDSOQ-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001488683886 926648639 /nfs/dbraw/zinc/64/86/39/926648639.db2.gz PBUDIORITCOOPO-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001488790099 926714775 /nfs/dbraw/zinc/71/47/75/926714775.db2.gz OPDIZJQZBNVGGC-HRCADAONSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)C[NH+](C)C(C)C)C1CC1 ZINC001490393009 927147275 /nfs/dbraw/zinc/14/72/75/927147275.db2.gz KGJPVCLNVFMDII-UHFFFAOYSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001490708239 927293936 /nfs/dbraw/zinc/29/39/36/927293936.db2.gz AQUZCKKLWSBVNY-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001274222234 931242230 /nfs/dbraw/zinc/24/22/30/931242230.db2.gz XSSJKIZOAGLFDH-GJZGRUSLSA-N 2 0 291.439 1.627 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001274288521 931488281 /nfs/dbraw/zinc/48/82/81/931488281.db2.gz JJSMVBLBKRQPSR-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001274986389 931625373 /nfs/dbraw/zinc/62/53/73/931625373.db2.gz QAPACZFIPUHMEC-UONOGXRCSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001275656630 931934319 /nfs/dbraw/zinc/93/43/19/931934319.db2.gz IDAZIRMHVKYWOC-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[C@H](CO)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925628327 932917769 /nfs/dbraw/zinc/91/77/69/932917769.db2.gz CWBRNHBCVORJPF-RFQIPJPRSA-N 2 0 252.402 1.537 10 30 CDEERP CC1(C#N)CCC([NH2+]CCN2CCC([NH3+])CC2)CC1 ZINC000925818206 932942273 /nfs/dbraw/zinc/94/22/73/932942273.db2.gz ZRRNEZCEGKVXGQ-UHFFFAOYSA-N 2 0 264.417 1.472 10 30 CDEERP C[NH+](C)CCCNC(=[NH2+])NCCc1cccs1 ZINC000303722877 935042061 /nfs/dbraw/zinc/04/20/61/935042061.db2.gz YMPGDBSZYBIOHF-UHFFFAOYSA-N 2 0 254.403 1.147 10 30 CDEERP Cc1cccc(NC(=[NH2+])NC[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000303971356 935047811 /nfs/dbraw/zinc/04/78/11/935047811.db2.gz DLLZRWHRSIELGM-AWEZNQCLSA-N 2 0 289.427 1.358 10 30 CDEERP CC(C)[N@H+](C)CCNC(=[NH2+])NCCc1cccs1 ZINC000303979048 935048911 /nfs/dbraw/zinc/04/89/11/935048911.db2.gz MSOWHRFGKIKQGM-UHFFFAOYSA-N 2 0 268.430 1.535 10 30 CDEERP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303975543 935049022 /nfs/dbraw/zinc/04/90/22/935049022.db2.gz JEOZPLBHXDUIJP-KBPBESRZSA-N 2 0 282.432 1.144 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001278258953 945219361 /nfs/dbraw/zinc/21/93/61/945219361.db2.gz IVQGVXMJNIDQIT-HUUCEWRRSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001568700155 1169436744 /nfs/dbraw/zinc/43/67/44/1169436744.db2.gz LISFHBMXLYMJTJ-UONOGXRCSA-N 2 0 267.417 1.080 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CC ZINC001276752726 940980084 /nfs/dbraw/zinc/98/00/84/940980084.db2.gz UXJRSBAPJARPHQ-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001276798094 941284049 /nfs/dbraw/zinc/28/40/49/941284049.db2.gz BRCUWSBTUBGTCH-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001277210163 942178391 /nfs/dbraw/zinc/17/83/91/942178391.db2.gz JFVXVCYPICVQBS-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001280480102 942451132 /nfs/dbraw/zinc/45/11/32/942451132.db2.gz AYIBQGSPCKEDKO-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCC1 ZINC001280544814 942459884 /nfs/dbraw/zinc/45/98/84/942459884.db2.gz GKYVKPNGSJSFQT-HNNXBMFYSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001282400874 942707339 /nfs/dbraw/zinc/70/73/39/942707339.db2.gz CHHBOCHGIBZYEJ-KBPBESRZSA-N 2 0 267.417 1.032 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001277883253 943943074 /nfs/dbraw/zinc/94/30/74/943943074.db2.gz DULHMYSFTOAGGO-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001263819346 943987612 /nfs/dbraw/zinc/98/76/12/943987612.db2.gz SBDBIOQWGVLEII-HUUCEWRRSA-N 2 0 281.444 1.681 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001263879258 944018780 /nfs/dbraw/zinc/01/87/80/944018780.db2.gz TWVQTILBQHTTLE-WKILWMFISA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001277924185 944061673 /nfs/dbraw/zinc/06/16/73/944061673.db2.gz BMHTVAFBXDSDIG-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001264371079 944114143 /nfs/dbraw/zinc/11/41/43/944114143.db2.gz PCRNPOHEYLVEAS-CABCVRRESA-N 2 0 281.444 1.826 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001277954340 944209296 /nfs/dbraw/zinc/20/92/96/944209296.db2.gz PBKJJTZOSISXQG-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265208028 944277206 /nfs/dbraw/zinc/27/72/06/944277206.db2.gz OSLWUASGRVISGE-HUUCEWRRSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001265508845 944412893 /nfs/dbraw/zinc/41/28/93/944412893.db2.gz NCEBESITAIBSDI-QAQDUYKDSA-N 2 0 299.418 1.622 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001265571255 944433205 /nfs/dbraw/zinc/43/32/05/944433205.db2.gz JGPJYWSXGVGTIL-TUVASFSCSA-N 2 0 277.412 1.119 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001265812917 944518017 /nfs/dbraw/zinc/51/80/17/944518017.db2.gz GZQKODUIFJWWHS-KKUMJFAQSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)CCF)CC1 ZINC001280883242 944559709 /nfs/dbraw/zinc/55/97/09/944559709.db2.gz HXKAOVCYRFNNDN-UHFFFAOYSA-N 2 0 297.418 1.081 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001265931134 944578559 /nfs/dbraw/zinc/57/85/59/944578559.db2.gz YOVCHAGAMKDOQF-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266054115 944657512 /nfs/dbraw/zinc/65/75/12/944657512.db2.gz IONXWXTZSNIWMV-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266116339 944690377 /nfs/dbraw/zinc/69/03/77/944690377.db2.gz JQCSQSLXMGXKAI-CVEARBPZSA-N 2 0 293.455 1.519 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001479641558 971357076 /nfs/dbraw/zinc/35/70/76/971357076.db2.gz DXCZVWFRIPBNGB-MJBXVCDLSA-N 2 0 267.417 1.482 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001479675002 971362824 /nfs/dbraw/zinc/36/28/24/971362824.db2.gz ZWVUZLAUAZQMBE-CVEARBPZSA-N 2 0 293.455 1.683 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479737488 971390461 /nfs/dbraw/zinc/39/04/61/971390461.db2.gz IMFLIONXIKQWHW-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=CCC[NH+]1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001479889056 971470863 /nfs/dbraw/zinc/47/08/63/971470863.db2.gz TVIPBVHHHPKABZ-UHFFFAOYSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001279038197 948634642 /nfs/dbraw/zinc/63/46/42/948634642.db2.gz FUBKXYNHSFCDCC-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001480256880 971649613 /nfs/dbraw/zinc/64/96/13/971649613.db2.gz ILFAJBTUEYLHLR-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001480798983 971883649 /nfs/dbraw/zinc/88/36/49/971883649.db2.gz YTKAYVFEGKPOCD-CQSZACIVSA-N 2 0 287.407 1.479 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001324453170 953397736 /nfs/dbraw/zinc/39/77/36/953397736.db2.gz IVQGVXMJNIDQIT-GJZGRUSLSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001493137015 971955951 /nfs/dbraw/zinc/95/59/51/971955951.db2.gz CPLUGXGQJZTTMT-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001493138841 971959357 /nfs/dbraw/zinc/95/93/57/971959357.db2.gz XXMBSIPFGZWGJK-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001493334038 972018663 /nfs/dbraw/zinc/01/86/63/972018663.db2.gz LCRIXXVOZRWMTJ-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001492036635 955623723 /nfs/dbraw/zinc/62/37/23/955623723.db2.gz ILUYKFXGEOBYFQ-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001492176350 955669548 /nfs/dbraw/zinc/66/95/48/955669548.db2.gz XGZXMKKORPDWBX-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001493858305 972127416 /nfs/dbraw/zinc/12/74/16/972127416.db2.gz DCNAUELYOWHXFB-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001329441493 955917639 /nfs/dbraw/zinc/91/76/39/955917639.db2.gz NGLLJPGLSFXHPK-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001329578599 955998921 /nfs/dbraw/zinc/99/89/21/955998921.db2.gz PHFYWIACCYJLIW-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001330000280 956228340 /nfs/dbraw/zinc/22/83/40/956228340.db2.gz OTQXDYOWBKXCLN-CYBMUJFWSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)CC[NH+](C)CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001316850219 956284627 /nfs/dbraw/zinc/28/46/27/956284627.db2.gz AYHPBNWZDKXMAJ-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001317025807 956928189 /nfs/dbraw/zinc/92/81/89/956928189.db2.gz UQJWQXCBMPGWFJ-INIZCTEOSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001316806679 957030146 /nfs/dbraw/zinc/03/01/46/957030146.db2.gz LEQZCNFPHVTYGA-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001316890056 957100719 /nfs/dbraw/zinc/10/07/19/957100719.db2.gz KSGBFTFOCFYUOZ-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001316993029 957192836 /nfs/dbraw/zinc/19/28/36/957192836.db2.gz WYZGVVWGLRXTKU-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001317014069 957202855 /nfs/dbraw/zinc/20/28/55/957202855.db2.gz AGJCMBVMVSETRI-HOTGVXAUSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001317248316 957377904 /nfs/dbraw/zinc/37/79/04/957377904.db2.gz WBTSEAIGLOBCRZ-CQSZACIVSA-N 2 0 297.443 1.015 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001317284140 957403480 /nfs/dbraw/zinc/40/34/80/957403480.db2.gz RJNLTBCMPQMAQJ-ZDUSSCGKSA-N 2 0 265.401 1.143 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001317321686 957422707 /nfs/dbraw/zinc/42/27/07/957422707.db2.gz HVJGXEHHDAKZBG-GJZGRUSLSA-N 2 0 297.418 1.128 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001332322695 957517311 /nfs/dbraw/zinc/51/73/11/957517311.db2.gz NCHHRGNVGDVXGZ-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001317513887 957521286 /nfs/dbraw/zinc/52/12/86/957521286.db2.gz ZUIPCVJAPCNWBC-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001332516132 957602227 /nfs/dbraw/zinc/60/22/27/957602227.db2.gz JVCSAQHNNHQMKL-KGLIPLIRSA-N 2 0 265.401 1.271 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317796594 957670109 /nfs/dbraw/zinc/67/01/09/957670109.db2.gz BGESHSLDCBSSDG-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001319476711 958585741 /nfs/dbraw/zinc/58/57/41/958585741.db2.gz ITZHBAARXHAQRS-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001320463994 959188808 /nfs/dbraw/zinc/18/88/08/959188808.db2.gz LVOKUZFVRJLAAQ-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001321340039 959730442 /nfs/dbraw/zinc/73/04/42/959730442.db2.gz WZHWUTFDWVRFJT-GJBLVYBDSA-N 2 0 265.401 1.166 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001321350691 959737289 /nfs/dbraw/zinc/73/72/89/959737289.db2.gz OYZUMVLNZINCRP-SBDDDAINSA-N 2 0 253.390 1.021 10 30 CDEERP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001322167876 960119475 /nfs/dbraw/zinc/11/94/75/960119475.db2.gz HLVSPQYILNUEIK-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001322262121 960157399 /nfs/dbraw/zinc/15/73/99/960157399.db2.gz MNSLJNCSSRZIBN-AWEZNQCLSA-N 2 0 287.407 1.432 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC001322305584 960176591 /nfs/dbraw/zinc/17/65/91/960176591.db2.gz FMURRUDFDUCBFW-GOEBONIOSA-N 2 0 287.407 1.359 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001323570517 960829593 /nfs/dbraw/zinc/82/95/93/960829593.db2.gz HIPUUICYDHGRNU-UHFFFAOYSA-N 2 0 299.418 1.624 10 30 CDEERP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001323860120 961005976 /nfs/dbraw/zinc/00/59/76/961005976.db2.gz NMARBGRPPVEDOZ-MRXNPFEDSA-N 2 0 291.439 1.439 10 30 CDEERP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001323860119 961006043 /nfs/dbraw/zinc/00/60/43/961006043.db2.gz NMARBGRPPVEDOZ-INIZCTEOSA-N 2 0 291.439 1.439 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001436824828 962437511 /nfs/dbraw/zinc/43/75/11/962437511.db2.gz FENFTGGZHKDZLA-ZDUSSCGKSA-N 2 0 285.819 1.319 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001436952325 962522132 /nfs/dbraw/zinc/52/21/32/962522132.db2.gz INIZVBJLXRKLFB-HZSPNIEDSA-N 2 0 299.846 1.850 10 30 CDEERP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001438427891 963445621 /nfs/dbraw/zinc/44/56/21/963445621.db2.gz DULJPOQPUWIJKS-DOMZBBRYSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001438761040 963543326 /nfs/dbraw/zinc/54/33/26/963543326.db2.gz ATCWEYMLQSAUGN-YPMHNXCESA-N 2 0 287.835 1.517 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001496916533 973143950 /nfs/dbraw/zinc/14/39/50/973143950.db2.gz ITEPMDPAPXYVOE-CVEARBPZSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001497278734 973272941 /nfs/dbraw/zinc/27/29/41/973272941.db2.gz XZKGLBJZRVHINB-HZPDHXFCSA-N 2 0 293.455 1.759 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001497484393 973362849 /nfs/dbraw/zinc/36/28/49/973362849.db2.gz MJNZCNNJYGWTEV-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001497843592 973546628 /nfs/dbraw/zinc/54/66/28/973546628.db2.gz TUAIQCNXAMWDDF-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001498484360 973946344 /nfs/dbraw/zinc/94/63/44/973946344.db2.gz JBKZYIOZYQJALA-HUUCEWRRSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001498504662 973952226 /nfs/dbraw/zinc/95/22/26/973952226.db2.gz PASAGJVTNXRCHN-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001498641599 974008958 /nfs/dbraw/zinc/00/89/58/974008958.db2.gz IWCSLKNSCGAIMR-LBPRGKRZSA-N 2 0 275.824 1.517 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001499261929 974224654 /nfs/dbraw/zinc/22/46/54/974224654.db2.gz RIWPEYXWKOGOIY-LSDHHAIUSA-N 2 0 291.439 1.818 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001499372464 974244873 /nfs/dbraw/zinc/24/48/73/974244873.db2.gz XADOYCSUBXTQRL-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001499420793 974251753 /nfs/dbraw/zinc/25/17/53/974251753.db2.gz JXIFXCLIBIZOQZ-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001500376034 974429544 /nfs/dbraw/zinc/42/95/44/974429544.db2.gz DZYGJDCCZVFMKY-KRWDZBQOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[N@@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001501240222 974553282 /nfs/dbraw/zinc/55/32/82/974553282.db2.gz IWTLYXNPTGHRCI-GASCZTMLSA-N 2 0 279.428 1.295 10 30 CDEERP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001501404560 974578252 /nfs/dbraw/zinc/57/82/52/974578252.db2.gz SJQWBSWIKIAQFL-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001501886655 974652401 /nfs/dbraw/zinc/65/24/01/974652401.db2.gz ISPXPWSPTRHBOZ-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001376727369 974745150 /nfs/dbraw/zinc/74/51/50/974745150.db2.gz BSYBZQQPAIXHHF-IJLUTSLNSA-N 2 0 273.808 1.173 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001502972651 974807928 /nfs/dbraw/zinc/80/79/28/974807928.db2.gz ZMRSLMYMNSZXJZ-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001503463612 974821825 /nfs/dbraw/zinc/82/18/25/974821825.db2.gz TXRFYFHNRKJRGK-UONOGXRCSA-N 2 0 269.433 1.633 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505685476 974962883 /nfs/dbraw/zinc/96/28/83/974962883.db2.gz HNKMJVNDRKCKDL-KGLIPLIRSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001505980761 975069450 /nfs/dbraw/zinc/06/94/50/975069450.db2.gz JKMPPQBNMIIQSO-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001506179703 975121402 /nfs/dbraw/zinc/12/14/02/975121402.db2.gz UUBZTIVGIHEKAR-OAGGEKHMSA-N 2 0 295.471 1.975 10 30 CDEERP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001377766437 975132356 /nfs/dbraw/zinc/13/23/56/975132356.db2.gz NMRULVVPRTXSDC-KBPBESRZSA-N 2 0 299.846 1.471 10 30 CDEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001506541723 975176339 /nfs/dbraw/zinc/17/63/39/975176339.db2.gz JVVQAZKPOWRLOD-RBSFLKMASA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001507355117 975428871 /nfs/dbraw/zinc/42/88/71/975428871.db2.gz KOGBTEJFLMIDRA-BFYDXBDKSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001401866334 975958034 /nfs/dbraw/zinc/95/80/34/975958034.db2.gz JJJSIOMYJXZNNL-BXUZGUMPSA-N 2 0 299.846 1.565 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001674681172 1173986776 /nfs/dbraw/zinc/98/67/76/1173986776.db2.gz PLNIAJLDDNPXOH-OLZOCXBDSA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001677281469 1174345425 /nfs/dbraw/zinc/34/54/25/1174345425.db2.gz JLRZNOZABKKSCV-KBPBESRZSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001570361513 1170143183 /nfs/dbraw/zinc/14/31/83/1170143183.db2.gz FOAJFMHZXQARAG-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001570753347 1170271480 /nfs/dbraw/zinc/27/14/80/1170271480.db2.gz HQUZMKFUJWMFPG-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001570843628 1170297650 /nfs/dbraw/zinc/29/76/50/1170297650.db2.gz LWNIVPPAEPGIKV-HIFRSBDPSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001570863891 1170306089 /nfs/dbraw/zinc/30/60/89/1170306089.db2.gz NTVLTCDYJBREQS-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001571624306 1170500654 /nfs/dbraw/zinc/50/06/54/1170500654.db2.gz HQQFIQAFNRTARU-LSDHHAIUSA-N 2 0 293.455 1.635 10 30 CDEERP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000651706702 398156635 /nfs/dbraw/zinc/15/66/35/398156635.db2.gz KFGQHGUPQCWJBF-OWCLPIDISA-N 2 0 293.455 1.908 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000594443624 342908211 /nfs/dbraw/zinc/90/82/11/342908211.db2.gz GDUXMGOHELVYGD-CABCVRRESA-N 2 0 292.427 1.246 10 30 CDEERP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CC[NH3+] ZINC000594454116 342911161 /nfs/dbraw/zinc/91/11/61/342911161.db2.gz TYNDOECTADRUMN-MGPQQGTHSA-N 2 0 280.416 1.374 10 30 CDEERP C[NH+]1CCC(CC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600724488 342245045 /nfs/dbraw/zinc/24/50/45/342245045.db2.gz URQPNVQBNHIZSF-AWEZNQCLSA-N 2 0 265.401 1.363 10 30 CDEERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598720658 343883677 /nfs/dbraw/zinc/88/36/77/343883677.db2.gz PCMYTBMZALGIOD-OAHLLOKOSA-N 2 0 281.444 1.999 10 30 CDEERP CC#CC[C@@H](CO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000641766874 365828785 /nfs/dbraw/zinc/82/87/85/365828785.db2.gz CSPANRFODRCHQM-ZDUSSCGKSA-N 2 0 270.336 1.131 10 30 CDEERP C=CC[C@]1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCC[NH2+]1 ZINC000621699842 350728882 /nfs/dbraw/zinc/72/88/82/350728882.db2.gz CQRSIBYYSFPWPZ-BPLDGKMQSA-N 2 0 263.385 1.025 10 30 CDEERP N#CCc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000563153631 359132885 /nfs/dbraw/zinc/13/28/85/359132885.db2.gz CMFSJNBGEJTCME-IRXDYDNUSA-N 2 0 285.391 1.609 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001660826818 1172282746 /nfs/dbraw/zinc/28/27/46/1172282746.db2.gz ZZSXDRSXMRNWHZ-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C[C@H]1C[C@@H](N(C)Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1C ZINC000581943882 364052438 /nfs/dbraw/zinc/05/24/38/364052438.db2.gz DVAMDHRCKNBLOL-WFASDCNBSA-N 2 0 298.394 1.515 10 30 CDEERP C[N@@H+]1CCN(CCNCc2nc(C#N)cs2)CC1(C)C ZINC000352863141 374363591 /nfs/dbraw/zinc/36/35/91/374363591.db2.gz SSOVPMVQRJTPEU-UHFFFAOYSA-N 2 0 293.440 1.130 10 30 CDEERP C[C@@H]([NH3+])[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423461718 374383350 /nfs/dbraw/zinc/38/33/50/374383350.db2.gz KDTMOLUDASXQHI-OLZOCXBDSA-N 2 0 272.396 1.852 10 30 CDEERP C=CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001661866510 1172459588 /nfs/dbraw/zinc/45/95/88/1172459588.db2.gz PBXIVOKGCPUWQA-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246623583 376958403 /nfs/dbraw/zinc/95/84/03/376958403.db2.gz BZFSIHJEAHOSDF-KKUMJFAQSA-N 2 0 254.418 1.976 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H](C[NH3+])CCCC)CCC[NH2+]1 ZINC000662431923 413013027 /nfs/dbraw/zinc/01/30/27/413013027.db2.gz NNEFENVMGAXTLU-GXTWGEPZSA-N 2 0 253.390 1.318 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236660843 390918058 /nfs/dbraw/zinc/91/80/58/390918058.db2.gz QKYXNXDAEZWEEB-KBMXLJTQSA-N 2 0 291.439 1.674 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001664811901 1172915060 /nfs/dbraw/zinc/91/50/60/1172915060.db2.gz KEPIANLJRZVAAC-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@@H]([NH+](C)C)C2)CCC[NH2+]1 ZINC000662713786 413368989 /nfs/dbraw/zinc/36/89/89/413368989.db2.gz YTRYVJIFAHWQPT-UKRRQHHQSA-N 2 0 265.401 1.237 10 30 CDEERP N#CC1(NC(=O)C[NH+]2CCC(C[NH3+])CC2)CCCCCC1 ZINC000044513948 175189302 /nfs/dbraw/zinc/18/93/02/175189302.db2.gz UDAVVQNBPAIEHX-UHFFFAOYSA-N 2 0 292.427 1.390 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001666619534 1173161999 /nfs/dbraw/zinc/16/19/99/1173161999.db2.gz FEISMGQBHUJCSA-CQSZACIVSA-N 2 0 281.444 1.330 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000662402485 424042194 /nfs/dbraw/zinc/04/21/94/424042194.db2.gz ABPTYNUVUUHMGB-KCQAQPDRSA-N 2 0 265.401 1.189 10 30 CDEERP C=CC[C@@]1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662720212 424373779 /nfs/dbraw/zinc/37/37/79/424373779.db2.gz WBZVCGJHEPEVBI-HOCLYGCPSA-N 2 0 277.412 1.380 10 30 CDEERP C=CC[C@]1(C(=O)N(C)CC[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662833744 424515421 /nfs/dbraw/zinc/51/54/21/424515421.db2.gz QHYSJTGIBFCZDL-MRXNPFEDSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[C@]1(C(=O)NCCC[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000662783306 424460303 /nfs/dbraw/zinc/46/03/03/424460303.db2.gz DUHHDUCBCDAGQL-UKRRQHHQSA-N 2 0 265.401 1.333 10 30 CDEERP C=CCCC[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000121094149 267553390 /nfs/dbraw/zinc/55/33/90/267553390.db2.gz JLJZAKBWFJGPCN-UHFFFAOYSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001669140224 1173508473 /nfs/dbraw/zinc/50/84/73/1173508473.db2.gz XAFGUZQBSOQUFY-FOSCPCJNSA-N 2 0 279.428 1.556 10 30 CDEERP [NH2+]=C(NCc1cccnc1-n1ccnc1)N1CCCCC1 ZINC000170912474 329072362 /nfs/dbraw/zinc/07/23/62/329072362.db2.gz PBOGSMODPLELGA-UHFFFAOYSA-N 2 0 284.367 1.568 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000262491852 330017354 /nfs/dbraw/zinc/01/73/54/330017354.db2.gz JKPJTJZFDPBZOT-MXASKKJJSA-N 2 0 298.434 1.713 10 30 CDEERP [NH2+]=C(NCc1ccc2c[nH+]cn2c1)NCC1CCC1 ZINC000263083145 330042616 /nfs/dbraw/zinc/04/26/16/330042616.db2.gz HZLPBFZEWGQBNV-UHFFFAOYSA-N 2 0 257.341 1.539 10 30 CDEERP C=CCC[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267320423 1159264367 /nfs/dbraw/zinc/26/43/67/1159264367.db2.gz JNELSWOQIIUGRH-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001481269168 1159602243 /nfs/dbraw/zinc/60/22/43/1159602243.db2.gz BVCXKMXLAOMZPU-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001483337632 1160907408 /nfs/dbraw/zinc/90/74/08/1160907408.db2.gz MVNAARJTTHETAG-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001707386804 1178008081 /nfs/dbraw/zinc/00/80/81/1178008081.db2.gz YWZPGTQAUFREGI-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001715367046 1179645231 /nfs/dbraw/zinc/64/52/31/1179645231.db2.gz REYCRBRWTWEWLC-AWEZNQCLSA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+]CCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001717686406 1180791279 /nfs/dbraw/zinc/79/12/79/1180791279.db2.gz BYXVATQLFFHMKC-CQSZACIVSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001731791875 1182583603 /nfs/dbraw/zinc/58/36/03/1182583603.db2.gz MOSBNKUBBWFITK-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001733065429 1183272984 /nfs/dbraw/zinc/27/29/84/1183272984.db2.gz IILIIWQBQLRGMR-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH+](CC=C)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052376553 518769069 /nfs/dbraw/zinc/76/90/69/518769069.db2.gz BLYHYHUFCPYWNX-UHFFFAOYSA-N 2 0 263.389 1.450 10 30 CDEERP CC[NH+](CC)[C@@H](CN/C(N)=[NH+]/O)c1ccccc1 ZINC000052833481 520831200 /nfs/dbraw/zinc/83/12/00/520831200.db2.gz PMCGQSPADNZZMZ-LBPRGKRZSA-N 2 0 250.346 1.363 10 30 CDEERP CC[C@@H](C)[NH+]1CCN(Cc2cccc(C#CC[NH3+])c2)CC1 ZINC000055069315 522125438 /nfs/dbraw/zinc/12/54/38/522125438.db2.gz RLVNQEAMEIYNHK-MRXNPFEDSA-N 2 0 285.435 1.913 10 30 CDEERP Cn1cc(C[N@H+](C)Cc2cccc(C#CC[NH3+])c2)cn1 ZINC000049609824 523515404 /nfs/dbraw/zinc/51/54/04/523515404.db2.gz HDFJWGBEFCDALR-UHFFFAOYSA-N 2 0 268.364 1.362 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000334892429 526429223 /nfs/dbraw/zinc/42/92/23/526429223.db2.gz NGPDCXJSKPCSPF-ZFWWWQNUSA-N 2 0 292.427 1.030 10 30 CDEERP C#CCCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000766899668 576144430 /nfs/dbraw/zinc/14/44/30/576144430.db2.gz DCGJHNHTQQKQMZ-INIZCTEOSA-N 2 0 263.429 1.502 10 30 CDEERP C(CCCNC1=[NH+]CCCN1)CCC[NH+]1CCCC1 ZINC000750544590 576994989 /nfs/dbraw/zinc/99/49/89/576994989.db2.gz LFHVOAXMXCRPSN-UHFFFAOYSA-N 2 0 266.433 1.972 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939544544 613351146 /nfs/dbraw/zinc/35/11/46/613351146.db2.gz KLSSCROOHJETDU-KBPBESRZSA-N 2 0 277.412 1.095 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925711997 617811072 /nfs/dbraw/zinc/81/10/72/617811072.db2.gz YSCFALVYRQCOBH-MELADBBJSA-N 2 0 250.386 1.842 10 30 CDEERP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925859687 617899030 /nfs/dbraw/zinc/89/90/30/617899030.db2.gz XPOIJMHHBZTKTE-MGPQQGTHSA-N 2 0 291.395 1.344 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000900006862 622624232 /nfs/dbraw/zinc/62/42/32/622624232.db2.gz CESJYEUGDSRXCZ-UHFFFAOYSA-N 2 0 288.395 1.238 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000900241435 622823079 /nfs/dbraw/zinc/82/30/79/622823079.db2.gz STAHBPIRNSNQOQ-KGLIPLIRSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000900781548 623471812 /nfs/dbraw/zinc/47/18/12/623471812.db2.gz FJZDOJOGZZYLRD-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000900856958 623573649 /nfs/dbraw/zinc/57/36/49/623573649.db2.gz DIBBHBCPAYUZHI-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903151770 625877438 /nfs/dbraw/zinc/87/74/38/625877438.db2.gz KERIEWYIQOPHJX-YPRXJGMQSA-N 2 0 250.386 1.671 10 30 CDEERP Cc1cc(C#N)cc(C)c1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000903453035 626001211 /nfs/dbraw/zinc/00/12/11/626001211.db2.gz XGDCAKKWQPJQOA-QGZVFWFLSA-N 2 0 298.434 1.655 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000909262185 628596204 /nfs/dbraw/zinc/59/62/04/628596204.db2.gz RVBAGTSRIPALRQ-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C#CC[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001691112093 1158915244 /nfs/dbraw/zinc/91/52/44/1158915244.db2.gz DNYFYNHWHLLBKL-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000876533307 1165865522 /nfs/dbraw/zinc/86/55/22/1165865522.db2.gz HUVWLZMVCHZBPF-MXWKQRLJSA-N 2 0 259.781 1.042 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000876555075 1165870727 /nfs/dbraw/zinc/87/07/27/1165870727.db2.gz LDGJOJHQJIRYLL-LBPRGKRZSA-N 2 0 287.835 1.837 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000876778571 1165914700 /nfs/dbraw/zinc/91/47/00/1165914700.db2.gz IQRICUANRILLHY-ZDUSSCGKSA-N 2 0 299.846 1.933 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000876869092 1165929804 /nfs/dbraw/zinc/92/98/04/1165929804.db2.gz PYMOTIJOOYYHID-AGIUHOORSA-N 2 0 285.819 1.304 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000876933266 1165942900 /nfs/dbraw/zinc/94/29/00/1165942900.db2.gz KRORINWIZWJODC-GFCCVEGCSA-N 2 0 267.760 1.862 10 30 CDEERP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001641720032 1167132141 /nfs/dbraw/zinc/13/21/41/1167132141.db2.gz NYUZTMRZAMQUIF-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001565961188 1168206145 /nfs/dbraw/zinc/20/61/45/1168206145.db2.gz NELDGTNQUUPKIA-PMPSAXMXSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001566694851 1168388536 /nfs/dbraw/zinc/38/85/36/1168388536.db2.gz OZBAADJDNWUNNY-OAHLLOKOSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001567964909 1169098231 /nfs/dbraw/zinc/09/82/31/1169098231.db2.gz PRZFEMKUBOVZBN-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001649451712 1169259390 /nfs/dbraw/zinc/25/93/90/1169259390.db2.gz FAKPYERVZPGSIA-NWDGAFQWSA-N 2 0 273.808 1.318 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001568537326 1169354054 /nfs/dbraw/zinc/35/40/54/1169354054.db2.gz PCHYJPUTZIFZGQ-UONOGXRCSA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[N@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001569386796 1169841749 /nfs/dbraw/zinc/84/17/49/1169841749.db2.gz VWJTVVMGMHMZNY-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001569829365 1170009050 /nfs/dbraw/zinc/00/90/50/1170009050.db2.gz XULGVSKEPAIXIT-KGLIPLIRSA-N 2 0 267.417 1.339 10 30 CDEERP C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001570608079 1170209197 /nfs/dbraw/zinc/20/91/97/1170209197.db2.gz MVWBULZXSSYRDB-KGLIPLIRSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)(C)C ZINC001571624917 1170500962 /nfs/dbraw/zinc/50/09/62/1170500962.db2.gz SMSKHDBMNXYKSX-CABCVRRESA-N 2 0 293.455 1.613 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC ZINC001656752415 1171869264 /nfs/dbraw/zinc/86/92/64/1171869264.db2.gz DXCZVWFRIPBNGB-BFHYXJOUSA-N 2 0 267.417 1.482 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001661141385 1172341192 /nfs/dbraw/zinc/34/11/92/1172341192.db2.gz AQQCPVHOQVNPMB-LSDHHAIUSA-N 2 0 279.428 1.531 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001661202320 1172354850 /nfs/dbraw/zinc/35/48/50/1172354850.db2.gz OUAFHLMCZSHOGX-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001662727858 1172587125 /nfs/dbraw/zinc/58/71/25/1172587125.db2.gz LRYKVRZSAXDLFO-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1 ZINC001665947907 1173090319 /nfs/dbraw/zinc/09/03/19/1173090319.db2.gz ATDKVFYZQRDIDE-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001667008437 1173220514 /nfs/dbraw/zinc/22/05/14/1173220514.db2.gz UIICDDIQDJWYDL-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001668117128 1173370779 /nfs/dbraw/zinc/37/07/79/1173370779.db2.gz DCMWALWCKGJQBL-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001671383340 1173679244 /nfs/dbraw/zinc/67/92/44/1173679244.db2.gz BPFKQSSRANIPOF-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001673918603 1173897646 /nfs/dbraw/zinc/89/76/46/1173897646.db2.gz ZRTVNSKMPCVAQO-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001675552839 1174126559 /nfs/dbraw/zinc/12/65/59/1174126559.db2.gz IDAPOFHPEWFAQN-PHZGNYQRSA-N 2 0 293.455 1.588 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001676056638 1174177815 /nfs/dbraw/zinc/17/78/15/1174177815.db2.gz BEOFZWWOXQTOIM-MRXNPFEDSA-N 2 0 293.455 1.970 10 30 CDEERP C#CCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001689805383 1174666446 /nfs/dbraw/zinc/66/64/46/1174666446.db2.gz AJJBHSYKFNKICL-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]cn2)C1 ZINC001688933791 1175072196 /nfs/dbraw/zinc/07/21/96/1175072196.db2.gz XGBIVOGBAJLWAX-AULYBMBSSA-N 2 0 262.357 1.013 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001690866979 1175594464 /nfs/dbraw/zinc/59/44/64/1175594464.db2.gz HJTODMYOLGHPOS-CQSZACIVSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001698654804 1175888338 /nfs/dbraw/zinc/88/83/38/1175888338.db2.gz XHZZEVHVHGLCLT-XJKSGUPXSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001698890482 1175979094 /nfs/dbraw/zinc/97/90/94/1175979094.db2.gz FTBAJEIIXVQZCR-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001698988582 1176019046 /nfs/dbraw/zinc/01/90/46/1176019046.db2.gz HRPLQZGJZDZZMW-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001699018060 1176043002 /nfs/dbraw/zinc/04/30/02/1176043002.db2.gz VVYIHPLGHCDKEP-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001699313872 1176214962 /nfs/dbraw/zinc/21/49/62/1176214962.db2.gz JTOYTUWGWAOKHA-WAYWQWQTSA-N 2 0 277.412 1.004 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699464001 1176426749 /nfs/dbraw/zinc/42/67/49/1176426749.db2.gz LLRVZTBZCQOAIK-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001699753722 1176607733 /nfs/dbraw/zinc/60/77/33/1176607733.db2.gz PFLGRUFHBSGICI-HNNXBMFYSA-N 2 0 291.439 1.772 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001700272681 1176826163 /nfs/dbraw/zinc/82/61/63/1176826163.db2.gz QMTCBJRLUHHLKJ-GJZGRUSLSA-N 2 0 293.455 1.424 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001700313361 1176844246 /nfs/dbraw/zinc/84/42/46/1176844246.db2.gz HZESIZIILXOWHB-ZIAGYGMSSA-N 2 0 277.412 1.073 10 30 CDEERP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001700484217 1176974734 /nfs/dbraw/zinc/97/47/34/1176974734.db2.gz YMCYXWBBFXGRIY-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001700731785 1177098271 /nfs/dbraw/zinc/09/82/71/1177098271.db2.gz WAPQBOLAEPOZRB-MRXNPFEDSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001707082004 1177944471 /nfs/dbraw/zinc/94/44/71/1177944471.db2.gz HWZDJRNHFPJJFV-KLHDSHLOSA-N 2 0 293.455 1.777 10 30 CDEERP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001707117368 1177953609 /nfs/dbraw/zinc/95/36/09/1177953609.db2.gz VWCYZVZGQPFHJV-ARFHVFGLSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001712954882 1178263941 /nfs/dbraw/zinc/26/39/41/1178263941.db2.gz UWAVYJTVJNXVGF-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001713292462 1178469563 /nfs/dbraw/zinc/46/95/63/1178469563.db2.gz MPRPWFZSSHIXNR-NFOMZHRRSA-N 2 0 279.428 1.531 10 30 CDEERP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713397206 1178534976 /nfs/dbraw/zinc/53/49/76/1178534976.db2.gz LFYPSSUUIJCDLM-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001713408776 1178542934 /nfs/dbraw/zinc/54/29/34/1178542934.db2.gz BBEOQJIXXPEHRB-GDBMZVCRSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001713512884 1178618431 /nfs/dbraw/zinc/61/84/31/1178618431.db2.gz UNEMWSIJCXOGGQ-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001713720231 1178721527 /nfs/dbraw/zinc/72/15/27/1178721527.db2.gz QXWPIFNUXICYLF-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH+](CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001713771605 1178746457 /nfs/dbraw/zinc/74/64/57/1178746457.db2.gz NCTVOBCDAXTSIG-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714075711 1178961106 /nfs/dbraw/zinc/96/11/06/1178961106.db2.gz ZHBWULRQJPGJJR-GJZGRUSLSA-N 2 0 281.444 1.920 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001714152130 1178993501 /nfs/dbraw/zinc/99/35/01/1178993501.db2.gz ZCGRZPJHXGMAGG-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001714163795 1178998337 /nfs/dbraw/zinc/99/83/37/1178998337.db2.gz WNWSXOCHLSBEPJ-ZMSDIMECSA-N 2 0 293.455 1.777 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001715157913 1179566292 /nfs/dbraw/zinc/56/62/92/1179566292.db2.gz OFIWAUFMCXBJND-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001715236187 1179590275 /nfs/dbraw/zinc/59/02/75/1179590275.db2.gz RLSCICZCIQLTLC-MGPQQGTHSA-N 2 0 290.411 1.821 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715243398 1179593993 /nfs/dbraw/zinc/59/39/93/1179593993.db2.gz DJZJXFOHFHQIPH-CQSZACIVSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001715402325 1179656886 /nfs/dbraw/zinc/65/68/86/1179656886.db2.gz PIMIMYJJGYSDTH-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001715400490 1179657310 /nfs/dbraw/zinc/65/73/10/1179657310.db2.gz USYAMHGLNXRIHO-JKSUJKDBSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001715560170 1179715995 /nfs/dbraw/zinc/71/59/95/1179715995.db2.gz MBKBVINWTLLJJJ-GJZGRUSLSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001715681840 1179763853 /nfs/dbraw/zinc/76/38/53/1179763853.db2.gz BSCRGHYIMUXDID-CQSZACIVSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001715722482 1179778197 /nfs/dbraw/zinc/77/81/97/1179778197.db2.gz HTTORISSWUQXHA-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001716522183 1180264913 /nfs/dbraw/zinc/26/49/13/1180264913.db2.gz MYQUKLUPECMCBQ-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001716753483 1180400671 /nfs/dbraw/zinc/40/06/71/1180400671.db2.gz HIHGVFJLXMDPMJ-UHFFFAOYSA-N 2 0 293.455 1.971 10 30 CDEERP CC#CC[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001717242317 1180587218 /nfs/dbraw/zinc/58/72/18/1180587218.db2.gz UZTZNWDONAQBJL-UHFFFAOYSA-N 2 0 291.439 1.466 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001717801749 1180863955 /nfs/dbraw/zinc/86/39/55/1180863955.db2.gz HZLCRWSWMSFPAQ-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001724077847 1181633818 /nfs/dbraw/zinc/63/38/18/1181633818.db2.gz RNANDKOLBWHRQZ-HZPDHXFCSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001724545498 1181692294 /nfs/dbraw/zinc/69/22/94/1181692294.db2.gz PYPPWXZSHANITO-GDBMZVCRSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001724588538 1181700277 /nfs/dbraw/zinc/70/02/77/1181700277.db2.gz VAEAZZKHNCSNMI-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001724940582 1181801683 /nfs/dbraw/zinc/80/16/83/1181801683.db2.gz WYROEPQNTBKUGY-GJZGRUSLSA-N 2 0 289.423 1.075 10 30 CDEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725145164 1181882004 /nfs/dbraw/zinc/88/20/04/1181882004.db2.gz AFIWDGBILBEIAS-CQSZACIVSA-N 2 0 281.444 1.588 10 30 CDEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001725390845 1181984815 /nfs/dbraw/zinc/98/48/15/1181984815.db2.gz XMUXRPQWRRZNJI-HZPDHXFCSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725406918 1181991412 /nfs/dbraw/zinc/99/14/12/1181991412.db2.gz FHEFFIYARNGMNC-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001725567247 1182052426 /nfs/dbraw/zinc/05/24/26/1182052426.db2.gz NOZCJQFGRAQSFS-QWHCGFSZSA-N 2 0 265.401 1.093 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001725636415 1182081134 /nfs/dbraw/zinc/08/11/34/1182081134.db2.gz QZXFJEFELZTAFJ-CVEARBPZSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH+]1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001731385917 1182349404 /nfs/dbraw/zinc/34/94/04/1182349404.db2.gz OYOCMLRMWMYRPO-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001731404032 1182363907 /nfs/dbraw/zinc/36/39/07/1182363907.db2.gz DKTNPOLWGXPOLH-INIZCTEOSA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001731420954 1182375146 /nfs/dbraw/zinc/37/51/46/1182375146.db2.gz AUVQMWKGIVEJOY-JKSUJKDBSA-N 2 0 291.439 1.132 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001731421598 1182377123 /nfs/dbraw/zinc/37/71/23/1182377123.db2.gz MFTUFBIJMGGNTA-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001731686113 1182518494 /nfs/dbraw/zinc/51/84/94/1182518494.db2.gz PPEGKDRZNHHXJN-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001731986985 1182715730 /nfs/dbraw/zinc/71/57/30/1182715730.db2.gz UYOQTAPBNZTOBA-GASCZTMLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001731987905 1182716301 /nfs/dbraw/zinc/71/63/01/1182716301.db2.gz OFRUJWNHAOBRRM-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001732252276 1182883812 /nfs/dbraw/zinc/88/38/12/1182883812.db2.gz FUUHWKPQABMCAQ-INIZCTEOSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001732255874 1182886336 /nfs/dbraw/zinc/88/63/36/1182886336.db2.gz GEDNZRYHRVHUFR-WBVHZDCISA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001732778342 1183122294 /nfs/dbraw/zinc/12/22/94/1183122294.db2.gz DMJGPTAVPXCPSY-ZIAGYGMSSA-N 2 0 290.411 1.918 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733049570 1183263624 /nfs/dbraw/zinc/26/36/24/1183263624.db2.gz SDPAFDRPWYSYRQ-AWEZNQCLSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001733083651 1183282284 /nfs/dbraw/zinc/28/22/84/1183282284.db2.gz NLIKLRFHBKQTLX-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001733118323 1183296824 /nfs/dbraw/zinc/29/68/24/1183296824.db2.gz HJMGVHRTFWYRTK-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1CC ZINC001733200733 1183327607 /nfs/dbraw/zinc/32/76/07/1183327607.db2.gz QLPRGBCYKPKUDJ-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C1(CC)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001733806891 1183537107 /nfs/dbraw/zinc/53/71/07/1183537107.db2.gz FWUJBJPGKUTLHS-UHFFFAOYSA-N 2 0 291.439 1.629 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001734476623 1183794362 /nfs/dbraw/zinc/79/43/62/1183794362.db2.gz GEMYGEGPULTPJD-ZBFHGGJFSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001734576084 1183831128 /nfs/dbraw/zinc/83/11/28/1183831128.db2.gz LHPSNVROVMRHSB-QWHCGFSZSA-N 2 0 267.417 1.245 10 30 CDEERP C=CC(C)(C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016997 1165133424 /nfs/dbraw/zinc/13/34/24/1165133424.db2.gz FDQGKXJUCHQVFU-ZIAGYGMSSA-N 2 0 281.444 1.396 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000876874043 813905571 /nfs/dbraw/zinc/90/55/71/813905571.db2.gz YRMNTOBATQELNW-CQSZACIVSA-N 2 0 299.846 1.933 10 30 CDEERP C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261973914 814209636 /nfs/dbraw/zinc/20/96/36/814209636.db2.gz NHIYDCVCSIIIID-UONOGXRCSA-N 2 0 296.459 1.185 10 30 CDEERP C=CCC[C@@H](O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923443050 814686460 /nfs/dbraw/zinc/68/64/60/814686460.db2.gz RXESPEHADBVPCE-ZIAGYGMSSA-N 2 0 268.401 1.143 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001566557127 1168334620 /nfs/dbraw/zinc/33/46/20/1168334620.db2.gz YENNJQNLINWVOT-UHFFFAOYSA-N 2 0 291.439 1.466 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001566859958 1168447830 /nfs/dbraw/zinc/44/78/30/1168447830.db2.gz JUIYMCDWXOQSPQ-BETUJISGSA-N 2 0 253.390 1.141 10 30 CDEERP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001567253040 1168641428 /nfs/dbraw/zinc/64/14/28/1168641428.db2.gz BIHRXMBRSSNYRE-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCCC[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266390537 894662853 /nfs/dbraw/zinc/66/28/53/894662853.db2.gz BJOMBIRDPUWTON-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001266880812 896267124 /nfs/dbraw/zinc/26/71/24/896267124.db2.gz OTNJNGUHFKCCHF-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001267044418 896627412 /nfs/dbraw/zinc/62/74/12/896627412.db2.gz RBEWTEDIJGEOOK-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267053167 896642986 /nfs/dbraw/zinc/64/29/86/896642986.db2.gz LBLUUCGUCBJGKZ-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001267070347 896686062 /nfs/dbraw/zinc/68/60/62/896686062.db2.gz LJTLTORQCRQSMT-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267307061 897548819 /nfs/dbraw/zinc/54/88/19/897548819.db2.gz ZZQCYTMOGCYROO-HNNXBMFYSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)Cn1cncc1C ZINC001267402735 897857655 /nfs/dbraw/zinc/85/76/55/897857655.db2.gz LGHJQPKTBJYCCK-UHFFFAOYSA-N 2 0 264.373 1.206 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001272624186 914205072 /nfs/dbraw/zinc/20/50/72/914205072.db2.gz IISLJPGVXZKBOY-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCCC[NH+](C)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001480951390 898114088 /nfs/dbraw/zinc/11/40/88/898114088.db2.gz ZQOAODQFLROREJ-GASCZTMLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)CCC)C1 ZINC001267548253 898325725 /nfs/dbraw/zinc/32/57/25/898325725.db2.gz BNYCGPPFHWFTQO-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481114469 898890171 /nfs/dbraw/zinc/89/01/71/898890171.db2.gz MYPWRBXCBRKEDG-HNNXBMFYSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267653782 899176193 /nfs/dbraw/zinc/17/61/93/899176193.db2.gz YSPRPOBKVLUHCP-GJZGRUSLSA-N 2 0 297.418 1.080 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267687537 899282533 /nfs/dbraw/zinc/28/25/33/899282533.db2.gz HGYWYLLQWLYMOX-UKRRQHHQSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001267790993 899735824 /nfs/dbraw/zinc/73/58/24/899735824.db2.gz ULBNITPGMSYELT-OAHLLOKOSA-N 2 0 279.428 1.581 10 30 CDEERP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001267815638 899799952 /nfs/dbraw/zinc/79/99/52/899799952.db2.gz QBCOGLDBTAWGEA-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001567693857 1168920029 /nfs/dbraw/zinc/92/00/29/1168920029.db2.gz ZSDNOJYAAFNBOL-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[NH2+][C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001267934424 900002519 /nfs/dbraw/zinc/00/25/19/900002519.db2.gz SFKQXKTYKHPIIQ-SHTZXODSSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267936856 900010103 /nfs/dbraw/zinc/01/01/03/900010103.db2.gz COTZCTYIRWRAIG-CABCVRRESA-N 2 0 297.418 1.270 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001268211981 901581505 /nfs/dbraw/zinc/58/15/05/901581505.db2.gz JQTMRXAFIJQMMQ-CABCVRRESA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH+](C)CCN(C)C(=O)CC[N@@H+](C)CC ZINC001268253533 901674461 /nfs/dbraw/zinc/67/44/61/901674461.db2.gz ADBVRCZPUKTDFT-UHFFFAOYSA-N 2 0 255.406 1.295 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001268375851 901957867 /nfs/dbraw/zinc/95/78/67/901957867.db2.gz SAHHIYWLWFAGEA-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001268491027 902364924 /nfs/dbraw/zinc/36/49/24/902364924.db2.gz JCHIUMWVFNFXOJ-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268582077 902665051 /nfs/dbraw/zinc/66/50/51/902665051.db2.gz MNSDKSDQWWCZPA-DKLOGILVSA-N 2 0 293.455 1.945 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482160340 902781397 /nfs/dbraw/zinc/78/13/97/902781397.db2.gz DBDPEWCLHGLFBH-CYBMUJFWSA-N 2 0 265.401 1.000 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001268775022 903111777 /nfs/dbraw/zinc/11/17/77/903111777.db2.gz ZYXLGUZEIBDRDE-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CC ZINC001269173567 903504984 /nfs/dbraw/zinc/50/49/84/903504984.db2.gz AZCIAORUXSCZRB-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCCC[NH+]1CC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001269293724 903668039 /nfs/dbraw/zinc/66/80/39/903668039.db2.gz ZNUXPVMUZQRXQR-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001269522936 903890477 /nfs/dbraw/zinc/89/04/77/903890477.db2.gz WDZIXFVEJWEOOL-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001269572231 903941167 /nfs/dbraw/zinc/94/11/67/903941167.db2.gz LUQLVRZXTGOQMZ-GJZGRUSLSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001270259869 904485159 /nfs/dbraw/zinc/48/51/59/904485159.db2.gz WUHCDJURWQMEPL-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001270420258 904623368 /nfs/dbraw/zinc/62/33/68/904623368.db2.gz RHLWENAHNNRCFA-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001270600377 904777175 /nfs/dbraw/zinc/77/71/75/904777175.db2.gz ZDQSYFKUQPJFSG-NVXWUHKLSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482323926 905013357 /nfs/dbraw/zinc/01/33/57/905013357.db2.gz NUONOBLBIHXYCL-MJBXVCDLSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001270840368 905126120 /nfs/dbraw/zinc/12/61/20/905126120.db2.gz NNAUYXRKEZTPET-GOEBONIOSA-N 2 0 279.428 1.342 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001270886232 905330081 /nfs/dbraw/zinc/33/00/81/905330081.db2.gz UCUMSPALRHAITK-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001271565237 906520778 /nfs/dbraw/zinc/52/07/78/906520778.db2.gz BMLFBLALMPIEJU-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001271577158 906524523 /nfs/dbraw/zinc/52/45/23/906524523.db2.gz RIFNTHOWZNZFOF-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001271893530 906943831 /nfs/dbraw/zinc/94/38/31/906943831.db2.gz QMFJXMZIIBRTER-CYBMUJFWSA-N 2 0 255.406 1.245 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001272994036 921351114 /nfs/dbraw/zinc/35/11/14/921351114.db2.gz VZGJJOLMNAMUPI-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001483266053 910759770 /nfs/dbraw/zinc/75/97/70/910759770.db2.gz CKMHKEDRKGXDFK-ZDUSSCGKSA-N 2 0 269.433 1.635 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001483352109 910956228 /nfs/dbraw/zinc/95/62/28/910956228.db2.gz WNZXBTHLLIBJPU-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001483383737 911028133 /nfs/dbraw/zinc/02/81/33/911028133.db2.gz JGUBBPQXQTVSQX-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001507426111 911112801 /nfs/dbraw/zinc/11/28/01/911112801.db2.gz FVYAIQMEIXXQPA-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001483793869 915071462 /nfs/dbraw/zinc/07/14/62/915071462.db2.gz NBVCNAJKIKUBHO-ZIAGYGMSSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001483782412 915079962 /nfs/dbraw/zinc/07/99/62/915079962.db2.gz BXBKIJJYRAMXPY-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001483914722 915187893 /nfs/dbraw/zinc/18/78/93/915187893.db2.gz ARODHTMVTKVPAQ-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001484002491 915283239 /nfs/dbraw/zinc/28/32/39/915283239.db2.gz VQIOUKHJDMBPCG-BMFZPTHFSA-N 2 0 291.439 1.224 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484118758 915443415 /nfs/dbraw/zinc/44/34/15/915443415.db2.gz GVHUXVFDDKZWRH-QGZVFWFLSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001484816468 916187471 /nfs/dbraw/zinc/18/74/71/916187471.db2.gz JUQCGZTXTFXOBN-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=C)C ZINC001484993764 916380417 /nfs/dbraw/zinc/38/04/17/916380417.db2.gz GJPZYPPOXJRWKX-GJZGRUSLSA-N 2 0 277.412 1.145 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001485039160 916415885 /nfs/dbraw/zinc/41/58/85/916415885.db2.gz HMZAXLAPWASFKY-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485075201 916472774 /nfs/dbraw/zinc/47/27/74/916472774.db2.gz BEGMZXQQIPMKBT-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001485195132 916657378 /nfs/dbraw/zinc/65/73/78/916657378.db2.gz RZVNPOPYRSFFRK-UONOGXRCSA-N 2 0 281.444 1.470 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2ccnc2C)C1 ZINC001486129915 920734244 /nfs/dbraw/zinc/73/42/44/920734244.db2.gz RYVNYSUNXQEDNT-ZFWWWQNUSA-N 2 0 290.411 1.737 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491069280 936850581 /nfs/dbraw/zinc/85/05/81/936850581.db2.gz HDGVQJQLLMFJQT-SOUVJXGZSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001491232226 936881738 /nfs/dbraw/zinc/88/17/38/936881738.db2.gz WQILHRHIMIAETA-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001273744261 925149220 /nfs/dbraw/zinc/14/92/20/925149220.db2.gz VFTFLIOPOQFMKT-AWEZNQCLSA-N 2 0 277.412 1.075 10 30 CDEERP C=CCN1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001488662850 926654502 /nfs/dbraw/zinc/65/45/02/926654502.db2.gz MHMVEPPTPFEBJD-UONOGXRCSA-N 2 0 265.401 1.047 10 30 CDEERP [NH3+]CCCN(Cc1ccccc1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852878888 927903643 /nfs/dbraw/zinc/90/36/43/927903643.db2.gz RZPYODIVNNMFLJ-UHFFFAOYSA-N 2 0 299.418 1.367 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001568516140 1169342135 /nfs/dbraw/zinc/34/21/35/1169342135.db2.gz UCBODFGRVDBQLA-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001274297881 931489018 /nfs/dbraw/zinc/48/90/18/931489018.db2.gz KQPSQDSBBXYHIN-NFAHFFEMSA-N 2 0 279.428 1.556 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001319917175 931490973 /nfs/dbraw/zinc/49/09/73/931490973.db2.gz KJBQQQKUNXCXLZ-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)CN(C)Cc1ccccc1 ZINC001274631823 931526571 /nfs/dbraw/zinc/52/65/71/931526571.db2.gz MLNJNURDEWUXNQ-FPLPWBNLSA-N 2 0 285.391 1.014 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001274654886 931532394 /nfs/dbraw/zinc/53/23/94/931532394.db2.gz POOUWOSFZFTBKC-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001275268398 931719815 /nfs/dbraw/zinc/71/98/15/931719815.db2.gz JWKRHTMEPHCKHY-UHFFFAOYSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001275790907 932038351 /nfs/dbraw/zinc/03/83/51/932038351.db2.gz IHRPPWIPLCKWRH-HZPDHXFCSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC001122108355 937905908 /nfs/dbraw/zinc/90/59/08/937905908.db2.gz PCFDZUDVYQRCTB-AAEUAGOBSA-N 2 0 253.390 1.174 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001122494944 937936969 /nfs/dbraw/zinc/93/69/69/937936969.db2.gz MJVZDVLWYMPDMO-CHWSQXEVSA-N 2 0 253.390 1.176 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001276468463 939766433 /nfs/dbraw/zinc/76/64/33/939766433.db2.gz KDDPXXJBJCSCHK-GOEBONIOSA-N 2 0 293.455 1.729 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001277059958 941892370 /nfs/dbraw/zinc/89/23/70/941892370.db2.gz CCTAEECTIICJSQ-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001277385505 942467426 /nfs/dbraw/zinc/46/74/26/942467426.db2.gz PUFWWPHIQKAJQV-INIZCTEOSA-N 2 0 293.455 1.970 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001281682107 942609106 /nfs/dbraw/zinc/60/91/06/942609106.db2.gz HGMUHGXALVDWRA-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001282337107 942691747 /nfs/dbraw/zinc/69/17/47/942691747.db2.gz GZDKKLBLEGSHOQ-CYBMUJFWSA-N 2 0 267.417 1.034 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283556433 942931705 /nfs/dbraw/zinc/93/17/05/942931705.db2.gz LWRYHDLSKZHSFO-LSDHHAIUSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283611337 942946513 /nfs/dbraw/zinc/94/65/13/942946513.db2.gz AECOZKFVUPEMAG-RBSFLKMASA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC001284321996 943146636 /nfs/dbraw/zinc/14/66/36/943146636.db2.gz FCSKLHSEJLRLAW-LSDHHAIUSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001263842160 943998309 /nfs/dbraw/zinc/99/83/09/943998309.db2.gz IQRZAHPCYJRCLC-OKILXGFUSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001264399460 944126715 /nfs/dbraw/zinc/12/67/15/944126715.db2.gz BESNLSWWXKCWRE-XHSDSOJGSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001264432433 944135202 /nfs/dbraw/zinc/13/52/02/944135202.db2.gz VYFSFPUKKCNYKA-JYJNAYRXSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001265113460 944235984 /nfs/dbraw/zinc/23/59/84/944235984.db2.gz OCVQZYSUHCCWCH-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001265359171 944359378 /nfs/dbraw/zinc/35/93/78/944359378.db2.gz YSFBZQDVFFYVCH-LSDHHAIUSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265390395 944371428 /nfs/dbraw/zinc/37/14/28/944371428.db2.gz DQEIOIWXBWVAFG-LSDHHAIUSA-N 2 0 279.428 1.130 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001265632982 944451862 /nfs/dbraw/zinc/45/18/62/944451862.db2.gz LXUWKEHOISWSKH-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001265798772 944512614 /nfs/dbraw/zinc/51/26/14/944512614.db2.gz KKVBTSFXEKULHG-CYBMUJFWSA-N 2 0 299.378 1.551 10 30 CDEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265895016 944561803 /nfs/dbraw/zinc/56/18/03/944561803.db2.gz BWVJSBJNRILWSC-UONOGXRCSA-N 2 0 265.401 1.237 10 30 CDEERP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001266218767 944765532 /nfs/dbraw/zinc/76/55/32/944765532.db2.gz BAPMENMMKNNDFS-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001278313920 945852557 /nfs/dbraw/zinc/85/25/57/945852557.db2.gz ACMVOUIRJQGWFZ-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001278398614 947559066 /nfs/dbraw/zinc/55/90/66/947559066.db2.gz OCQWJPLNUXHBAV-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001480006967 971534020 /nfs/dbraw/zinc/53/40/20/971534020.db2.gz CVGZZQXIFUITNN-GJZGRUSLSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)CC1(C)C ZINC001278685015 951686433 /nfs/dbraw/zinc/68/64/33/951686433.db2.gz QDENRPRVPLQORE-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001480668202 971832345 /nfs/dbraw/zinc/83/23/45/971832345.db2.gz JTJLHKJQYDGKDH-HNNXBMFYSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001480720514 971848687 /nfs/dbraw/zinc/84/86/87/971848687.db2.gz COMGVXJXXUEFTJ-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCOCC1 ZINC001325025190 953688044 /nfs/dbraw/zinc/68/80/44/953688044.db2.gz FKFGXNCIXQUVMN-UHFFFAOYSA-N 2 0 297.443 1.159 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001326437553 954383371 /nfs/dbraw/zinc/38/33/71/954383371.db2.gz MTSAKLFGXFIINQ-INIZCTEOSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCC1 ZINC001326924774 954622362 /nfs/dbraw/zinc/62/23/62/954622362.db2.gz MCLDESWLEODDFW-INIZCTEOSA-N 2 0 291.439 1.677 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001326928853 954622819 /nfs/dbraw/zinc/62/28/19/954622819.db2.gz QMISHNSVEFNXFB-AWEZNQCLSA-N 2 0 279.428 1.533 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001328281650 955249902 /nfs/dbraw/zinc/24/99/02/955249902.db2.gz DONPZPIAYJZOPC-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001328460028 955300931 /nfs/dbraw/zinc/30/09/31/955300931.db2.gz VTOGNZAUVODXBO-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001491618078 955318188 /nfs/dbraw/zinc/31/81/88/955318188.db2.gz NSTLCCLEZVWBLQ-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001491683757 955356775 /nfs/dbraw/zinc/35/67/75/955356775.db2.gz SWEHPLGPJIMOLC-CQSZACIVSA-N 2 0 267.417 1.533 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001493653068 972092069 /nfs/dbraw/zinc/09/20/69/972092069.db2.gz FAFLNBUTODWLRE-UHFFFAOYSA-N 2 0 287.835 1.661 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001493653496 972094376 /nfs/dbraw/zinc/09/43/76/972094376.db2.gz JHGCWOAPDCTCNF-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]C1CCC(N(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001329256158 955779682 /nfs/dbraw/zinc/77/96/82/955779682.db2.gz XHZBMYXIHLEBAZ-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001492376466 955840956 /nfs/dbraw/zinc/84/09/56/955840956.db2.gz YEBYIPCSNAGZAK-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001329741376 956091943 /nfs/dbraw/zinc/09/19/43/956091943.db2.gz HXNMJBJCEZDHAN-HUUCEWRRSA-N 2 0 281.444 1.423 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001329860435 956144692 /nfs/dbraw/zinc/14/46/92/956144692.db2.gz GBWQPWDSXBRBHO-UHFFFAOYSA-N 2 0 279.428 1.677 10 30 CDEERP C=CC[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001494029531 972164338 /nfs/dbraw/zinc/16/43/38/972164338.db2.gz PKOWFYLNWUNSIC-HNNXBMFYSA-N 2 0 291.439 1.629 10 30 CDEERP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001316739207 956296019 /nfs/dbraw/zinc/29/60/19/956296019.db2.gz NSNKLXQADGMSBP-ZNMIVQPWSA-N 2 0 279.428 1.319 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494181131 972194652 /nfs/dbraw/zinc/19/46/52/972194652.db2.gz QEIUWYGZUCSJPH-GJZGRUSLSA-N 2 0 279.428 1.295 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001331212186 956890229 /nfs/dbraw/zinc/89/02/29/956890229.db2.gz RXOXBNPOFJCJHA-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001317025808 956928742 /nfs/dbraw/zinc/92/87/42/956928742.db2.gz UQJWQXCBMPGWFJ-MRXNPFEDSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[N@@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001316870083 957080133 /nfs/dbraw/zinc/08/01/33/957080133.db2.gz MASWKVXBUYYBAY-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001317083916 957259259 /nfs/dbraw/zinc/25/92/59/957259259.db2.gz UHLYZGKTBBPCOR-HDJSIYSDSA-N 2 0 279.428 1.674 10 30 CDEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317381191 957442589 /nfs/dbraw/zinc/44/25/89/957442589.db2.gz LLSFCQWPBXOQCH-OAHLLOKOSA-N 2 0 291.439 1.581 10 30 CDEERP C=CC[N@@H+](C)CCN(C(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001332722089 957690347 /nfs/dbraw/zinc/69/03/47/957690347.db2.gz FETCESPRGXUYSP-HNNXBMFYSA-N 2 0 281.444 1.826 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001318428587 958100045 /nfs/dbraw/zinc/10/00/45/958100045.db2.gz KMUXWTLUCNNUOO-CVEARBPZSA-N 2 0 293.455 1.663 10 30 CDEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001318590457 958186128 /nfs/dbraw/zinc/18/61/28/958186128.db2.gz GEOWYLNXVVIAFS-HNNXBMFYSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001319244339 958452955 /nfs/dbraw/zinc/45/29/55/958452955.db2.gz IHTNKMIMTFBCIR-OLZOCXBDSA-N 2 0 255.406 1.245 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001569304897 1169755061 /nfs/dbraw/zinc/75/50/61/1169755061.db2.gz UYSTVVKDUAUPPM-ARFHVFGLSA-N 2 0 293.455 1.777 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCCC1 ZINC001319656149 958675195 /nfs/dbraw/zinc/67/51/95/958675195.db2.gz NALDASCESAWHPV-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001319789714 958724976 /nfs/dbraw/zinc/72/49/76/958724976.db2.gz AVNYTNGVZWAFLJ-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001319819548 958739977 /nfs/dbraw/zinc/73/99/77/958739977.db2.gz UNGPMGQOKXRTLI-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001495009941 972373084 /nfs/dbraw/zinc/37/30/84/972373084.db2.gz AHDGFIYIEZHGPF-CQSZACIVSA-N 2 0 298.390 1.764 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)C(C)C ZINC001319967010 958823527 /nfs/dbraw/zinc/82/35/27/958823527.db2.gz BOEWWYCTCHPPDS-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001320737312 959360408 /nfs/dbraw/zinc/36/04/08/959360408.db2.gz LMYGNYLTLVWAPG-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001322516110 960248428 /nfs/dbraw/zinc/24/84/28/960248428.db2.gz AVGKWFDIHJOFDG-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1CC ZINC001323165423 960490895 /nfs/dbraw/zinc/49/08/95/960490895.db2.gz ZPDPELUHCNVKOB-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001324334447 961311579 /nfs/dbraw/zinc/31/15/79/961311579.db2.gz KUIKEIPDNADUJS-AWEZNQCLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2C[C@@H]([NH3+])C23CCC3)CCC[NH2+]1 ZINC001341555590 963461643 /nfs/dbraw/zinc/46/16/43/963461643.db2.gz WADMAJDVZQYWOA-TYNCELHUSA-N 2 0 263.385 1.071 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001569382973 1169833232 /nfs/dbraw/zinc/83/32/32/1169833232.db2.gz IGACQGLLAHJMPZ-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001540797937 967173516 /nfs/dbraw/zinc/17/35/16/967173516.db2.gz KLUYSOOZTVTAHZ-OCCSQVGLSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001495667190 972585027 /nfs/dbraw/zinc/58/50/27/972585027.db2.gz PIAQWECTYXQAMY-DZGCQCFKSA-N 2 0 279.428 1.246 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001496361019 972897430 /nfs/dbraw/zinc/89/74/30/972897430.db2.gz UVWFRXAMSXTODD-GJZGRUSLSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001496364753 972900345 /nfs/dbraw/zinc/90/03/45/972900345.db2.gz UGEAXCPGTLBDFQ-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001496453140 972928322 /nfs/dbraw/zinc/92/83/22/972928322.db2.gz XPLOZKYFEHSUFA-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001496846093 973121504 /nfs/dbraw/zinc/12/15/04/973121504.db2.gz ZPDROGJFUDTPLX-MRXNPFEDSA-N 2 0 293.455 1.520 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001497329516 973287787 /nfs/dbraw/zinc/28/77/87/973287787.db2.gz CAADNWKEGTVHME-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001374096339 973774919 /nfs/dbraw/zinc/77/49/19/973774919.db2.gz GGYIKJOPDRUEKJ-LLVKDONJSA-N 2 0 285.819 1.177 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001499909533 974332254 /nfs/dbraw/zinc/33/22/54/974332254.db2.gz WSWRYDZGVZFRLZ-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001500249323 974408614 /nfs/dbraw/zinc/40/86/14/974408614.db2.gz ROVBVTIFCSXYBB-GDBMZVCRSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001505410622 974864245 /nfs/dbraw/zinc/86/42/45/974864245.db2.gz IORBSYUFVIHYMR-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001505497676 974895916 /nfs/dbraw/zinc/89/59/16/974895916.db2.gz MIFMVDJZCOECIT-GPANFISMSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001377833597 975151065 /nfs/dbraw/zinc/15/10/65/975151065.db2.gz YBFHWUVLJWKNQJ-VXGBXAGGSA-N 2 0 287.835 1.706 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001506903601 975253895 /nfs/dbraw/zinc/25/38/95/975253895.db2.gz PIFVAAUKXBGHLS-KKUMJFAQSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001507385579 975443029 /nfs/dbraw/zinc/44/30/29/975443029.db2.gz SDZYHCRNROHHNF-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001382151049 977167129 /nfs/dbraw/zinc/16/71/29/977167129.db2.gz JZIDBFKXSDQFAK-GFCCVEGCSA-N 2 0 285.819 1.271 10 30 CDEERP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001674157005 1173920463 /nfs/dbraw/zinc/92/04/63/1173920463.db2.gz YQEFRQYHJLXYAF-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001570563801 1170191047 /nfs/dbraw/zinc/19/10/47/1170191047.db2.gz DQNCWPJMXLNIQQ-UHFFFAOYSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001570753350 1170270878 /nfs/dbraw/zinc/27/08/78/1170270878.db2.gz HQUZMKFUJWMFPG-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001656109893 1171769576 /nfs/dbraw/zinc/76/95/76/1171769576.db2.gz UCCFYENYCFDIHL-CQSZACIVSA-N 2 0 265.401 1.191 10 30 CDEERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)[C@@H]2CCC[C@@H]21 ZINC000586789961 342469126 /nfs/dbraw/zinc/46/91/26/342469126.db2.gz VBQGLNXOPZSLQC-JYJNAYRXSA-N 2 0 276.428 1.437 10 30 CDEERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437769 342906114 /nfs/dbraw/zinc/90/61/14/342906114.db2.gz PFICNWILOPWIGX-RBSFLKMASA-N 2 0 292.427 1.340 10 30 CDEERP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595936584 343201956 /nfs/dbraw/zinc/20/19/56/343201956.db2.gz OHHLCDXCJAFNLE-HUUCEWRRSA-N 2 0 292.427 1.246 10 30 CDEERP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000600768888 349878685 /nfs/dbraw/zinc/87/86/85/349878685.db2.gz HOSVVIAPLNOAJY-WOSRLPQWSA-N 2 0 289.379 1.870 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCC[NH2+]1 ZINC000634765511 358498366 /nfs/dbraw/zinc/49/83/66/358498366.db2.gz VAXXRDWUCCDWPJ-CZUORRHYSA-N 2 0 279.428 1.579 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001661034556 1172326386 /nfs/dbraw/zinc/32/63/86/1172326386.db2.gz IKQFEPNLPPYWMK-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCC[C@@H](O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000305067426 370839296 /nfs/dbraw/zinc/83/92/96/370839296.db2.gz IFYXMUMBLUOFFI-DLBZAZTESA-N 2 0 295.471 1.415 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001663431056 1172694686 /nfs/dbraw/zinc/69/46/86/1172694686.db2.gz NLYNIAHUUAWMHS-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001663461622 1172697951 /nfs/dbraw/zinc/69/79/51/1172697951.db2.gz NYRJGFGSKILFPH-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001665301417 1172978184 /nfs/dbraw/zinc/97/81/84/1172978184.db2.gz YBLGDXGSYXDGBA-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCC[NH2+]1 ZINC000662766157 413463807 /nfs/dbraw/zinc/46/38/07/413463807.db2.gz ZFCOJUNTLUNFLG-GJZGRUSLSA-N 2 0 265.401 1.191 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001665676835 1173035028 /nfs/dbraw/zinc/03/50/28/1173035028.db2.gz OJIWWQFJZDAGLP-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CC[C@]1(C(=O)NCc2ccc(C[NH3+])cc2F)CCC[NH2+]1 ZINC000662829927 413560196 /nfs/dbraw/zinc/56/01/96/413560196.db2.gz PRQVBJHPEMSYIM-MRXNPFEDSA-N 2 0 291.370 1.599 10 30 CDEERP C=CC[C@@]1(C(=O)NCc2ccccc2C[NH2+]C)CCC[NH2+]1 ZINC000662830831 413563389 /nfs/dbraw/zinc/56/33/89/413563389.db2.gz VRPDQBRNEBLVQZ-KRWDZBQOSA-N 2 0 287.407 1.721 10 30 CDEERP CC[NH+]1CCN(Cc2sccc2C#CC[NH3+])CC1 ZINC000043683562 175091727 /nfs/dbraw/zinc/09/17/27/175091727.db2.gz GJQZWVSTJCYUAO-UHFFFAOYSA-N 2 0 263.410 1.196 10 30 CDEERP CC[N@H+](Cc1ccc(C#CC[NH3+])s1)[C@H](C)COC ZINC000043684256 175092837 /nfs/dbraw/zinc/09/28/37/175092837.db2.gz KNYKWDVOXMEKNU-GFCCVEGCSA-N 2 0 266.410 1.915 10 30 CDEERP CC[NH+]1CCC(N(C)Cc2sccc2C#CC[NH3+])CC1 ZINC000043684240 175093215 /nfs/dbraw/zinc/09/32/15/175093215.db2.gz XAUMICCOVFUDKY-UHFFFAOYSA-N 2 0 291.464 1.974 10 30 CDEERP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689075 175095810 /nfs/dbraw/zinc/09/58/10/175095810.db2.gz UNZHJZPKDCALFK-YPMHNXCESA-N 2 0 291.420 1.144 10 30 CDEERP C=CCC[NH+]1CC2(C1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001666834829 1173189413 /nfs/dbraw/zinc/18/94/13/1173189413.db2.gz QAQCYEACADBRDM-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662291936 423917833 /nfs/dbraw/zinc/91/78/33/423917833.db2.gz ATGPHWHNLGPFKI-HZPDHXFCSA-N 2 0 291.439 1.485 10 30 CDEERP C[C@@H]1CCOCC[N@H+]1CC#CCN1CCOCC[C@@H]1C ZINC000367457040 266290835 /nfs/dbraw/zinc/29/08/35/266290835.db2.gz DVSNIXWSNDNBAF-IYBDPMFKSA-N 2 0 280.412 1.211 10 30 CDEERP C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001668326753 1173396959 /nfs/dbraw/zinc/39/69/59/1173396959.db2.gz VJRDUYODHLHXIG-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001669812303 1173613136 /nfs/dbraw/zinc/61/31/36/1173613136.db2.gz XSRCFAHLVVTABZ-UKRRQHHQSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001672335184 1173767096 /nfs/dbraw/zinc/76/70/96/1173767096.db2.gz VLJFXNSXVKVELM-LSDHHAIUSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)CNC(=[NH2+])NCc1cccnc1-n1ccnc1 ZINC000170912462 329072318 /nfs/dbraw/zinc/07/23/18/329072318.db2.gz NSNVLMZOWFFXGH-UHFFFAOYSA-N 2 0 270.340 1.248 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001690785697 1175571839 /nfs/dbraw/zinc/57/18/39/1175571839.db2.gz XMNKGRHLOZDKDX-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C[C@@H]1CN(C(=[NH2+])NCC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC000262457767 330014528 /nfs/dbraw/zinc/01/45/28/330014528.db2.gz LOQKCSNLMSRMMK-CYBMUJFWSA-N 2 0 282.432 1.144 10 30 CDEERP CC[NH+](CC)C[C@@H]1CCN(C(NC2CCC2)=[NH+]C)C1 ZINC000262775489 330030784 /nfs/dbraw/zinc/03/07/84/330030784.db2.gz JENQPENZBWKWKO-ZDUSSCGKSA-N 2 0 266.433 1.778 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001691441694 1159221119 /nfs/dbraw/zinc/22/11/19/1159221119.db2.gz UGWHNWNQAZXVPD-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCOc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000344548484 335255408 /nfs/dbraw/zinc/25/54/08/335255408.db2.gz JZEQKOBJROWUEH-UHFFFAOYSA-N 2 0 290.407 1.798 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001698831833 1175954595 /nfs/dbraw/zinc/95/45/95/1175954595.db2.gz IKLAXPAXUYTPDK-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001691481037 1159374959 /nfs/dbraw/zinc/37/49/59/1159374959.db2.gz DRIDTGVZGSWBBZ-IYBDPMFKSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001699440886 1159643194 /nfs/dbraw/zinc/64/31/94/1159643194.db2.gz HSOFFROPCRWHFY-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001268016152 1159649124 /nfs/dbraw/zinc/64/91/24/1159649124.db2.gz ZRTXNXVDLXFRJJ-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001268743392 1160010995 /nfs/dbraw/zinc/01/09/95/1160010995.db2.gz RCFKPCJVXPXNCF-KKUMJFAQSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001670940983 1161393652 /nfs/dbraw/zinc/39/36/52/1161393652.db2.gz YWGGVQREDVZKCX-MQVJKMGUSA-N 2 0 291.439 1.463 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001691685991 1161560683 /nfs/dbraw/zinc/56/06/83/1161560683.db2.gz DWIJBQQLADQNQX-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP COC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049609577 522218079 /nfs/dbraw/zinc/21/80/79/522218079.db2.gz GSEYIMPFCLBRNB-CYBMUJFWSA-N 2 0 276.380 1.472 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001725597238 1182069060 /nfs/dbraw/zinc/06/90/60/1182069060.db2.gz RYDQYOYPKNAUPE-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP CCC[NH+]1CCN(Cc2ccc(C#CC[NH3+])cc2)CC1 ZINC000049608702 519858805 /nfs/dbraw/zinc/85/88/05/519858805.db2.gz OJPDHTBXKQGASW-UHFFFAOYSA-N 2 0 271.408 1.524 10 30 CDEERP COC1CC[NH+](Cc2ccc(C#CC[NH3+])cc2)CC1 ZINC000049609081 522705167 /nfs/dbraw/zinc/70/51/67/522705167.db2.gz MTGDCYUUWYAMLZ-UHFFFAOYSA-N 2 0 258.365 1.608 10 30 CDEERP C[N@H+](Cc1ccc(F)c(C#CC[NH3+])c1)C1CCOCC1 ZINC000049609344 523240480 /nfs/dbraw/zinc/24/04/80/523240480.db2.gz FSIYXHPKDKTTPT-UHFFFAOYSA-N 2 0 276.355 1.747 10 30 CDEERP C[N@@H+]1CCCN(Cc2ccc(C#CC[NH3+])cc2)CC1 ZINC000049608757 523810856 /nfs/dbraw/zinc/81/08/56/523810856.db2.gz ADBPOXLINCVFKJ-UHFFFAOYSA-N 2 0 257.381 1.134 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000049609764 527148053 /nfs/dbraw/zinc/14/80/53/527148053.db2.gz NGKWZRPHFUMGEY-CQSZACIVSA-N 2 0 262.328 1.093 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCC[C@H]2CCCO)cc1 ZINC000052763112 527148441 /nfs/dbraw/zinc/14/84/41/527148441.db2.gz YPZXZOSYVGSBKV-KRWDZBQOSA-N 2 0 272.392 1.734 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001689346084 1175148027 /nfs/dbraw/zinc/14/80/27/1175148027.db2.gz WCOXEOVWYDOWGS-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001690172121 1175394062 /nfs/dbraw/zinc/39/40/62/1175394062.db2.gz YFKUJCSJSOJQFO-HNNXBMFYSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001690183505 1175397457 /nfs/dbraw/zinc/39/74/57/1175397457.db2.gz ANVYOBHQNXWYLL-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941157718 613781518 /nfs/dbraw/zinc/78/15/18/613781518.db2.gz FSCZWXIKVJGPHX-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000925769884 617628468 /nfs/dbraw/zinc/62/84/68/617628468.db2.gz GQSCAWBWIJLXRG-OCCSQVGLSA-N 2 0 263.385 1.826 10 30 CDEERP COCCCN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000794543477 619376796 /nfs/dbraw/zinc/37/67/96/619376796.db2.gz GDJAIWDIUYHQTN-UHFFFAOYSA-N 2 0 290.411 1.398 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000900205092 622802008 /nfs/dbraw/zinc/80/20/08/622802008.db2.gz QPDJELHJBJJESN-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000900352684 622901198 /nfs/dbraw/zinc/90/11/98/622901198.db2.gz IAASODYPALUVQD-IIAWOOMASA-N 2 0 295.471 1.977 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000901027634 623820043 /nfs/dbraw/zinc/82/00/43/623820043.db2.gz WPPHKEBHQUIMPV-TZMCWYRMSA-N 2 0 265.401 1.093 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000901200724 623987597 /nfs/dbraw/zinc/98/75/97/623987597.db2.gz QGBINZQTARWRPY-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP N#Cc1ccc(N2CC[NH+](C[C@H]3CC[C@@H]([NH3+])C3)CC2)cn1 ZINC000903478673 626005556 /nfs/dbraw/zinc/00/55/56/626005556.db2.gz KZEHFQGSWSSNJS-UONOGXRCSA-N 2 0 285.395 1.203 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000912027822 629722947 /nfs/dbraw/zinc/72/29/47/629722947.db2.gz VSQNNCOTEQSRDT-CQSZACIVSA-N 2 0 281.444 1.683 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001691150620 1158936196 /nfs/dbraw/zinc/93/61/96/1158936196.db2.gz RTKKTEIJZCUIIK-JYJNAYRXSA-N 2 0 291.439 1.369 10 30 CDEERP C=CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266896392 1158966936 /nfs/dbraw/zinc/96/69/36/1158966936.db2.gz AMHCLFTVWLTXQG-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691322174 1159015603 /nfs/dbraw/zinc/01/56/03/1159015603.db2.gz YYRJCGPPXDLYOF-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266766689 1158813326 /nfs/dbraw/zinc/81/33/26/1158813326.db2.gz IPZKEMAKGAZLSG-HZPDHXFCSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001691765483 1160113297 /nfs/dbraw/zinc/11/32/97/1160113297.db2.gz RQWWKBTWKCQPGZ-KGLIPLIRSA-N 2 0 267.417 1.482 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001272344315 1161079806 /nfs/dbraw/zinc/07/98/06/1161079806.db2.gz SRBTZBRGKKRXQW-HOTGVXAUSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001670904169 1161348473 /nfs/dbraw/zinc/34/84/73/1161348473.db2.gz YRCGCSNZQSDILF-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001565856648 1168187990 /nfs/dbraw/zinc/18/79/90/1168187990.db2.gz PTTVKQRSVBOGRH-OAGGEKHMSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001566812934 1168432077 /nfs/dbraw/zinc/43/20/77/1168432077.db2.gz IWVKVUGSFDVNLM-SHTZXODSSA-N 2 0 279.428 1.675 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001567147063 1168596139 /nfs/dbraw/zinc/59/61/39/1168596139.db2.gz LCDGZJWLHSTOIR-OAHLLOKOSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001568179599 1169164690 /nfs/dbraw/zinc/16/46/90/1169164690.db2.gz XSZFVORTYJMQOH-GFCCVEGCSA-N 2 0 284.363 1.231 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001569577327 1169929136 /nfs/dbraw/zinc/92/91/36/1169929136.db2.gz NOSAWURLRAITPP-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001662426497 1172547936 /nfs/dbraw/zinc/54/79/36/1172547936.db2.gz YIDMFAAICKMGNR-OAHLLOKOSA-N 2 0 281.444 1.923 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001662651285 1172576907 /nfs/dbraw/zinc/57/69/07/1172576907.db2.gz WXFGRJZCGWVJAR-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001663119532 1172637715 /nfs/dbraw/zinc/63/77/15/1172637715.db2.gz KECFVGNNPHJUQV-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001670237749 1173665320 /nfs/dbraw/zinc/66/53/20/1173665320.db2.gz WKUUDJSARSVEJK-CYBMUJFWSA-N 2 0 255.406 1.197 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001674953308 1174043101 /nfs/dbraw/zinc/04/31/01/1174043101.db2.gz HFCICGYVJOYTRL-ZDUSSCGKSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001676250314 1174196268 /nfs/dbraw/zinc/19/62/68/1174196268.db2.gz WOJRLQJNTIBLTH-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001689267066 1175132718 /nfs/dbraw/zinc/13/27/18/1175132718.db2.gz DEJQVYIWXFELAP-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001690291784 1175427427 /nfs/dbraw/zinc/42/74/27/1175427427.db2.gz AFEAAVZDUHFEQY-KLHDSHLOSA-N 2 0 291.439 1.816 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCC=C)CC1 ZINC001690650069 1175537129 /nfs/dbraw/zinc/53/71/29/1175537129.db2.gz DRPNCSUKAXHJFP-AWEZNQCLSA-N 2 0 277.412 1.002 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001690708588 1175553194 /nfs/dbraw/zinc/55/31/94/1175553194.db2.gz UMJNNCHYTNEWGM-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001692080559 1175672393 /nfs/dbraw/zinc/67/23/93/1175672393.db2.gz IAQUEYLMCPJOMT-CVEARBPZSA-N 2 0 291.439 1.132 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001692162386 1175686170 /nfs/dbraw/zinc/68/61/70/1175686170.db2.gz SMSGHTLUFUCBAO-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CC[NH2+][C@@H](CC)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001698611955 1175870795 /nfs/dbraw/zinc/87/07/95/1175870795.db2.gz AUWQYNGHQZKCJP-ZDUSSCGKSA-N 2 0 269.433 1.635 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001698844743 1175960731 /nfs/dbraw/zinc/96/07/31/1175960731.db2.gz FBJKRUKKELWCOG-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001698883007 1175975917 /nfs/dbraw/zinc/97/59/17/1175975917.db2.gz NZAREBOBDVYPPM-OAHLLOKOSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001698914741 1175983979 /nfs/dbraw/zinc/98/39/79/1175983979.db2.gz QHWTTZCFTKXJBB-OWCLPIDISA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]21 ZINC001699013895 1176040804 /nfs/dbraw/zinc/04/08/04/1176040804.db2.gz AYANYOYMRGCRFR-GJZGRUSLSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001699145800 1176111934 /nfs/dbraw/zinc/11/19/34/1176111934.db2.gz CFTUWEPBHXISRZ-LBPRGKRZSA-N 2 0 285.819 1.319 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001699404615 1176370208 /nfs/dbraw/zinc/37/02/08/1176370208.db2.gz GXIPHHKIPIDNPV-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001699450912 1176415053 /nfs/dbraw/zinc/41/50/53/1176415053.db2.gz NLHDZXCCDGUWRI-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001699666066 1176559270 /nfs/dbraw/zinc/55/92/70/1176559270.db2.gz OTPBLIRSPGWIPX-LSDHHAIUSA-N 2 0 289.423 1.265 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001700319497 1176849604 /nfs/dbraw/zinc/84/96/04/1176849604.db2.gz AUVLPFFNQUNAGO-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001700517236 1176991342 /nfs/dbraw/zinc/99/13/42/1176991342.db2.gz KMXUUVAYFXGUCZ-HOTGVXAUSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001700753554 1177115309 /nfs/dbraw/zinc/11/53/09/1177115309.db2.gz XZQSASGUSZPERG-UKRRQHHQSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001700779933 1177129871 /nfs/dbraw/zinc/12/98/71/1177129871.db2.gz FQTZEIHMAYDHGN-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)C[NH+](C)CC(C)(C)C)C(C)C ZINC001700974107 1177217742 /nfs/dbraw/zinc/21/77/42/1177217742.db2.gz WDNWUXAJDWADDO-UHFFFAOYSA-N 2 0 295.471 1.766 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC1CCC1 ZINC001707383861 1178005384 /nfs/dbraw/zinc/00/53/84/1178005384.db2.gz XYTFACHVBVPUMN-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001713134542 1178388487 /nfs/dbraw/zinc/38/84/87/1178388487.db2.gz PECSFTFOQRNQPY-HZPDHXFCSA-N 2 0 293.455 1.685 10 30 CDEERP C#CC[N@H+]1CCC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001713220758 1178437789 /nfs/dbraw/zinc/43/77/89/1178437789.db2.gz SDTKWYOXXUYYET-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)CC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713485287 1178600731 /nfs/dbraw/zinc/60/07/31/1178600731.db2.gz OCOMRWCTRJDTSJ-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001713753115 1178737928 /nfs/dbraw/zinc/73/79/28/1178737928.db2.gz CUZJRRJVJMDWQC-OAHLLOKOSA-N 2 0 291.439 1.581 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001713759718 1178742020 /nfs/dbraw/zinc/74/20/20/1178742020.db2.gz PMPPHGCACHTIQL-INIZCTEOSA-N 2 0 293.455 1.522 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001713839423 1178787242 /nfs/dbraw/zinc/78/72/42/1178787242.db2.gz ZDFSMOIQSVCKTI-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714454638 1179146403 /nfs/dbraw/zinc/14/64/03/1179146403.db2.gz QNEISQBKADHDJD-HNNXBMFYSA-N 2 0 277.412 1.028 10 30 CDEERP C=C(C)CC[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001714561593 1179216841 /nfs/dbraw/zinc/21/68/41/1179216841.db2.gz TXIRUCJAYKJZNX-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCCC[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001714617402 1179272901 /nfs/dbraw/zinc/27/29/01/1179272901.db2.gz HNSSETZXKSKKKC-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001714904527 1179446957 /nfs/dbraw/zinc/44/69/57/1179446957.db2.gz SVALWAIQPFBPPT-OAHLLOKOSA-N 2 0 281.444 1.685 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001715112927 1179555531 /nfs/dbraw/zinc/55/55/31/1179555531.db2.gz STJOURISXSBVJE-XNRPHZJLSA-N 2 0 279.428 1.387 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001715358747 1179641583 /nfs/dbraw/zinc/64/15/83/1179641583.db2.gz GWNJCUJHOPRLHA-AWEZNQCLSA-N 2 0 281.444 1.424 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CCCCC1 ZINC001715404388 1179658751 /nfs/dbraw/zinc/65/87/51/1179658751.db2.gz KDMXQAIMOPXDJP-MRXNPFEDSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001715520700 1179698329 /nfs/dbraw/zinc/69/83/29/1179698329.db2.gz BHSWBLVXOGWWLO-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001715681837 1179763417 /nfs/dbraw/zinc/76/34/17/1179763417.db2.gz BSCRGHYIMUXDID-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001715766878 1179796128 /nfs/dbraw/zinc/79/61/28/1179796128.db2.gz JIRMAKAOYTVJEM-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001715825985 1179851677 /nfs/dbraw/zinc/85/16/77/1179851677.db2.gz IBIBWDPZYUXIRF-ISZGNANSSA-N 2 0 265.401 1.309 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001717076352 1180524096 /nfs/dbraw/zinc/52/40/96/1180524096.db2.gz GCWFDFBCPIMYCZ-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001717109408 1180532858 /nfs/dbraw/zinc/53/28/58/1180532858.db2.gz CVDSORURQHTIPE-KBPBESRZSA-N 2 0 299.846 1.519 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001717338642 1180622693 /nfs/dbraw/zinc/62/26/93/1180622693.db2.gz XTHAHRYXZVJFBN-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[N@@H+](C)CCN(C(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001717952590 1180942687 /nfs/dbraw/zinc/94/26/87/1180942687.db2.gz ZQXNHGLRNRNIDN-OAHLLOKOSA-N 2 0 279.428 1.130 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001724564031 1181694879 /nfs/dbraw/zinc/69/48/79/1181694879.db2.gz PTNVYFPJQLDYCW-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001725371915 1181978612 /nfs/dbraw/zinc/97/86/12/1181978612.db2.gz JNCFFDLPGXYJGX-KKUMJFAQSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001725612800 1182071629 /nfs/dbraw/zinc/07/16/29/1182071629.db2.gz AJFNVLSELDFJNL-HRCADAONSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001725637114 1182081085 /nfs/dbraw/zinc/08/10/85/1182081085.db2.gz QVXGDLPOLDHZCU-GJZGRUSLSA-N 2 0 289.423 1.123 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001731450385 1182394866 /nfs/dbraw/zinc/39/48/66/1182394866.db2.gz HWJKNAAOBODEIY-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001731481141 1182412299 /nfs/dbraw/zinc/41/22/99/1182412299.db2.gz ZHAOHYIWIQYQTM-XJFOESAGSA-N 2 0 288.395 1.716 10 30 CDEERP C#CCC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001731561147 1182448763 /nfs/dbraw/zinc/44/87/63/1182448763.db2.gz ZHTSMEKRQLSERB-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001732232963 1182874391 /nfs/dbraw/zinc/87/43/91/1182874391.db2.gz JSVJHJRFHRVOSM-UHFFFAOYSA-N 2 0 281.444 1.923 10 30 CDEERP C#CCC[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001732255871 1182885057 /nfs/dbraw/zinc/88/50/57/1182885057.db2.gz GEDNZRYHRVHUFR-RDJZCZTQSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CCC)CC1 ZINC001732600663 1183041373 /nfs/dbraw/zinc/04/13/73/1183041373.db2.gz TXWBKNSPKBNWJS-UHFFFAOYSA-N 2 0 279.428 1.132 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732907587 1183179606 /nfs/dbraw/zinc/17/96/06/1183179606.db2.gz BLWWHNIKKVGWCE-LQYUOIDQSA-N 2 0 277.412 1.146 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001733106314 1183292302 /nfs/dbraw/zinc/29/23/02/1183292302.db2.gz DRHBBFHMQFVKTJ-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001733605144 1183478399 /nfs/dbraw/zinc/47/83/99/1183478399.db2.gz ZXJBMNXFOFTJBW-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001733767194 1183525664 /nfs/dbraw/zinc/52/56/64/1183525664.db2.gz RWWOCUMXJGDLJJ-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001733902245 1183563032 /nfs/dbraw/zinc/56/30/32/1183563032.db2.gz UOZPFWAHAORCFK-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001733938349 1183575188 /nfs/dbraw/zinc/57/51/88/1183575188.db2.gz OTJVMZISUUTJSC-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733998617 1183608421 /nfs/dbraw/zinc/60/84/21/1183608421.db2.gz ZUZZXDYZNYZDQY-KBPBESRZSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001734044034 1183632360 /nfs/dbraw/zinc/63/23/60/1183632360.db2.gz LSVXENJKSIECJK-AWEZNQCLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001734047837 1183634430 /nfs/dbraw/zinc/63/44/30/1183634430.db2.gz GQDVZRKWCBSEEW-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001734098546 1183657176 /nfs/dbraw/zinc/65/71/76/1183657176.db2.gz YIMXXGIBIRVUSW-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001734260338 1183706674 /nfs/dbraw/zinc/70/66/74/1183706674.db2.gz KBOOGWCGIBMZMU-CYBMUJFWSA-N 2 0 299.846 1.709 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001734432614 1183777694 /nfs/dbraw/zinc/77/76/94/1183777694.db2.gz NUQYRHFGPDEMOL-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001734451846 1183782386 /nfs/dbraw/zinc/78/23/86/1183782386.db2.gz ZFSRTJFRIWJWBE-BZUAXINKSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001750927857 1184782186 /nfs/dbraw/zinc/78/21/86/1184782186.db2.gz BZPMZRJAYYFIQL-HNNXBMFYSA-N 2 0 277.412 1.028 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC1CC[NH+](CC)CC1 ZINC000876762153 1165911198 /nfs/dbraw/zinc/91/11/98/1165911198.db2.gz AGNJUTGBUPKPMB-CYBMUJFWSA-N 2 0 287.835 1.695 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000876913281 819427438 /nfs/dbraw/zinc/42/74/38/819427438.db2.gz PRBIXFLNPISDBX-QWRGUYRKSA-N 2 0 259.781 1.090 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871360492 820393261 /nfs/dbraw/zinc/39/32/61/820393261.db2.gz SHGHISXHWYFRAU-UHFFFAOYSA-N 2 0 267.417 1.483 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000852866462 821199361 /nfs/dbraw/zinc/19/93/61/821199361.db2.gz HQQBCUYNLFVULF-UHFFFAOYSA-N 2 0 295.346 1.209 10 30 CDEERP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C)CC1 ZINC000878886071 821830861 /nfs/dbraw/zinc/83/08/61/821830861.db2.gz ZLDCIJHRJQVFCI-ZBFHGGJFSA-N 2 0 293.455 1.921 10 30 CDEERP CCOCCCNC(=[NH2+])NCC[N@@H+]1CCCC[C@H]1C ZINC000303887028 821841932 /nfs/dbraw/zinc/84/19/32/821841932.db2.gz KRRAPPUJWSGXDS-CYBMUJFWSA-N 2 0 270.421 1.192 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569118048 1167553596 /nfs/dbraw/zinc/55/35/96/1167553596.db2.gz NEKYWBKXIQHOTB-RBSFLKMASA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001566567000 1168340461 /nfs/dbraw/zinc/34/04/61/1168340461.db2.gz SLSBHCKSIUWSPP-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567054333 1168536804 /nfs/dbraw/zinc/53/68/04/1168536804.db2.gz PSQVLJJGCPWOIP-XJKSGUPXSA-N 2 0 299.434 1.869 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001266693461 895845784 /nfs/dbraw/zinc/84/57/84/895845784.db2.gz ZZAVKVHSICTANJ-QKPAOTATSA-N 2 0 289.423 1.263 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266816485 896113185 /nfs/dbraw/zinc/11/31/85/896113185.db2.gz DJAZPEPCVNEBJI-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+]CCc1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001267098720 896773990 /nfs/dbraw/zinc/77/39/90/896773990.db2.gz VMMKXSICBVRGIY-UHFFFAOYSA-N 2 0 299.418 1.164 10 30 CDEERP C#CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001267198912 897125999 /nfs/dbraw/zinc/12/59/99/897125999.db2.gz CZQPNGNSGPNQJF-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001267201064 897130419 /nfs/dbraw/zinc/13/04/19/897130419.db2.gz JSEMTMHFJTZUMB-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C(C)C ZINC001267257867 897361889 /nfs/dbraw/zinc/36/18/89/897361889.db2.gz YRJDPVXKUZTUFO-INIZCTEOSA-N 2 0 293.455 1.709 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001272617524 914186120 /nfs/dbraw/zinc/18/61/20/914186120.db2.gz WJUYYRCLWBQICT-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001267408545 897875970 /nfs/dbraw/zinc/87/59/70/897875970.db2.gz ICWVHUJKOABICP-UHFFFAOYSA-N 2 0 287.407 1.086 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001267517057 898205595 /nfs/dbraw/zinc/20/55/95/898205595.db2.gz LWAWNEKBZYLOAE-IAGOWNOFSA-N 2 0 299.418 1.551 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267653781 899177843 /nfs/dbraw/zinc/17/78/43/899177843.db2.gz YSPRPOBKVLUHCP-CABCVRRESA-N 2 0 297.418 1.080 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001481229308 899513496 /nfs/dbraw/zinc/51/34/96/899513496.db2.gz RFINVDHZHFPOGX-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCC1 ZINC001267841376 899853758 /nfs/dbraw/zinc/85/37/58/899853758.db2.gz RMLWFPBMOUATOB-OAHLLOKOSA-N 2 0 291.439 1.370 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267989557 900208075 /nfs/dbraw/zinc/20/80/75/900208075.db2.gz MOPWKSIHORQJIL-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC001268038398 900708242 /nfs/dbraw/zinc/70/82/42/900708242.db2.gz BUJFVOOZZKIDTA-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001268101514 901290385 /nfs/dbraw/zinc/29/03/85/901290385.db2.gz YNUXQFBLGDCJAB-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001268163950 901463471 /nfs/dbraw/zinc/46/34/71/901463471.db2.gz SKAZYJHEDBVGRA-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001268190713 901546265 /nfs/dbraw/zinc/54/62/65/901546265.db2.gz FEMMAZLBVSIAEC-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001268214734 901584468 /nfs/dbraw/zinc/58/44/68/901584468.db2.gz ZFJIVEZYPWQZDV-AWEZNQCLSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[N@@H+](C)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001567752435 1168951863 /nfs/dbraw/zinc/95/18/63/1168951863.db2.gz SHAOZPFFBYKAIS-MRXNPFEDSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001481678783 901786033 /nfs/dbraw/zinc/78/60/33/901786033.db2.gz YSODQGPADCUEOU-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001481740998 901987393 /nfs/dbraw/zinc/98/73/93/901987393.db2.gz HKSPZWQFFGVDBC-CVEARBPZSA-N 2 0 293.455 1.663 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001496625566 902111706 /nfs/dbraw/zinc/11/17/06/902111706.db2.gz AZVSHMMWWMZFKJ-LSDHHAIUSA-N 2 0 281.444 1.635 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001269292101 903664044 /nfs/dbraw/zinc/66/40/44/903664044.db2.gz OVIAXGJXZDCODN-UONOGXRCSA-N 2 0 267.417 1.339 10 30 CDEERP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001269345398 903722151 /nfs/dbraw/zinc/72/21/51/903722151.db2.gz PTQNRGPLQCIYIW-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001269588222 903953641 /nfs/dbraw/zinc/95/36/41/903953641.db2.gz NFGHPTAQGCXBEE-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH+]1CCC(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001270150619 904398593 /nfs/dbraw/zinc/39/85/93/904398593.db2.gz BKPDUEVIEBAHFH-UHFFFAOYSA-N 2 0 291.439 1.487 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001270166264 904410983 /nfs/dbraw/zinc/41/09/83/904410983.db2.gz USNPXQKYZKSZAF-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001270919487 905447366 /nfs/dbraw/zinc/44/73/66/905447366.db2.gz LBLBMFWEPPGGPI-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001505625403 908086238 /nfs/dbraw/zinc/08/62/38/908086238.db2.gz JRRZQCNJGYAWIQ-ZIAGYGMSSA-N 2 0 281.444 1.920 10 30 CDEERP C=CCCC[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001482642228 908108621 /nfs/dbraw/zinc/10/86/21/908108621.db2.gz AICQXXNRFLLRCP-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001482694329 908285548 /nfs/dbraw/zinc/28/55/48/908285548.db2.gz DOUYWPMWPLYHRO-JKSUJKDBSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001568021540 1169121042 /nfs/dbraw/zinc/12/10/42/1169121042.db2.gz FWWWRQVEBBWLJH-QGZVFWFLSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001483408635 911073991 /nfs/dbraw/zinc/07/39/91/911073991.db2.gz QGADIOVYGZPVRS-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001483492607 911188668 /nfs/dbraw/zinc/18/86/68/911188668.db2.gz HKGWJWPDKZNIOQ-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001568097983 1169135663 /nfs/dbraw/zinc/13/56/63/1169135663.db2.gz NOHXDQVAMUKFFV-HNNXBMFYSA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001483946843 915223419 /nfs/dbraw/zinc/22/34/19/915223419.db2.gz LAIKKYNMFUOZSN-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](C(C)C)CC1 ZINC001483985608 915262345 /nfs/dbraw/zinc/26/23/45/915262345.db2.gz DIVNIGCAUVNEJP-MRXNPFEDSA-N 2 0 291.439 1.415 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001484095104 915429068 /nfs/dbraw/zinc/42/90/68/915429068.db2.gz BHJKJZCSGLDWTC-WBVHZDCISA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001484376308 915698881 /nfs/dbraw/zinc/69/88/81/915698881.db2.gz YYGCZHJNKHUBQO-LSDHHAIUSA-N 2 0 281.444 1.588 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001485075198 916471241 /nfs/dbraw/zinc/47/12/41/916471241.db2.gz BEGMZXQQIPMKBT-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001485651791 917151402 /nfs/dbraw/zinc/15/14/02/917151402.db2.gz YHASITICNBLBJT-LSDHHAIUSA-N 2 0 297.443 1.108 10 30 CDEERP C=CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485644645 917157324 /nfs/dbraw/zinc/15/73/24/917157324.db2.gz QXIREVOCNDCSHT-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001273515396 919889556 /nfs/dbraw/zinc/88/95/56/919889556.db2.gz VECXZNFSKJMXPB-INIZCTEOSA-N 2 0 291.439 1.132 10 30 CDEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001276380642 936621725 /nfs/dbraw/zinc/62/17/25/936621725.db2.gz BTLVAWIUYRIZGL-SQWLQELKSA-N 2 0 293.455 1.729 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485955445 920595397 /nfs/dbraw/zinc/59/53/97/920595397.db2.gz MJRJJKNEVDZLBV-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001486133537 920738477 /nfs/dbraw/zinc/73/84/77/920738477.db2.gz DIGLIFBVABYXLV-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001486133326 920738869 /nfs/dbraw/zinc/73/88/69/920738869.db2.gz AVVXANWOYVYNMA-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001486209916 920820267 /nfs/dbraw/zinc/82/02/67/920820267.db2.gz FEWYWLGELVTGAL-CHWSQXEVSA-N 2 0 287.835 1.565 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001486219044 920829305 /nfs/dbraw/zinc/82/93/05/920829305.db2.gz QMNIBDFMQPWZOD-KBPBESRZSA-N 2 0 290.411 1.711 10 30 CDEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001568331151 1169249767 /nfs/dbraw/zinc/24/97/67/1169249767.db2.gz MFTVAGUWBFQZSC-OAHLLOKOSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001491080906 936852168 /nfs/dbraw/zinc/85/21/68/936852168.db2.gz VFBIEEILBTZCOM-GASCZTMLSA-N 2 0 277.412 1.123 10 30 CDEERP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001273848471 926105899 /nfs/dbraw/zinc/10/58/99/926105899.db2.gz JSBOMTWNDGDKPE-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001488683887 926647862 /nfs/dbraw/zinc/64/78/62/926647862.db2.gz PBUDIORITCOOPO-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001490777853 927343303 /nfs/dbraw/zinc/34/33/03/927343303.db2.gz TUHRAUXVJUBNKY-HOTGVXAUSA-N 2 0 293.455 1.685 10 30 CDEERP C=CCOCCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693721022 937250740 /nfs/dbraw/zinc/25/07/40/937250740.db2.gz VNAAVSFPCSKSDD-HZSPNIEDSA-N 2 0 252.402 1.945 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001274344821 931491745 /nfs/dbraw/zinc/49/17/45/931491745.db2.gz HRJMXYYAAGNUMM-UHFFFAOYSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001274608419 931519127 /nfs/dbraw/zinc/51/91/27/931519127.db2.gz FUZARWJRDAFHGH-IYKSTZQJSA-N 2 0 277.412 1.002 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001274840007 931590209 /nfs/dbraw/zinc/59/02/09/931590209.db2.gz CVFVZPCJQOTWPS-HNNXBMFYSA-N 2 0 281.444 1.923 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001275334817 931737468 /nfs/dbraw/zinc/73/74/68/931737468.db2.gz TZWDFIFXXOYUEX-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001275519697 931852739 /nfs/dbraw/zinc/85/27/39/931852739.db2.gz BKKGNFOQDIUAGN-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001275628969 931915671 /nfs/dbraw/zinc/91/56/71/931915671.db2.gz IMTRAIKIUSFVAP-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC001275648297 931927992 /nfs/dbraw/zinc/92/79/92/931927992.db2.gz IODTUEMLTGSRGY-CABCVRRESA-N 2 0 281.444 1.567 10 30 CDEERP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001275648302 931928516 /nfs/dbraw/zinc/92/85/16/931928516.db2.gz IODTUEMLTGSRGY-LSDHHAIUSA-N 2 0 281.444 1.567 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001275919740 932132831 /nfs/dbraw/zinc/13/28/31/932132831.db2.gz FNWFQRMTBLIOBB-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C[NH2+]CCOCC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001118959604 937681877 /nfs/dbraw/zinc/68/18/77/937681877.db2.gz QGKDIHDYUQKTFY-UHFFFAOYSA-N 2 0 273.380 1.436 10 30 CDEERP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001568669671 1169423907 /nfs/dbraw/zinc/42/39/07/1169423907.db2.gz ULMXPKIETOXAEB-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001276588566 940392189 /nfs/dbraw/zinc/39/21/89/940392189.db2.gz JJUGTRKHKGSXEC-JKSUJKDBSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCC[NH+]1CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001276866385 941660634 /nfs/dbraw/zinc/66/06/34/941660634.db2.gz CSZRXHUQQWYGBZ-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001276910454 941691298 /nfs/dbraw/zinc/69/12/98/941691298.db2.gz ZMYYGMCLDDTJEY-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001277151505 942059462 /nfs/dbraw/zinc/05/94/62/942059462.db2.gz UPBUHPFXIBLTSX-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001277352057 942411926 /nfs/dbraw/zinc/41/19/26/942411926.db2.gz PZVFOCLQJKVYFM-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001280197486 942422542 /nfs/dbraw/zinc/42/25/42/942422542.db2.gz ILIQMAIJHORPED-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283179888 942847042 /nfs/dbraw/zinc/84/70/42/942847042.db2.gz ZOHPATNODVHMQB-RRFJBIMHSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001284248142 943131466 /nfs/dbraw/zinc/13/14/66/943131466.db2.gz SXPRBGQEDFMYRX-UONOGXRCSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001263879182 944017768 /nfs/dbraw/zinc/01/77/68/944017768.db2.gz PTTVKQRSVBOGRH-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001263919394 944031589 /nfs/dbraw/zinc/03/15/89/944031589.db2.gz QXGWKVISPGNXOB-OWCLPIDISA-N 2 0 293.455 1.779 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001264370758 944115323 /nfs/dbraw/zinc/11/53/23/944115323.db2.gz JOXAAOQJHUFXIZ-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001264403553 944126168 /nfs/dbraw/zinc/12/61/68/944126168.db2.gz RXBOHBFOVWYGHW-QLFBSQMISA-N 2 0 279.428 1.080 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001264650414 944159203 /nfs/dbraw/zinc/15/92/03/944159203.db2.gz QAFJPYRLQJAHID-CVEARBPZSA-N 2 0 291.439 1.132 10 30 CDEERP C=CCC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001265155980 944253264 /nfs/dbraw/zinc/25/32/64/944253264.db2.gz JRCRYMMURBYEFM-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265225393 944284888 /nfs/dbraw/zinc/28/48/88/944284888.db2.gz XBARQJLQZLZWTM-HUUCEWRRSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265231059 944287509 /nfs/dbraw/zinc/28/75/09/944287509.db2.gz REUOVLDAOGGNGW-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001265378160 944365759 /nfs/dbraw/zinc/36/57/59/944365759.db2.gz HTRIZYNDEPJVNY-UONOGXRCSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001265508297 944412922 /nfs/dbraw/zinc/41/29/22/944412922.db2.gz BXYCQVARGQPYKQ-HDJSIYSDSA-N 2 0 267.417 1.530 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265618900 944448978 /nfs/dbraw/zinc/44/89/78/944448978.db2.gz BVNODTFFTXEUAT-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265629642 944451366 /nfs/dbraw/zinc/45/13/66/944451366.db2.gz DBUAGFNVDJRORQ-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001265845880 944536975 /nfs/dbraw/zinc/53/69/75/944536975.db2.gz HDJNINVDWUEYLG-CQSZACIVSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001479774925 971410601 /nfs/dbraw/zinc/41/06/01/971410601.db2.gz KCTYCQMOXOUZQV-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001480112333 971582613 /nfs/dbraw/zinc/58/26/13/971582613.db2.gz APRIGVWQRDJNJG-AWEZNQCLSA-N 2 0 296.374 1.470 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001480144463 971600250 /nfs/dbraw/zinc/60/02/50/971600250.db2.gz JZMHLECGGASGBT-JHJVBQTASA-N 2 0 253.390 1.140 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480208443 971628397 /nfs/dbraw/zinc/62/83/97/971628397.db2.gz UCNXCBHGAYXVFE-OKILXGFUSA-N 2 0 279.428 1.674 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001480265820 971651980 /nfs/dbraw/zinc/65/19/80/971651980.db2.gz SAEBMGQEEPKPHY-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001493182505 971974335 /nfs/dbraw/zinc/97/43/35/971974335.db2.gz IHFAVLDDEQRJBD-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001325581659 953970967 /nfs/dbraw/zinc/97/09/67/953970967.db2.gz NGRHTRAFHDVRNP-LSDHHAIUSA-N 2 0 281.444 1.588 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001569171448 1169701930 /nfs/dbraw/zinc/70/19/30/1169701930.db2.gz WKFORLHXGVLTNV-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001493264023 972000712 /nfs/dbraw/zinc/00/07/12/972000712.db2.gz NMJVLSGWYCHEPO-OAHLLOKOSA-N 2 0 279.428 1.487 10 30 CDEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001326420132 954372187 /nfs/dbraw/zinc/37/21/87/954372187.db2.gz YZUYNUNRQKVDGL-JKSUJKDBSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1 ZINC001327035908 954669466 /nfs/dbraw/zinc/66/94/66/954669466.db2.gz PVSFOPDEYSAUEB-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001327474612 954897557 /nfs/dbraw/zinc/89/75/57/954897557.db2.gz NJBWLEJDBUJOPD-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493498288 972071265 /nfs/dbraw/zinc/07/12/65/972071265.db2.gz ATPYJGOULCKCPM-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001493591492 972086600 /nfs/dbraw/zinc/08/66/00/972086600.db2.gz OOIQYICOKWGTLR-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491882658 955490669 /nfs/dbraw/zinc/49/06/69/955490669.db2.gz PKJOOKNUIKCSFD-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001422103106 955745252 /nfs/dbraw/zinc/74/52/52/955745252.db2.gz AXVORISEKSCVJJ-UHFFFAOYSA-N 2 0 291.370 1.586 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001569226288 1169725727 /nfs/dbraw/zinc/72/57/27/1169725727.db2.gz IUIHNPHHKJDYFC-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001493884802 972133566 /nfs/dbraw/zinc/13/35/66/972133566.db2.gz CBMLJYYKODMTIT-CVEARBPZSA-N 2 0 287.407 1.714 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001330021634 956236886 /nfs/dbraw/zinc/23/68/86/956236886.db2.gz LGIKYNGHQSTJRG-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CCO1 ZINC001330424358 956423043 /nfs/dbraw/zinc/42/30/43/956423043.db2.gz IYFSHZYPMQIOQH-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480680615 956499961 /nfs/dbraw/zinc/49/99/61/956499961.db2.gz NPZBDIFUTZZSFN-INIZCTEOSA-N 2 0 291.439 1.324 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001330839978 956660831 /nfs/dbraw/zinc/66/08/31/956660831.db2.gz BPOHXYDLPUNIGU-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)Cn2ccnc2C)C1 ZINC001328954994 956924070 /nfs/dbraw/zinc/92/40/70/956924070.db2.gz MFJKASBSQULRBS-UHFFFAOYSA-N 2 0 276.384 1.252 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001331454917 957071489 /nfs/dbraw/zinc/07/14/89/957071489.db2.gz JJHYHEQYTWLPSK-QLFBSQMISA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317177005 957322831 /nfs/dbraw/zinc/32/28/31/957322831.db2.gz FRNNNAGMVBPEJJ-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001332043716 957412994 /nfs/dbraw/zinc/41/29/94/957412994.db2.gz ASEANILTGVJPPH-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001317346585 957432147 /nfs/dbraw/zinc/43/21/47/957432147.db2.gz XFNZCIQCVZSSOX-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317360648 957437692 /nfs/dbraw/zinc/43/76/92/957437692.db2.gz QUBSXYLVMCDGRX-CABCVRRESA-N 2 0 289.423 1.123 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001317507648 957518672 /nfs/dbraw/zinc/51/86/72/957518672.db2.gz DFDQLLFOFJICCK-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001367159487 957815905 /nfs/dbraw/zinc/81/59/05/957815905.db2.gz XEGIUJDRJLFBJV-UHFFFAOYSA-N 2 0 287.835 1.709 10 30 CDEERP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001318712047 958240338 /nfs/dbraw/zinc/24/03/38/958240338.db2.gz WULOGYXJHIMWRX-RDJZCZTQSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C[C@@](C)(NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001318729747 958247735 /nfs/dbraw/zinc/24/77/35/958247735.db2.gz POSNDVJRJBCLEG-RHSMWYFYSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001333420854 958323435 /nfs/dbraw/zinc/32/34/35/958323435.db2.gz ZBOZTIOKVYVTBQ-UHFFFAOYSA-N 2 0 291.439 1.653 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001319454398 958574656 /nfs/dbraw/zinc/57/46/56/958574656.db2.gz NDACIDDZNHIEOF-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001333995775 958750783 /nfs/dbraw/zinc/75/07/83/958750783.db2.gz SONMSMJJKCQHHB-AWEZNQCLSA-N 2 0 265.401 1.191 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001495212430 972437794 /nfs/dbraw/zinc/43/77/94/972437794.db2.gz UABIQBRZNMYCQI-HUUCEWRRSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001323107303 960456102 /nfs/dbraw/zinc/45/61/02/960456102.db2.gz ADMOGTDHWGLJQR-GJZGRUSLSA-N 2 0 279.428 1.389 10 30 CDEERP C#CCC[C@@H](O)C[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001560991737 961048359 /nfs/dbraw/zinc/04/83/59/961048359.db2.gz PUKBHLYHUBZILK-AQFXKWCLSA-N 2 0 294.439 1.384 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001420784918 963239011 /nfs/dbraw/zinc/23/90/11/963239011.db2.gz MLYAZTCVBQDYAG-QWHCGFSZSA-N 2 0 287.835 1.564 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC001342456041 963743838 /nfs/dbraw/zinc/74/38/38/963743838.db2.gz WOLJMUMMVSERJF-JTQLQIEISA-N 2 0 294.424 1.170 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001441816683 964728764 /nfs/dbraw/zinc/72/87/64/964728764.db2.gz DTHRKRREIXPYOT-YPMHNXCESA-N 2 0 285.819 1.175 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001444854142 965976124 /nfs/dbraw/zinc/97/61/24/965976124.db2.gz CCKQZMIQBJBDQS-OLZOCXBDSA-N 2 0 287.835 1.564 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[N@@H+](CC)CC1(C)C ZINC001456233246 968911592 /nfs/dbraw/zinc/91/15/92/968911592.db2.gz WJDMJBOBUSQPQJ-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP CCNC(NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)=[NH+]CC ZINC000849045587 969432048 /nfs/dbraw/zinc/43/20/48/969432048.db2.gz BHGUZRDTAIVLOO-CVEARBPZSA-N 2 0 288.439 1.907 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1C#N ZINC001464693088 969807292 /nfs/dbraw/zinc/80/72/92/969807292.db2.gz HSBUHVODKOBZRE-QLFBSQMISA-N 2 0 292.427 1.021 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001495943203 972713954 /nfs/dbraw/zinc/71/39/54/972713954.db2.gz COKRIFNNAASHEN-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001496366196 972901345 /nfs/dbraw/zinc/90/13/45/972901345.db2.gz ATXSVSUQJWOASA-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001496843818 973117615 /nfs/dbraw/zinc/11/76/15/973117615.db2.gz FKKINAVPKFLRNM-UHFFFAOYSA-N 2 0 255.406 1.293 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001497329898 973289036 /nfs/dbraw/zinc/28/90/36/973289036.db2.gz FIUFKMNYNKTTDE-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001374755677 974106768 /nfs/dbraw/zinc/10/67/68/974106768.db2.gz JDWGWUUJPKAWAS-FRRDWIJNSA-N 2 0 287.835 1.564 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCC1 ZINC001500111967 974376450 /nfs/dbraw/zinc/37/64/50/974376450.db2.gz SBQOZEGDVHVTED-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001501149677 974541993 /nfs/dbraw/zinc/54/19/93/974541993.db2.gz FSCHHKVHWXGFEK-CABCVRRESA-N 2 0 279.428 1.036 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001506065018 975103291 /nfs/dbraw/zinc/10/32/91/975103291.db2.gz HFKLZPAIEWOLKY-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001506526684 975173078 /nfs/dbraw/zinc/17/30/78/975173078.db2.gz UIWZYCPHGZMWIS-UHFFFAOYSA-N 2 0 291.439 1.514 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001506549758 975177785 /nfs/dbraw/zinc/17/77/85/975177785.db2.gz UAFOCXSDXFOLTE-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001507011859 975294243 /nfs/dbraw/zinc/29/42/43/975294243.db2.gz OJMDJPWDLKSGRY-HZPDHXFCSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001507317467 975414324 /nfs/dbraw/zinc/41/43/24/975414324.db2.gz GZTBNWKLVVPZOH-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001507418733 975461955 /nfs/dbraw/zinc/46/19/55/975461955.db2.gz JCJUQXXXVLZWAE-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001508021146 975579322 /nfs/dbraw/zinc/57/93/22/975579322.db2.gz GWFVIFKLFDEIIX-UONOGXRCSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001398686230 976108119 /nfs/dbraw/zinc/10/81/19/976108119.db2.gz JOIBSKWXYLWXAP-KGLIPLIRSA-N 2 0 299.846 1.661 10 30 CDEERP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001380406765 976410933 /nfs/dbraw/zinc/41/09/33/976410933.db2.gz XANKFKRNOAVRRO-ZFWWWQNUSA-N 2 0 299.846 1.661 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001675055174 1174070888 /nfs/dbraw/zinc/07/08/88/1174070888.db2.gz YGIVXTIRFMNXRN-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001676351422 1174213298 /nfs/dbraw/zinc/21/32/98/1174213298.db2.gz QSAVPJWDLZWSIS-ZBFHGGJFSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001677033321 1174309358 /nfs/dbraw/zinc/30/93/58/1174309358.db2.gz XETRJAYOIKICFJ-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001570751895 1170271947 /nfs/dbraw/zinc/27/19/47/1170271947.db2.gz RKAOHTKHWMOULR-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001570858138 1170302803 /nfs/dbraw/zinc/30/28/03/1170302803.db2.gz RRYFLIQPTBBCNL-AWEZNQCLSA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001570958236 1170322923 /nfs/dbraw/zinc/32/29/23/1170322923.db2.gz MJSVJRMVLOLHHT-APIJFGDWSA-N 2 0 279.428 1.053 10 30 CDEERP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001571493561 1170453504 /nfs/dbraw/zinc/45/35/04/1170453504.db2.gz SINSTBSJJBGEJT-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001657071507 1171925464 /nfs/dbraw/zinc/92/54/64/1171925464.db2.gz ZMCGNWVBOHNWNI-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)C(C)C ZINC000121234141 342088150 /nfs/dbraw/zinc/08/81/50/342088150.db2.gz BLKNXWJHMMXBPU-DOTOQJQBSA-N 2 0 293.455 1.943 10 30 CDEERP C[NH+]1CCC2(CC1)C[N@H+](CCCCC#N)CCO2 ZINC000592181940 342679468 /nfs/dbraw/zinc/67/94/68/342679468.db2.gz JQXGPCRWYCTJQD-UHFFFAOYSA-N 2 0 251.374 1.477 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000594440770 342907361 /nfs/dbraw/zinc/90/73/61/342907361.db2.gz BTFPBPMCBALEAV-HNNXBMFYSA-N 2 0 286.379 1.317 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000594443203 342908005 /nfs/dbraw/zinc/90/80/05/342908005.db2.gz ALSCJMYXQYUFCL-IHRRRGAJSA-N 2 0 280.416 1.279 10 30 CDEERP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600729787 342245675 /nfs/dbraw/zinc/24/56/75/342245675.db2.gz HXZRZLCTQPMNQH-CABCVRRESA-N 2 0 279.428 1.609 10 30 CDEERP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600735565 342246316 /nfs/dbraw/zinc/24/63/16/342246316.db2.gz LFUMJKIUKJFLDM-KGLIPLIRSA-N 2 0 265.401 1.363 10 30 CDEERP CC1(C)CC([NH2+]C[C@H](O)CC2(C#N)CC2)CC(C)(C)[NH2+]1 ZINC000600738669 342246613 /nfs/dbraw/zinc/24/66/13/342246613.db2.gz JMRLOVAMUDGWDQ-CYBMUJFWSA-N 2 0 279.428 1.940 10 30 CDEERP N#CCc1cccc2c1CC[N@@H+](CCOCC[NH3+])C2 ZINC000600748898 342247237 /nfs/dbraw/zinc/24/72/37/342247237.db2.gz FOEAFIRCGHGFKS-UHFFFAOYSA-N 2 0 259.353 1.086 10 30 CDEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1nc(C#N)cs1 ZINC000594968186 342991226 /nfs/dbraw/zinc/99/12/26/342991226.db2.gz VODQIMNEYMXQNQ-LBPRGKRZSA-N 2 0 295.456 1.376 10 30 CDEERP CC(C)(CCC#N)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000597235197 343490503 /nfs/dbraw/zinc/49/05/03/343490503.db2.gz FUKPKLXSHGJKPY-OAHLLOKOSA-N 2 0 279.428 1.847 10 30 CDEERP C[NH+](CC#CC[N@@H+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000352222865 529823155 /nfs/dbraw/zinc/82/31/55/529823155.db2.gz SQHITWDXDICZFZ-HOTGVXAUSA-N 2 0 280.412 1.211 10 30 CDEERP C=CCN1CC[C@H](N2[C@H](C)[C@@H](C)CC[C@H]2C[NH3+])C1=O ZINC000641810492 365898808 /nfs/dbraw/zinc/89/88/08/365898808.db2.gz XNOWJLCIYGZCBM-CRWXNKLISA-N 2 0 265.401 1.221 10 30 CDEERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N(C)CCC#N)[C@H](C)C1 ZINC000092804898 360285140 /nfs/dbraw/zinc/28/51/40/360285140.db2.gz NHDNUUOFRNHKLM-HUUCEWRRSA-N 2 0 294.443 1.411 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001662718311 1172585294 /nfs/dbraw/zinc/58/52/94/1172585294.db2.gz RIZIRKCMGXQBIK-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001662839179 1172603482 /nfs/dbraw/zinc/60/34/82/1172603482.db2.gz ORKBTGVXFTWCLI-OWCLPIDISA-N 2 0 291.439 1.273 10 30 CDEERP C=C(C)CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001663180109 1172651094 /nfs/dbraw/zinc/65/10/94/1172651094.db2.gz JLIHSMSATXNHJL-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001663593060 1172731975 /nfs/dbraw/zinc/73/19/75/1172731975.db2.gz QTOWJPRWOIWIPR-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001664443094 1172853879 /nfs/dbraw/zinc/85/38/79/1172853879.db2.gz RNQPSIYAUOVZEE-CQSZACIVSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[C@@]1(C(=O)NCCC[NH+]2CCCC2)CCC[NH2+]1 ZINC000662669631 413276688 /nfs/dbraw/zinc/27/66/88/413276688.db2.gz BDDSDGSYTQQBSV-HNNXBMFYSA-N 2 0 265.401 1.287 10 30 CDEERP C=CC[C@]1(C(=O)NC2CC[NH+](CCC)CC2)CCC[NH2+]1 ZINC000662669728 413285254 /nfs/dbraw/zinc/28/52/54/413285254.db2.gz CCWVNRYALSKVFO-MRXNPFEDSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662721500 413382962 /nfs/dbraw/zinc/38/29/62/413382962.db2.gz QXJPNZPYQFTIDQ-UHFFFAOYSA-N 2 0 277.412 1.428 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001665687082 1173038348 /nfs/dbraw/zinc/03/83/48/1173038348.db2.gz WOIXIMIPBWVKSV-OAHLLOKOSA-N 2 0 277.412 1.028 10 30 CDEERP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001665743346 1173049757 /nfs/dbraw/zinc/04/97/57/1173049757.db2.gz XGBACRJTZXDHSS-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295147 414620700 /nfs/dbraw/zinc/62/07/00/414620700.db2.gz FNZCCYVERMHKRT-UKRRQHHQSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)COC ZINC000662298813 414623021 /nfs/dbraw/zinc/62/30/21/414623021.db2.gz HGHLBZRZHKHBJE-QWHCGFSZSA-N 2 0 254.374 1.030 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CO)s1 ZINC000043683950 175092399 /nfs/dbraw/zinc/09/23/99/175092399.db2.gz YEVCXWCMPZURBA-GFCCVEGCSA-N 2 0 264.394 1.405 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001665856620 1173075102 /nfs/dbraw/zinc/07/51/02/1173075102.db2.gz QPNPCMMKTNXBNR-JKSUJKDBSA-N 2 0 293.455 1.759 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001666674063 1173170842 /nfs/dbraw/zinc/17/08/42/1173170842.db2.gz ZBWDZJQZXXZVQW-CVEARBPZSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[C@]1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCC[NH2+]1 ZINC000662828892 424511839 /nfs/dbraw/zinc/51/18/39/424511839.db2.gz NWIDACQLDCRXHQ-CWRNSKLLSA-N 2 0 277.412 1.272 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001667211155 1173245901 /nfs/dbraw/zinc/24/59/01/1173245901.db2.gz RDFXNJKFWJDISV-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001667751635 1173320050 /nfs/dbraw/zinc/32/00/50/1173320050.db2.gz LXCWUWRUKIGRQL-HUUCEWRRSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001668059159 1173362919 /nfs/dbraw/zinc/36/29/19/1173362919.db2.gz AXTLUINKYXSJSA-GDBMZVCRSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001669559663 1173569166 /nfs/dbraw/zinc/56/91/66/1173569166.db2.gz YDQBVWCUGHMUQX-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001669812301 1173612425 /nfs/dbraw/zinc/61/24/25/1173612425.db2.gz XSRCFAHLVVTABZ-DZGCQCFKSA-N 2 0 279.428 1.341 10 30 CDEERP [NH2+]=C(NC[C@@H]1CCCO1)NC1CC([NH+]2CCCCC2)C1 ZINC000262435217 330010459 /nfs/dbraw/zinc/01/04/59/330010459.db2.gz XCAOOZHJTFQYLU-RUXDESIVSA-N 2 0 280.416 1.087 10 30 CDEERP C[NH+](C)C1(CNC(=[NH2+])NC2CCCCC2)CCOCC1 ZINC000262538528 330020100 /nfs/dbraw/zinc/02/01/00/330020100.db2.gz QTTNGRYNVVLHFX-UHFFFAOYSA-N 2 0 282.432 1.334 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](C)CC ZINC001267386494 1159358068 /nfs/dbraw/zinc/35/80/68/1159358068.db2.gz JKFADAMKMYUQID-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001268016154 1159649163 /nfs/dbraw/zinc/64/91/63/1159649163.db2.gz ZRTXNXVDLXFRJJ-UONOGXRCSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001700417274 1176917306 /nfs/dbraw/zinc/91/73/06/1176917306.db2.gz GBDIKTGJNQAUPH-CHWSQXEVSA-N 2 0 267.417 1.387 10 30 CDEERP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001700890820 1160072833 /nfs/dbraw/zinc/07/28/33/1160072833.db2.gz XAVQXSXZHZEPJV-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)[C@H](CO)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000679374399 483352011 /nfs/dbraw/zinc/35/20/11/483352011.db2.gz HJUVZRGJUGTTCQ-WFVVYAPDSA-N 2 0 293.455 1.166 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001691603238 1160714928 /nfs/dbraw/zinc/71/49/28/1160714928.db2.gz WURAOZCJBCXSNL-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000049232203 519814481 /nfs/dbraw/zinc/81/44/81/519814481.db2.gz FVEPYNMQGUAFFL-ZDUSSCGKSA-N 2 0 293.436 1.374 10 30 CDEERP COc1ccc(C#CC[NH3+])cc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000049609677 523513728 /nfs/dbraw/zinc/51/37/28/523513728.db2.gz PPNSIMXGEDGLMV-INIZCTEOSA-N 2 0 288.391 1.616 10 30 CDEERP [NH3+]CC#Cc1cccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000062941474 527151948 /nfs/dbraw/zinc/15/19/48/527151948.db2.gz QJZPMPBRGFLTOF-GOSISDBHSA-N 2 0 283.419 1.667 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]([N@@H+](C)CC)C2)CC1 ZINC001678389721 1174435967 /nfs/dbraw/zinc/43/59/67/1174435967.db2.gz BICUUYRWYXEWCU-HNNXBMFYSA-N 2 0 294.443 1.372 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001689230145 1175122864 /nfs/dbraw/zinc/12/28/64/1175122864.db2.gz PGOKOBJBFPAYFH-CABCVRRESA-N 2 0 279.428 1.295 10 30 CDEERP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902951290 625684357 /nfs/dbraw/zinc/68/43/57/625684357.db2.gz MWLBQQFNMYUISD-CQSZACIVSA-N 2 0 290.411 1.962 10 30 CDEERP CC(C)([NH3+])CN1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000903987997 626174742 /nfs/dbraw/zinc/17/47/42/626174742.db2.gz MFTKRCBMONKKSN-CYBMUJFWSA-N 2 0 273.384 1.567 10 30 CDEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001266410034 1158534686 /nfs/dbraw/zinc/53/46/86/1158534686.db2.gz WXUCBRVDQUXARP-HZPDHXFCSA-N 2 0 291.439 1.367 10 30 CDEERP CC#CC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001267282192 1159234533 /nfs/dbraw/zinc/23/45/33/1159234533.db2.gz UJHYGFVKJJQNDQ-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001691454252 1159314309 /nfs/dbraw/zinc/31/43/09/1159314309.db2.gz BTDZWOLTVYBCMB-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566665513 1168376882 /nfs/dbraw/zinc/37/68/82/1168376882.db2.gz XDVQOGBAVQMMMF-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567201755 1168616018 /nfs/dbraw/zinc/61/60/18/1168616018.db2.gz HNOXPXCDVGVPMV-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567196766 1168616503 /nfs/dbraw/zinc/61/65/03/1168616503.db2.gz PZCPGRLETCYTMC-CQSZACIVSA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001569543869 1169918311 /nfs/dbraw/zinc/91/83/11/1169918311.db2.gz BMBNUHZJVCGVLH-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001569553663 1169921200 /nfs/dbraw/zinc/92/12/00/1169921200.db2.gz WHKNBARWUGXZFN-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001569986401 1170054812 /nfs/dbraw/zinc/05/48/12/1170054812.db2.gz IMYBORQHNISSEX-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001570018632 1170060008 /nfs/dbraw/zinc/06/00/08/1170060008.db2.gz HCQHTWBWXRYVGB-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001570044930 1170062953 /nfs/dbraw/zinc/06/29/53/1170062953.db2.gz SITUFNWZRVWSSO-WKILWMFISA-N 2 0 293.455 1.616 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001570363950 1170142902 /nfs/dbraw/zinc/14/29/02/1170142902.db2.gz KRHPZKXCNRJAQW-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001570468346 1170166719 /nfs/dbraw/zinc/16/67/19/1170166719.db2.gz HJTODMYOLGHPOS-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001570566290 1170190195 /nfs/dbraw/zinc/19/01/95/1170190195.db2.gz ZAJRKECMJRXBBE-UHFFFAOYSA-N 2 0 289.423 1.123 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001570609133 1170211071 /nfs/dbraw/zinc/21/10/71/1170211071.db2.gz XSRVMKNKRPIVQN-NEPJUHHUSA-N 2 0 253.390 1.140 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001570860491 1170303937 /nfs/dbraw/zinc/30/39/37/1170303937.db2.gz UXTDCQFIBWNNND-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001665597031 1173016336 /nfs/dbraw/zinc/01/63/36/1173016336.db2.gz FEKYFZFDVXMOST-OAHLLOKOSA-N 2 0 277.412 1.076 10 30 CDEERP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001671892942 1173720065 /nfs/dbraw/zinc/72/00/65/1173720065.db2.gz VQYMYGDSDTZLRJ-WBVHZDCISA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001676082167 1174179562 /nfs/dbraw/zinc/17/95/62/1174179562.db2.gz GGOKIWBCNNMCBL-UHFFFAOYSA-N 2 0 290.411 1.690 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001698557850 1174846329 /nfs/dbraw/zinc/84/63/29/1174846329.db2.gz ODJREDAMVLBKSZ-HUUCEWRRSA-N 2 0 279.428 1.580 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001690587782 1175513805 /nfs/dbraw/zinc/51/38/05/1175513805.db2.gz XYQMIPBSHHDNJR-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001690874978 1175597300 /nfs/dbraw/zinc/59/73/00/1175597300.db2.gz XYJAJGYPJMMZEA-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001692332618 1175739029 /nfs/dbraw/zinc/73/90/29/1175739029.db2.gz AOUGSPSSTCCLSB-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001698601154 1175866779 /nfs/dbraw/zinc/86/67/79/1175866779.db2.gz OSCVMSWTUDVDPU-RBSFLKMASA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699134033 1176107871 /nfs/dbraw/zinc/10/78/71/1176107871.db2.gz HGXYSGCPSHGASS-CZUORRHYSA-N 2 0 299.434 1.869 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001699344589 1176275082 /nfs/dbraw/zinc/27/50/82/1176275082.db2.gz KYHHEVBJYJEJSD-AATRIKPKSA-N 2 0 287.407 1.810 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001699582188 1176483623 /nfs/dbraw/zinc/48/36/23/1176483623.db2.gz XUHAGIYPRMWYIB-UONOGXRCSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001699853187 1176657596 /nfs/dbraw/zinc/65/75/96/1176657596.db2.gz HYKDTRYICTYPRN-WBVHZDCISA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001700016769 1176720070 /nfs/dbraw/zinc/72/00/70/1176720070.db2.gz KWEPRPPGOHPTAI-HZPDHXFCSA-N 2 0 291.439 1.417 10 30 CDEERP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001700019916 1176721647 /nfs/dbraw/zinc/72/16/47/1176721647.db2.gz DONKNXVRBFCTNB-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001700644414 1177053346 /nfs/dbraw/zinc/05/33/46/1177053346.db2.gz VHLMEQQWFSSJST-SHTZXODSSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCC)C2)CC1 ZINC001700645941 1177053394 /nfs/dbraw/zinc/05/33/94/1177053394.db2.gz QAJFKPRZYGQPEY-KOMQPUFPSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001700753553 1177115249 /nfs/dbraw/zinc/11/52/49/1177115249.db2.gz XZQSASGUSZPERG-HIFRSBDPSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001700758608 1177117704 /nfs/dbraw/zinc/11/77/04/1177117704.db2.gz CUVZGLIJVTWKLN-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001700821325 1177148915 /nfs/dbraw/zinc/14/89/15/1177148915.db2.gz JUQTZWQCJDHKEA-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001700822084 1177150263 /nfs/dbraw/zinc/15/02/63/1177150263.db2.gz IRWSQPLTIMXUKK-LSDHHAIUSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001701056117 1177258355 /nfs/dbraw/zinc/25/83/55/1177258355.db2.gz XIRVVEYFJRRLDK-UHFFFAOYSA-N 2 0 277.412 1.100 10 30 CDEERP C#CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001707462471 1178060764 /nfs/dbraw/zinc/06/07/64/1178060764.db2.gz QOOGUHPSRUOVGA-MRXNPFEDSA-N 2 0 293.455 1.570 10 30 CDEERP C#CCC[NH+](C)CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001712990526 1178288877 /nfs/dbraw/zinc/28/88/77/1178288877.db2.gz CCAGYSIYYSURNX-GASCZTMLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001712999401 1178293071 /nfs/dbraw/zinc/29/30/71/1178293071.db2.gz MKMWELROSMVPRF-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001713193095 1178424243 /nfs/dbraw/zinc/42/42/43/1178424243.db2.gz JUHFQBXQNKLIGS-FRRDWIJNSA-N 2 0 271.380 1.089 10 30 CDEERP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713278111 1178462954 /nfs/dbraw/zinc/46/29/54/1178462954.db2.gz QYOBLUDYVAGFPH-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001713330875 1178500695 /nfs/dbraw/zinc/50/06/95/1178500695.db2.gz FOKHSHPRWBZEMZ-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001713477575 1178592742 /nfs/dbraw/zinc/59/27/42/1178592742.db2.gz VUMNELZPXFKKLK-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713530343 1178628868 /nfs/dbraw/zinc/62/88/68/1178628868.db2.gz CVCZEWWLEIFZTE-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001713558392 1178645799 /nfs/dbraw/zinc/64/57/99/1178645799.db2.gz ILGPMZQICZISET-HOTGVXAUSA-N 2 0 291.439 1.770 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713737319 1178731888 /nfs/dbraw/zinc/73/18/88/1178731888.db2.gz CSFMPUGULNDYSA-HOTGVXAUSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001713836785 1178785162 /nfs/dbraw/zinc/78/51/62/1178785162.db2.gz SCHNVAKEIXKCAN-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713994173 1178916255 /nfs/dbraw/zinc/91/62/55/1178916255.db2.gz ROHWZAKNMWLXLK-OKILXGFUSA-N 2 0 296.374 1.516 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001714014056 1178928521 /nfs/dbraw/zinc/92/85/21/1178928521.db2.gz KREMZTUUUFUDAX-HUUCEWRRSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001714022124 1178931977 /nfs/dbraw/zinc/93/19/77/1178931977.db2.gz MJVUJZFMZVVVKI-GASCZTMLSA-N 2 0 279.428 1.675 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001714088189 1178967126 /nfs/dbraw/zinc/96/71/26/1178967126.db2.gz GPWVCBJNMCWHSJ-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001714569654 1179226616 /nfs/dbraw/zinc/22/66/16/1179226616.db2.gz ANDSLDPCNKDTDW-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001714732395 1179364702 /nfs/dbraw/zinc/36/47/02/1179364702.db2.gz XHUSPWBPIZEQEY-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001714816871 1179410103 /nfs/dbraw/zinc/41/01/03/1179410103.db2.gz RUCZFGJPQZXYJK-ZFWWWQNUSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001714822840 1179411403 /nfs/dbraw/zinc/41/14/03/1179411403.db2.gz ZESGWEVFRLLPIE-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715225983 1179585123 /nfs/dbraw/zinc/58/51/23/1179585123.db2.gz DTPMTXNURVUTMB-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001715576996 1179723357 /nfs/dbraw/zinc/72/33/57/1179723357.db2.gz NOKCYNUKRNKUDS-HUUCEWRRSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001715727388 1179781284 /nfs/dbraw/zinc/78/12/84/1179781284.db2.gz HAHHUOCPTQSNTR-GJZGRUSLSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001715838420 1179861539 /nfs/dbraw/zinc/86/15/39/1179861539.db2.gz GXOULNJHHAVHHU-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCC(C)C)CC1 ZINC001716009646 1179981384 /nfs/dbraw/zinc/98/13/84/1179981384.db2.gz QWUOIFDJSVNUNL-HNNXBMFYSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716022156 1179997731 /nfs/dbraw/zinc/99/77/31/1179997731.db2.gz AYDMUDJRCCXAGS-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]CCCF)CC1 ZINC001716585880 1180294911 /nfs/dbraw/zinc/29/49/11/1180294911.db2.gz IMSCBCGONSXWMA-UHFFFAOYSA-N 2 0 297.418 1.129 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001716636158 1180317521 /nfs/dbraw/zinc/31/75/21/1180317521.db2.gz IBFBGRRNVRZOBL-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001716671612 1180357445 /nfs/dbraw/zinc/35/74/45/1180357445.db2.gz QZVVHSVOWLBAPJ-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[NH+]1CCC(C)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001716796539 1180418719 /nfs/dbraw/zinc/41/87/19/1180418719.db2.gz AWACINRJZHKIMR-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001716799266 1180419376 /nfs/dbraw/zinc/41/93/76/1180419376.db2.gz BJKFBVILAZZQFA-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCC1 ZINC001716821175 1180424782 /nfs/dbraw/zinc/42/47/82/1180424782.db2.gz LWDMZZFRSSPKGR-HNNXBMFYSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001716879546 1180452009 /nfs/dbraw/zinc/45/20/09/1180452009.db2.gz ZCGITLSMWDXNIU-MRXNPFEDSA-N 2 0 281.444 1.733 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001717285606 1180604150 /nfs/dbraw/zinc/60/41/50/1180604150.db2.gz GYFVZMHASKDHHT-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001717622559 1180760644 /nfs/dbraw/zinc/76/06/44/1180760644.db2.gz IEQZYQJUTGNVJC-JYJNAYRXSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001717648110 1180773020 /nfs/dbraw/zinc/77/30/20/1180773020.db2.gz PABUXPIMRDUVIS-KKUMJFAQSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001717800969 1180861330 /nfs/dbraw/zinc/86/13/30/1180861330.db2.gz DGVAFQDDLYZOOE-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP Cc1ccccc1NC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000170903745 1181227163 /nfs/dbraw/zinc/22/71/63/1181227163.db2.gz MNBQKAMRVLAUPK-UHFFFAOYSA-N 2 0 290.411 1.834 10 30 CDEERP C=CCN1CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001723483497 1181574889 /nfs/dbraw/zinc/57/48/89/1181574889.db2.gz RPXRQMPBAZNOTO-OAHLLOKOSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001723594163 1181590898 /nfs/dbraw/zinc/59/08/98/1181590898.db2.gz BTPIZZGTOPNELB-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001724250202 1181658549 /nfs/dbraw/zinc/65/85/49/1181658549.db2.gz NDBLWYKYFHTGPI-ZBFHGGJFSA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001724609448 1181704188 /nfs/dbraw/zinc/70/41/88/1181704188.db2.gz XVIAUZXYLLTZBG-CABCVRRESA-N 2 0 279.428 1.036 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCC1 ZINC001724799622 1181757866 /nfs/dbraw/zinc/75/78/66/1181757866.db2.gz ILUUIDGTYZEOKM-UHFFFAOYSA-N 2 0 299.418 1.624 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001725066054 1181843202 /nfs/dbraw/zinc/84/32/02/1181843202.db2.gz ZEEOXPLHBRZMIY-BCLQGDPASA-N 2 0 291.439 1.389 10 30 CDEERP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001725380609 1181981337 /nfs/dbraw/zinc/98/13/37/1181981337.db2.gz UEHSSADSUQMRKH-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001725394736 1181987117 /nfs/dbraw/zinc/98/71/17/1181987117.db2.gz DIRPDFIDTWKQDI-AWEZNQCLSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001725593790 1182065317 /nfs/dbraw/zinc/06/53/17/1182065317.db2.gz OHMJQNYXWYVWGT-HZPDHXFCSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001725604041 1182070246 /nfs/dbraw/zinc/07/02/46/1182070246.db2.gz HRDUUVOWHTYNHF-KGLIPLIRSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001725658363 1182089286 /nfs/dbraw/zinc/08/92/86/1182089286.db2.gz MCORINNHUBIZBC-CABCVRRESA-N 2 0 291.439 1.533 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001731420951 1182374042 /nfs/dbraw/zinc/37/40/42/1182374042.db2.gz AUVQMWKGIVEJOY-CVEARBPZSA-N 2 0 291.439 1.132 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001731754534 1182551115 /nfs/dbraw/zinc/55/11/15/1182551115.db2.gz PKPMTQKHQLFJAP-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC[C@H](C)F)CC1 ZINC001731988076 1182716645 /nfs/dbraw/zinc/71/66/45/1182716645.db2.gz TUSYYZFIQMFQSP-AWEZNQCLSA-N 2 0 297.418 1.128 10 30 CDEERP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001732383106 1182939733 /nfs/dbraw/zinc/93/97/33/1182939733.db2.gz CJUPMUSCTKZIFC-OAHLLOKOSA-N 2 0 297.443 1.111 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CC2CC2)CC1 ZINC001732597921 1183040389 /nfs/dbraw/zinc/04/03/89/1183040389.db2.gz RZOAVXPDKALECP-UHFFFAOYSA-N 2 0 291.439 1.132 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001732740446 1183104763 /nfs/dbraw/zinc/10/47/63/1183104763.db2.gz IOCTUTLZFCPJNL-HNNXBMFYSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001732804160 1183132390 /nfs/dbraw/zinc/13/23/90/1183132390.db2.gz CKNDDVWZQYTAIP-UHFFFAOYSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001732908304 1183179170 /nfs/dbraw/zinc/17/91/70/1183179170.db2.gz CRNZFDYAEGKXFI-SGFLJFKBSA-N 2 0 289.423 1.289 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001733049778 1183264390 /nfs/dbraw/zinc/26/43/90/1183264390.db2.gz MXVBWNATJUYSAN-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733100741 1183291732 /nfs/dbraw/zinc/29/17/32/1183291732.db2.gz JWDSLRLSUFYORB-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001733360743 1183409804 /nfs/dbraw/zinc/40/98/04/1183409804.db2.gz YUZXZZZMYFQHRO-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001733761633 1183524504 /nfs/dbraw/zinc/52/45/04/1183524504.db2.gz WSZHZKKXRKAYTP-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001733772499 1183528988 /nfs/dbraw/zinc/52/89/88/1183528988.db2.gz DWRIVWWAVCYEKU-OAHLLOKOSA-N 2 0 281.444 1.826 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001733976126 1183596634 /nfs/dbraw/zinc/59/66/34/1183596634.db2.gz BTJCPRJUAOHZLC-ZIAGYGMSSA-N 2 0 293.455 1.755 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733988295 1183603577 /nfs/dbraw/zinc/60/35/77/1183603577.db2.gz YCZSSTVWDXJJKQ-KBPBESRZSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)CC[NH+](C)C)C(C)C ZINC001734080252 1183650043 /nfs/dbraw/zinc/65/00/43/1183650043.db2.gz JDMXBVJQIQIRGO-AWEZNQCLSA-N 2 0 267.417 1.034 10 30 CDEERP C#CC[N@H+]1CC=C(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001734636605 1183855176 /nfs/dbraw/zinc/85/51/76/1183855176.db2.gz JNFRWMSLCRZZNH-UHFFFAOYSA-N 2 0 289.423 1.244 10 30 CDEERP C=CC[C@@H]1CCN1CC(=O)NC[C@@H](C)[N@@H+]1CC[C@H]1CC=C ZINC000934463608 822659409 /nfs/dbraw/zinc/65/94/09/822659409.db2.gz XUWFBGUNBMHFCZ-BZUAXINKSA-N 2 0 291.439 1.792 10 30 CDEERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000817914997 828519431 /nfs/dbraw/zinc/51/94/31/828519431.db2.gz FTUVEBAWNYPEGU-AWEZNQCLSA-N 2 0 277.368 1.410 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000876933267 823835763 /nfs/dbraw/zinc/83/57/63/823835763.db2.gz KRORINWIZWJODC-LBPRGKRZSA-N 2 0 267.760 1.862 10 30 CDEERP C=CCNC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923503025 823923157 /nfs/dbraw/zinc/92/31/57/823923157.db2.gz DRVPQJZZWWEFOQ-AWEZNQCLSA-N 2 0 279.428 1.390 10 30 CDEERP C#CC1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000830321709 824020322 /nfs/dbraw/zinc/02/03/22/824020322.db2.gz YDYVYCYXOLBJKU-UHFFFAOYSA-N 2 0 289.423 1.075 10 30 CDEERP C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925635919 824223932 /nfs/dbraw/zinc/22/39/32/824223932.db2.gz VADYBWKITLCEBI-RYUDHWBXSA-N 2 0 274.430 1.083 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000852797082 824325274 /nfs/dbraw/zinc/32/52/74/824325274.db2.gz JXBDEIDRBMDGQF-UHFFFAOYSA-N 2 0 283.375 1.274 10 30 CDEERP COCCN(C)CCNC(=[NH2+])Nc1cccc(C)c1 ZINC000303974609 824381148 /nfs/dbraw/zinc/38/11/48/824381148.db2.gz IBYRLTNCQYMRQJ-UHFFFAOYSA-N 2 0 264.373 1.300 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000876922467 828808402 /nfs/dbraw/zinc/80/84/02/828808402.db2.gz AKWZHJWPERFNMX-CHWSQXEVSA-N 2 0 299.846 1.693 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000876884973 826008338 /nfs/dbraw/zinc/00/83/38/826008338.db2.gz IIFOCPKWGAMOIV-RWMBFGLXSA-N 2 0 285.819 1.399 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876958595 827017315 /nfs/dbraw/zinc/01/73/15/827017315.db2.gz IDLJLOBSLINPEG-MNOVXSKESA-N 2 0 273.808 1.445 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000876530608 827171659 /nfs/dbraw/zinc/17/16/59/827171659.db2.gz XWFNCANQBNNKLK-ZDUSSCGKSA-N 2 0 293.798 1.894 10 30 CDEERP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000104192598 827328094 /nfs/dbraw/zinc/32/80/94/827328094.db2.gz XGCVWFJUQKUXEF-AWEZNQCLSA-N 2 0 276.384 1.524 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000876738096 827850411 /nfs/dbraw/zinc/85/04/11/827850411.db2.gz ZGLHRYQNYRAVLK-WXHSDQCUSA-N 2 0 287.835 1.693 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000876858174 828072102 /nfs/dbraw/zinc/07/21/02/828072102.db2.gz ZXVUFDQRIZVWDS-NSHDSACASA-N 2 0 271.792 1.058 10 30 CDEERP C=C(Cl)CNC(N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)=[NH+]C ZINC000262019999 828089920 /nfs/dbraw/zinc/08/99/20/828089920.db2.gz YPAOYXDTRYLGRA-ZYHUDNBSSA-N 2 0 272.824 1.633 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001565835587 1168178189 /nfs/dbraw/zinc/17/81/89/1168178189.db2.gz PQFKAFMOGUESBC-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001567016757 1168512074 /nfs/dbraw/zinc/51/20/74/1168512074.db2.gz MFIVJGLECSUOPS-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001483693972 912863994 /nfs/dbraw/zinc/86/39/94/912863994.db2.gz JDSQGTWFJILGLY-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001266324932 894390460 /nfs/dbraw/zinc/39/04/60/894390460.db2.gz GNDCNRMONIPONH-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001266344024 894472752 /nfs/dbraw/zinc/47/27/52/894472752.db2.gz BLHLPXHBGCFQFP-ZIAGYGMSSA-N 2 0 276.384 1.601 10 30 CDEERP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001266517476 895196638 /nfs/dbraw/zinc/19/66/38/895196638.db2.gz KICUVBJWKKTRGP-CABCVRRESA-N 2 0 297.418 1.128 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266876231 896264856 /nfs/dbraw/zinc/26/48/56/896264856.db2.gz JMIVNGRMBMJDGE-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001266880820 896267174 /nfs/dbraw/zinc/26/71/74/896267174.db2.gz OWZPQKRFNURMMJ-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001266964748 896456984 /nfs/dbraw/zinc/45/69/84/896456984.db2.gz NZUYEAOUNKIWQR-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267088421 896739341 /nfs/dbraw/zinc/73/93/41/896739341.db2.gz ZRXFALZFAKANMO-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[N@H+](C)CCNC(=O)c1cccc2nccn21 ZINC001267206890 897148045 /nfs/dbraw/zinc/14/80/45/897148045.db2.gz UICSVQCZCOKOBH-UHFFFAOYSA-N 2 0 272.352 1.572 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267578968 898508784 /nfs/dbraw/zinc/50/87/84/898508784.db2.gz ASUQCLUTIUBGFV-KGLIPLIRSA-N 2 0 265.401 1.047 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267595352 898644750 /nfs/dbraw/zinc/64/47/50/898644750.db2.gz QWWYPHHRGXUYRC-CABCVRRESA-N 2 0 279.428 1.034 10 30 CDEERP CC#CC[NH2+]C[C@](C)(NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001267857555 899881710 /nfs/dbraw/zinc/88/17/10/899881710.db2.gz BOADHYDOQDQSIH-PBHICJAKSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+]CCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001267918038 899972346 /nfs/dbraw/zinc/97/23/46/899972346.db2.gz YNOXVYYFIGVJSU-INIZCTEOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267989057 900205567 /nfs/dbraw/zinc/20/55/67/900205567.db2.gz FAZVQUUSPPSUSV-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001481346906 900470268 /nfs/dbraw/zinc/47/02/68/900470268.db2.gz HPSVEGUWFCLBJK-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCCC1 ZINC001268035605 900689990 /nfs/dbraw/zinc/68/99/90/900689990.db2.gz OBBYQLNGKPZQTL-AWEZNQCLSA-N 2 0 297.418 1.318 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001481495493 900922760 /nfs/dbraw/zinc/92/27/60/900922760.db2.gz APSLOTJBRZLXBD-AWEZNQCLSA-N 2 0 267.417 1.295 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001268067315 901090255 /nfs/dbraw/zinc/09/02/55/901090255.db2.gz FBWBRSDNROPEKX-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268249372 901665226 /nfs/dbraw/zinc/66/52/26/901665226.db2.gz SAQBIMRKPMBVGM-OAHLLOKOSA-N 2 0 283.460 1.929 10 30 CDEERP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001481677531 901775397 /nfs/dbraw/zinc/77/53/97/901775397.db2.gz HEBYVUAPBNAXFY-JYJNAYRXSA-N 2 0 293.455 1.968 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CC2CC2)CC1 ZINC001268500275 902411187 /nfs/dbraw/zinc/41/11/87/902411187.db2.gz UYWBHTMNUFHEJP-UHFFFAOYSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001268746559 903074879 /nfs/dbraw/zinc/07/48/79/903074879.db2.gz LOHRRWJVDBTSPN-XJKSGUPXSA-N 2 0 299.434 1.821 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001269057694 903377095 /nfs/dbraw/zinc/37/70/95/903377095.db2.gz ZZDFPYAIUPMYSO-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001269454725 903823171 /nfs/dbraw/zinc/82/31/71/903823171.db2.gz QDHPOYBDWICDRX-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001270021838 904280483 /nfs/dbraw/zinc/28/04/83/904280483.db2.gz JHCUILPQNJKSRR-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001270194952 904433262 /nfs/dbraw/zinc/43/32/62/904433262.db2.gz YEJSDVYQDHEYLP-CQSZACIVSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001270420259 904625057 /nfs/dbraw/zinc/62/50/57/904625057.db2.gz RHLWENAHNNRCFA-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567943928 1169085358 /nfs/dbraw/zinc/08/53/58/1169085358.db2.gz JGIOLXWFLFELBM-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001273578254 921406518 /nfs/dbraw/zinc/40/65/18/921406518.db2.gz OLWWYRLPEYTYJM-CQSZACIVSA-N 2 0 267.417 1.130 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482831292 908410676 /nfs/dbraw/zinc/41/06/76/908410676.db2.gz JSMQYEYJKJKNKK-HUUCEWRRSA-N 2 0 279.428 1.367 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483129715 909714449 /nfs/dbraw/zinc/71/44/49/909714449.db2.gz YVLKJFRTMVCOLN-YPMHNXCESA-N 2 0 285.819 1.175 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)CC[NH+]1CCCCC1 ZINC001567991121 1169110540 /nfs/dbraw/zinc/11/05/40/1169110540.db2.gz WGFBABCDJJOZFO-HNNXBMFYSA-N 2 0 279.428 1.370 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001483384906 911039551 /nfs/dbraw/zinc/03/95/51/911039551.db2.gz SRGASQDIUIQLKX-CQSZACIVSA-N 2 0 283.460 1.977 10 30 CDEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001484106887 915430763 /nfs/dbraw/zinc/43/07/63/915430763.db2.gz JIKFZJHQYXLRQV-RDJZCZTQSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484546954 915875330 /nfs/dbraw/zinc/87/53/30/915875330.db2.gz LOTNDQXJFHGWSL-OAHLLOKOSA-N 2 0 291.439 1.487 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)Cn2cncc2C)CC1 ZINC001484918051 916271331 /nfs/dbraw/zinc/27/13/31/916271331.db2.gz GZSXZCZFVHBNSL-UHFFFAOYSA-N 2 0 276.384 1.348 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001484921021 916276246 /nfs/dbraw/zinc/27/62/46/916276246.db2.gz NQIZMPAYIGXPHH-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001485059384 916460138 /nfs/dbraw/zinc/46/01/38/916460138.db2.gz GDUMHORTGSVXEY-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001485102884 916501826 /nfs/dbraw/zinc/50/18/26/916501826.db2.gz VVLGMOZNTOLMMH-UHFFFAOYSA-N 2 0 279.428 1.082 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCCC)CC1 ZINC001485387677 916938415 /nfs/dbraw/zinc/93/84/15/916938415.db2.gz HLGFTUGGGZNOGF-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001485894618 920555754 /nfs/dbraw/zinc/55/57/54/920555754.db2.gz OOKWUUZXSMNLKE-CQSZACIVSA-N 2 0 293.455 1.709 10 30 CDEERP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001486519076 921093629 /nfs/dbraw/zinc/09/36/29/921093629.db2.gz GQTKJPYKNRNVQH-MRXNPFEDSA-N 2 0 291.439 1.344 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCC1 ZINC001273141073 922836951 /nfs/dbraw/zinc/83/69/51/922836951.db2.gz HKKOBYZNIHLMHM-HNNXBMFYSA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001273644905 923218473 /nfs/dbraw/zinc/21/84/73/923218473.db2.gz HIXRAMJWVLFCGH-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001491251413 936883929 /nfs/dbraw/zinc/88/39/29/936883929.db2.gz PQUCVJIIKMGRGV-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001491360391 936898206 /nfs/dbraw/zinc/89/82/06/936898206.db2.gz GQTYTEPSARHHRQ-UHFFFAOYSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCO1 ZINC001273316789 925848921 /nfs/dbraw/zinc/84/89/21/925848921.db2.gz WWLAHAYRFOTEQL-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001488790100 926713547 /nfs/dbraw/zinc/71/35/47/926713547.db2.gz OPDIZJQZBNVGGC-OAGGEKHMSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1 ZINC001273420397 926981578 /nfs/dbraw/zinc/98/15/78/926981578.db2.gz MBNAOTFJXSQFRI-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[N@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001490394786 927148230 /nfs/dbraw/zinc/14/82/30/927148230.db2.gz ZBLVRZIGSOXXDA-UHFFFAOYSA-N 2 0 279.428 1.629 10 30 CDEERP C#CCN(C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001568497657 1169332647 /nfs/dbraw/zinc/33/26/47/1169332647.db2.gz MBJHPSPDNBNPMF-OAHLLOKOSA-N 2 0 279.428 1.273 10 30 CDEERP CC#CCN(C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001568498848 1169331896 /nfs/dbraw/zinc/33/18/96/1169331896.db2.gz SEVAEIRBHOFWLG-CVEARBPZSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCC[NH2+]C1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001275623504 931912111 /nfs/dbraw/zinc/91/21/11/931912111.db2.gz DNSZRDBWHXCHAQ-UHFFFAOYSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001276468627 939767527 /nfs/dbraw/zinc/76/75/27/939767527.db2.gz LNRPOOGQVMVWIU-AWEZNQCLSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001277201035 942168152 /nfs/dbraw/zinc/16/81/52/942168152.db2.gz OIDNRAIVNGNFJG-JKSUJKDBSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001279581702 942395240 /nfs/dbraw/zinc/39/52/40/942395240.db2.gz GUWYEVXKFUNTHE-INIZCTEOSA-N 2 0 293.455 1.897 10 30 CDEERP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001277360029 942425338 /nfs/dbraw/zinc/42/53/38/942425338.db2.gz NEVAOCNXCKCRDO-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001280755149 942483406 /nfs/dbraw/zinc/48/34/06/942483406.db2.gz CMSMFTVQNPTUPQ-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001281939580 942633953 /nfs/dbraw/zinc/63/39/53/942633953.db2.gz JDIYZQBYGBGWOW-OWCLPIDISA-N 2 0 291.439 1.273 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283611555 942944765 /nfs/dbraw/zinc/94/47/65/942944765.db2.gz FORLJTZTOIXNQB-BFHYXJOUSA-N 2 0 267.417 1.339 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001283620567 942950694 /nfs/dbraw/zinc/95/06/94/942950694.db2.gz WKMQCBCBZQCXJP-LBPRGKRZSA-N 2 0 293.436 1.493 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001284243193 943128754 /nfs/dbraw/zinc/12/87/54/943128754.db2.gz GZRWASJJVQHTCW-LSDHHAIUSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001277756608 943480973 /nfs/dbraw/zinc/48/09/73/943480973.db2.gz PQIUCWFWIPBZMV-UONOGXRCSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001277954342 944209422 /nfs/dbraw/zinc/20/94/22/944209422.db2.gz PBKJJTZOSISXQG-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001265401035 944373298 /nfs/dbraw/zinc/37/32/98/944373298.db2.gz IZRNSJONFQIARC-HNNXBMFYSA-N 2 0 290.411 1.630 10 30 CDEERP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265702744 944474274 /nfs/dbraw/zinc/47/42/74/944474274.db2.gz HJIYSLFMOUJTCO-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266103499 944683225 /nfs/dbraw/zinc/68/32/25/944683225.db2.gz RNRUHRBISHSXLF-MRXNPFEDSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266154838 944721582 /nfs/dbraw/zinc/72/15/82/944721582.db2.gz HEDIUFLLGNSCDS-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479846818 971451516 /nfs/dbraw/zinc/45/15/16/971451516.db2.gz CIMDPMQPGGNYRI-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568998002 1169587138 /nfs/dbraw/zinc/58/71/38/1169587138.db2.gz RNJIIGSJHPUGGR-OLZOCXBDSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001569004825 1169589429 /nfs/dbraw/zinc/58/94/29/1169589429.db2.gz SEOOCWHXRCJPJN-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001279012918 948585957 /nfs/dbraw/zinc/58/59/57/948585957.db2.gz STBDQKKSMHKUQH-HUUCEWRRSA-N 2 0 291.439 1.627 10 30 CDEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001278542607 949860140 /nfs/dbraw/zinc/86/01/40/949860140.db2.gz QYVOQBWIIKNBNW-MRXNPFEDSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001480324078 971671603 /nfs/dbraw/zinc/67/16/03/971671603.db2.gz FGAYYJSINLULBY-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001278689596 951722034 /nfs/dbraw/zinc/72/20/34/951722034.db2.gz FIIMMISBSKETKK-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001569118682 1169664610 /nfs/dbraw/zinc/66/46/10/1169664610.db2.gz UUEALXCXCRBRSM-SOUVJXGZSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001480616194 971809702 /nfs/dbraw/zinc/80/97/02/971809702.db2.gz IMGWHGLYOWFEED-JKSUJKDBSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001480776180 971874562 /nfs/dbraw/zinc/87/45/62/971874562.db2.gz KVVMVEWUUGSVLG-AWEZNQCLSA-N 2 0 293.455 1.757 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001316642465 953705586 /nfs/dbraw/zinc/70/55/86/953705586.db2.gz SISGLOFRLSUCMR-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001325454313 953910931 /nfs/dbraw/zinc/91/09/31/953910931.db2.gz FCFJWFBBVDYXMO-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCC1 ZINC001326903915 954610766 /nfs/dbraw/zinc/61/07/66/954610766.db2.gz YZIQBVBBEDRYRW-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC1 ZINC001326913227 954614343 /nfs/dbraw/zinc/61/43/43/954614343.db2.gz ILDLXZJHWRPHCH-ZDUSSCGKSA-N 2 0 267.417 1.387 10 30 CDEERP C#CCC[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001328429646 955293326 /nfs/dbraw/zinc/29/33/26/955293326.db2.gz SQZDJSSTXPVLPA-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329102396 955685473 /nfs/dbraw/zinc/68/54/73/955685473.db2.gz DDEOKDMCYKFSLV-STQMWFEESA-N 2 0 267.417 1.530 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001492251916 955756657 /nfs/dbraw/zinc/75/66/57/955756657.db2.gz AZINFMORYBSLRA-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001492303820 955788925 /nfs/dbraw/zinc/78/89/25/955788925.db2.gz PPWSMJXWPVJILA-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[N@@H+](CCCNC(=O)CC[C@H]1CCC[NH+]1C)C(C)C ZINC001493860944 972129050 /nfs/dbraw/zinc/12/90/50/972129050.db2.gz XSJVHIVHIFGBOB-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP N#C[C@H]1CC[C@H]([NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001422429549 955996147 /nfs/dbraw/zinc/99/61/47/955996147.db2.gz ARDBIVUIPOBISF-HOTGVXAUSA-N 2 0 291.439 1.991 10 30 CDEERP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001493997699 972157455 /nfs/dbraw/zinc/15/74/55/972157455.db2.gz OLDFUOHUUDRWKT-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001330325996 956380094 /nfs/dbraw/zinc/38/00/94/956380094.db2.gz DTCVYAGEPZALBD-PHZGNYQRSA-N 2 0 293.455 1.588 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480680854 956506646 /nfs/dbraw/zinc/50/66/46/956506646.db2.gz QIBWOKDHCHCSMB-JKSUJKDBSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317510654 956762474 /nfs/dbraw/zinc/76/24/74/956762474.db2.gz RXEPYWWWCGHNJO-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001316887246 956873811 /nfs/dbraw/zinc/87/38/11/956873811.db2.gz QDIWLMOUWGQIJY-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001316841663 957067451 /nfs/dbraw/zinc/06/74/51/957067451.db2.gz QKIHEDHHKPAXRT-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001317100469 957269316 /nfs/dbraw/zinc/26/93/16/957269316.db2.gz RHWLLTDEOKMGII-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCC[NH+]1CCCC1 ZINC001331921062 957336096 /nfs/dbraw/zinc/33/60/96/957336096.db2.gz HBVKUSZXTWZSIK-UHFFFAOYSA-N 2 0 253.390 1.096 10 30 CDEERP C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001317403879 957456046 /nfs/dbraw/zinc/45/60/46/957456046.db2.gz HKCMQEVWEQBPGG-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+](C)C(C)C ZINC001317434255 957469020 /nfs/dbraw/zinc/46/90/20/957469020.db2.gz KXUKLJSKPNTQML-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH+]1CCC(C2(NC(=O)CCC[NH+](C)C)CC2)CC1 ZINC001333179303 958134645 /nfs/dbraw/zinc/13/46/45/958134645.db2.gz CWTKNTHFEFTFAV-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001494875787 972328153 /nfs/dbraw/zinc/32/81/53/972328153.db2.gz KGQKXQAJTQDAEV-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001318725860 958245196 /nfs/dbraw/zinc/24/51/96/958245196.db2.gz DWJHARCDQOSASA-INIZCTEOSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319478207 958586407 /nfs/dbraw/zinc/58/64/07/958586407.db2.gz SELXGDKXNNPGAJ-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001319943427 958801500 /nfs/dbraw/zinc/80/15/00/958801500.db2.gz JMQFUNKQXMUIRU-ZDUSSCGKSA-N 2 0 267.417 1.245 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001320152303 958975270 /nfs/dbraw/zinc/97/52/70/958975270.db2.gz KICOYGVMGQGVDE-GJZGRUSLSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001321334524 959728281 /nfs/dbraw/zinc/72/82/81/959728281.db2.gz AWJBHBONZQWOEI-UWUBPMADSA-N 2 0 291.439 1.392 10 30 CDEERP C#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001495247815 972457290 /nfs/dbraw/zinc/45/72/90/972457290.db2.gz FYWXPJHVIPGDKW-NVXWUHKLSA-N 2 0 291.439 1.367 10 30 CDEERP C=CCCC[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001322512031 960246184 /nfs/dbraw/zinc/24/61/84/960246184.db2.gz PFUJLGBUEVXIQE-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001560217122 960885628 /nfs/dbraw/zinc/88/56/28/960885628.db2.gz FXRITNSXTOIQSQ-UHFFFAOYSA-N 2 0 252.402 1.875 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001479412931 963918804 /nfs/dbraw/zinc/91/88/04/963918804.db2.gz ACBHWWUQCKYJIP-SHTZXODSSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[C@]1(C(=O)NC2CC3(CC([NH3+])C3)C2)CCC[NH2+]1 ZINC001343429196 963979695 /nfs/dbraw/zinc/97/96/95/963979695.db2.gz FWKYKRQCKZGZGG-HKTMVNTCSA-N 2 0 263.385 1.071 10 30 CDEERP C=CC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001479690423 964215374 /nfs/dbraw/zinc/21/53/74/964215374.db2.gz ORJNTVFNPJVASX-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001447889752 966918328 /nfs/dbraw/zinc/91/83/28/966918328.db2.gz AZMVRIGMIXKILC-VXGBXAGGSA-N 2 0 275.824 1.564 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1C#N ZINC001464693090 969808099 /nfs/dbraw/zinc/80/80/99/969808099.db2.gz HSBUHVODKOBZRE-RBSFLKMASA-N 2 0 292.427 1.021 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001496625562 972997011 /nfs/dbraw/zinc/99/70/11/972997011.db2.gz AZVSHMMWWMZFKJ-GJZGRUSLSA-N 2 0 281.444 1.635 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001497329514 973287397 /nfs/dbraw/zinc/28/73/97/973287397.db2.gz CAADNWKEGTVHME-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001498289432 973810613 /nfs/dbraw/zinc/81/06/13/973810613.db2.gz RLGZNMXPVAPHOY-MELADBBJSA-N 2 0 267.417 1.339 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001498490225 973946425 /nfs/dbraw/zinc/94/64/25/973946425.db2.gz NLGIKBBFGXFTFQ-JKSUJKDBSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001498499008 973949793 /nfs/dbraw/zinc/94/97/93/973949793.db2.gz SOZMTAYDYLEQCB-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001502145796 974705734 /nfs/dbraw/zinc/70/57/34/974705734.db2.gz YSVPEFBZSHVNSI-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001502515985 974746408 /nfs/dbraw/zinc/74/64/08/974746408.db2.gz VTBILAODFQCZNJ-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001505725080 974974488 /nfs/dbraw/zinc/97/44/88/974974488.db2.gz OYFZRFRBMARPAF-GJZGRUSLSA-N 2 0 293.455 1.613 10 30 CDEERP C=CCC[NH+]1CCCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001506865757 975237038 /nfs/dbraw/zinc/23/70/38/975237038.db2.gz MFLVWUCHSHWENR-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP CC#CC[NH+]1CCC([C@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001508083476 975601994 /nfs/dbraw/zinc/60/19/94/975601994.db2.gz WHJUEWZFYYOELC-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(Cl)CN1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001399929254 976753697 /nfs/dbraw/zinc/75/36/97/976753697.db2.gz HGJSLWYKKGPUMN-TZMCWYRMSA-N 2 0 299.846 1.519 10 30 CDEERP C=CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001675263222 1174090890 /nfs/dbraw/zinc/09/08/90/1174090890.db2.gz NRBHYFMVCNJFNY-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001675903990 1174163552 /nfs/dbraw/zinc/16/35/52/1174163552.db2.gz PLVRQVCBSVADDK-ZFWWWQNUSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001676991709 1174306811 /nfs/dbraw/zinc/30/68/11/1174306811.db2.gz YJIUMPZTPSOYLU-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001571182168 1170344933 /nfs/dbraw/zinc/34/49/33/1170344933.db2.gz YJALQTBMNGTUDP-FPCVCCKLSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001571465569 1170440874 /nfs/dbraw/zinc/44/08/74/1170440874.db2.gz HFYSZIHGUGDCOM-CABCVRRESA-N 2 0 291.439 1.627 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001656150477 1171778203 /nfs/dbraw/zinc/77/82/03/1171778203.db2.gz LDBWXKJCDDZOHK-GASCZTMLSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001656200689 1171791811 /nfs/dbraw/zinc/79/18/11/1171791811.db2.gz HFFKQUPEQFFPBW-YHUYYLMFSA-N 2 0 293.455 1.777 10 30 CDEERP N#Cc1cnccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000592494258 342696718 /nfs/dbraw/zinc/69/67/18/342696718.db2.gz OIEKELLMSPEWGH-UONOGXRCSA-N 2 0 270.380 1.775 10 30 CDEERP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594428016 342897572 /nfs/dbraw/zinc/89/75/72/342897572.db2.gz YWXRSJCDAUIYOZ-RYUDHWBXSA-N 2 0 254.378 1.031 10 30 CDEERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594440680 342907075 /nfs/dbraw/zinc/90/70/75/342907075.db2.gz HSFYJHPGGYKILR-QWHCGFSZSA-N 2 0 268.405 1.244 10 30 CDEERP CCC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594440647 342907186 /nfs/dbraw/zinc/90/71/86/342907186.db2.gz HICFTWLJYJANRR-OAHLLOKOSA-N 2 0 294.443 1.730 10 30 CDEERP C[C@@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594444841 342908339 /nfs/dbraw/zinc/90/83/39/342908339.db2.gz ZCRCTVMMZUHIPX-NWDGAFQWSA-N 2 0 254.378 1.031 10 30 CDEERP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594449017 342909179 /nfs/dbraw/zinc/90/91/79/342909179.db2.gz BXHFELVNMHYUIZ-CQSZACIVSA-N 2 0 280.416 1.198 10 30 CDEERP C[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N1CCCC1 ZINC000071799776 356964119 /nfs/dbraw/zinc/96/41/19/356964119.db2.gz VBSKXMCCCLQBCH-CQSZACIVSA-N 2 0 282.432 1.014 10 30 CDEERP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528475007 367854107 /nfs/dbraw/zinc/85/41/07/367854107.db2.gz JTOGRKQJNIJKRP-UONOGXRCSA-N 2 0 265.401 1.457 10 30 CDEERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCSCC#N)CC1 ZINC000173885588 261172626 /nfs/dbraw/zinc/17/26/26/261172626.db2.gz DUAJSKJCFZYOBB-CQSZACIVSA-N 2 0 299.484 1.658 10 30 CDEERP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001662861547 1172604508 /nfs/dbraw/zinc/60/45/08/1172604508.db2.gz BJBVGIACICYWAN-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001663548177 1172721810 /nfs/dbraw/zinc/72/18/10/1172721810.db2.gz PETRGWFCXGHPML-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001664468055 1172857269 /nfs/dbraw/zinc/85/72/69/1172857269.db2.gz SNJFEAOVBPUEHF-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[C@]1(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662680153 413298562 /nfs/dbraw/zinc/29/85/62/413298562.db2.gz GLRYBMAETVXHGV-GDBMZVCRSA-N 2 0 279.428 1.533 10 30 CDEERP CC[NH+](CC)CC#C[C@@H](C[NH+]1CCCC1)N1CCCC1 ZINC000022035592 171350277 /nfs/dbraw/zinc/35/02/77/171350277.db2.gz DKMIWYRCPXRAJT-KRWDZBQOSA-N 2 0 277.456 1.892 10 30 CDEERP [NH3+]CC#Cc1csc(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000043689004 175095751 /nfs/dbraw/zinc/09/57/51/175095751.db2.gz ZHQYUITUKGSNHJ-GFCCVEGCSA-N 2 0 250.367 1.015 10 30 CDEERP N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044531163 175195676 /nfs/dbraw/zinc/19/56/76/175195676.db2.gz JOTWWMYYIXKYJC-CQSZACIVSA-N 2 0 286.379 1.558 10 30 CDEERP C[N@H+](CCOc1ccc(C#N)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071189125 176064757 /nfs/dbraw/zinc/06/47/57/176064757.db2.gz ZLZYWKLWKXPGBS-OAHLLOKOSA-N 2 0 273.380 1.821 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001666551941 1173150312 /nfs/dbraw/zinc/15/03/12/1173150312.db2.gz AKJXKDMRMUFROI-RRFJBIMHSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001666652591 1173166928 /nfs/dbraw/zinc/16/69/28/1173166928.db2.gz VNDIKXONJMQJGZ-KBPBESRZSA-N 2 0 269.433 1.491 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662682237 424312387 /nfs/dbraw/zinc/31/23/87/424312387.db2.gz OXSRYXBJNPTEFX-XJKSGUPXSA-N 2 0 277.412 1.285 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001667306254 1173251843 /nfs/dbraw/zinc/25/18/43/1173251843.db2.gz AWTOFMWAAIDJQI-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001669091232 1173502859 /nfs/dbraw/zinc/50/28/59/1173502859.db2.gz HTGIOTJIAGISTO-AATRIKPKSA-N 2 0 287.407 1.810 10 30 CDEERP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001671648428 1173700150 /nfs/dbraw/zinc/70/01/50/1173700150.db2.gz HHTJWKZXBSLFLP-ZBFHGGJFSA-N 2 0 297.418 1.270 10 30 CDEERP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001672562653 1173783768 /nfs/dbraw/zinc/78/37/68/1173783768.db2.gz CJVHYOXLWYZTEO-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001673491077 1173863960 /nfs/dbraw/zinc/86/39/60/1173863960.db2.gz AIHVOMJQNOZFOT-UHFFFAOYSA-N 2 0 267.417 1.130 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171907754 329081989 /nfs/dbraw/zinc/08/19/89/329081989.db2.gz XDPXEHJPNPFVIX-HNNXBMFYSA-N 2 0 292.427 1.126 10 30 CDEERP C[C@@H]1CCC[C@@](CNC(=[NH2+])NC[C@H]2CCCO2)([NH+](C)C)C1 ZINC000261982778 329994092 /nfs/dbraw/zinc/99/40/92/329994092.db2.gz PIHBGJCDFLIXPR-IIAWOOMASA-N 2 0 296.459 1.580 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262332740 330006620 /nfs/dbraw/zinc/00/66/20/330006620.db2.gz FRDYHBJEAVUERX-STQMWFEESA-N 2 0 265.401 1.141 10 30 CDEERP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262454756 330014210 /nfs/dbraw/zinc/01/42/10/330014210.db2.gz KUQMDBZUNKOAMG-KGLIPLIRSA-N 2 0 282.432 1.142 10 30 CDEERP C=CCOc1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)cc1Cl ZINC000263288527 330051798 /nfs/dbraw/zinc/05/17/98/330051798.db2.gz VKJXHNHRTGXOHQ-GXTWGEPZSA-N 2 0 296.798 1.575 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000567802080 334762357 /nfs/dbraw/zinc/76/23/57/334762357.db2.gz UUPVEAVVTIUQJP-UHFFFAOYSA-N 2 0 295.427 1.040 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267386808 1159359665 /nfs/dbraw/zinc/35/96/65/1159359665.db2.gz VWLOUOAWIHMOIV-CYBMUJFWSA-N 2 0 287.835 1.661 10 30 CDEERP C=C(C)[C@@H](CO)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000678049971 482910457 /nfs/dbraw/zinc/91/04/57/482910457.db2.gz RNJSTEUPGYYKBV-OAHLLOKOSA-N 2 0 254.418 1.976 10 30 CDEERP C#CCC[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001712975691 1178281168 /nfs/dbraw/zinc/28/11/68/1178281168.db2.gz KLTRVCCOJIRLRO-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001691685990 1161561274 /nfs/dbraw/zinc/56/12/74/1161561274.db2.gz DWIJBQQLADQNQX-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001691691726 1161570676 /nfs/dbraw/zinc/57/06/76/1161570676.db2.gz CXGZLCBYKNZVEI-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717487618 1180703070 /nfs/dbraw/zinc/70/30/70/1180703070.db2.gz UPIYBWBWQIBHNZ-ZIAGYGMSSA-N 2 0 269.433 1.585 10 30 CDEERP CC[N@H+](CCOC)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609724 521135102 /nfs/dbraw/zinc/13/51/02/521135102.db2.gz MPNONJKWYZFZBY-UHFFFAOYSA-N 2 0 264.344 1.604 10 30 CDEERP CC[C@@H](C)[NH+]1CCN(Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000055069290 522127349 /nfs/dbraw/zinc/12/73/49/522127349.db2.gz GLHNBVPTXFYACY-CQSZACIVSA-N 2 0 291.464 1.974 10 30 CDEERP COC[C@H](C)[N@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609568 522593704 /nfs/dbraw/zinc/59/37/04/522593704.db2.gz CLNQJILKAAAKDB-AWEZNQCLSA-N 2 0 276.380 1.342 10 30 CDEERP COCC[N@H+](Cc1ccccc1C#CC[NH3+])C1CC1 ZINC000049609701 523757423 /nfs/dbraw/zinc/75/74/23/523757423.db2.gz ABUBHVUOWAHWEY-UHFFFAOYSA-N 2 0 258.365 1.608 10 30 CDEERP C=CC[C@@H](CO)C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000344323509 527080185 /nfs/dbraw/zinc/08/01/85/527080185.db2.gz IMOOSBMYJJCBBA-CQSZACIVSA-N 2 0 286.379 1.850 10 30 CDEERP [NH3+]CC#Cc1cc(C[N@@H+]2CCCC[C@H]2CO)ccc1F ZINC000049609794 527147037 /nfs/dbraw/zinc/14/70/37/527147037.db2.gz GDZCBXHPESIUQC-HNNXBMFYSA-N 2 0 276.355 1.483 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000049608322 527148190 /nfs/dbraw/zinc/14/81/90/527148190.db2.gz AQXIOJSOIGUUDP-INIZCTEOSA-N 2 0 258.365 1.201 10 30 CDEERP [NH3+]CC#Cc1ccccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000049608320 527153136 /nfs/dbraw/zinc/15/31/36/527153136.db2.gz NTLGJOZWDIXCBU-AWEZNQCLSA-N 2 0 258.365 1.201 10 30 CDEERP C#CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001685856484 1174690200 /nfs/dbraw/zinc/69/02/00/1174690200.db2.gz XQGMZDGAMXRLRR-UHFFFAOYSA-N 2 0 289.423 1.028 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000764568823 575921471 /nfs/dbraw/zinc/92/14/71/575921471.db2.gz CKAZVASLMLPPIJ-GXTWGEPZSA-N 2 0 267.417 1.293 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941157720 613781529 /nfs/dbraw/zinc/78/15/29/613781529.db2.gz FSCZWXIKVJGPHX-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000925837327 617867900 /nfs/dbraw/zinc/86/79/00/617867900.db2.gz GCEONFZDBDZGFJ-HNNXBMFYSA-N 2 0 261.369 1.710 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000900009419 622629666 /nfs/dbraw/zinc/62/96/66/622629666.db2.gz HRKOYTGJVSFDSA-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000900277819 622849512 /nfs/dbraw/zinc/84/95/12/622849512.db2.gz GJUCAFHMCVXLSZ-UHFFFAOYSA-N 2 0 265.401 1.049 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000900289526 622856467 /nfs/dbraw/zinc/85/64/67/622856467.db2.gz UBOUCIFPPXXMTA-AWEZNQCLSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001699974312 1158869038 /nfs/dbraw/zinc/86/90/38/1158869038.db2.gz ZQKDNJWXMGYCGM-HOTGVXAUSA-N 2 0 293.455 1.426 10 30 CDEERP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001266859335 1158914081 /nfs/dbraw/zinc/91/40/81/1158914081.db2.gz XQFSDRDAMRDINM-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266866759 1158927661 /nfs/dbraw/zinc/92/76/61/1158927661.db2.gz DMWVSNOJEVSEOH-RBSFLKMASA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001691409401 1159057674 /nfs/dbraw/zinc/05/76/74/1159057674.db2.gz DGPQBWNXJSCQKO-ZIAGYGMSSA-N 2 0 265.401 1.047 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001690408152 1158489894 /nfs/dbraw/zinc/48/98/94/1158489894.db2.gz ZALRZWTWKHSGGG-LSDHHAIUSA-N 2 0 297.418 1.128 10 30 CDEERP C=CC[N@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001690996366 1158517933 /nfs/dbraw/zinc/51/79/33/1158517933.db2.gz APLAVYNZCSBPFT-UHFFFAOYSA-N 2 0 267.417 1.487 10 30 CDEERP C#CC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266533246 1158599690 /nfs/dbraw/zinc/59/96/90/1158599690.db2.gz GMWOLUBMKFVSPZ-CQSZACIVSA-N 2 0 279.428 1.036 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001482115697 1159983580 /nfs/dbraw/zinc/98/35/80/1159983580.db2.gz OVBAJRXPASACIN-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001566682548 1168386825 /nfs/dbraw/zinc/38/68/25/1168386825.db2.gz DEJNHSDOXCIUGJ-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001566939624 1168475355 /nfs/dbraw/zinc/47/53/55/1168475355.db2.gz IBXGJSFPOWKHSH-MRXNPFEDSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001649445257 1169255564 /nfs/dbraw/zinc/25/55/64/1169255564.db2.gz JPHMCEAJHWNWIJ-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001570216047 1170114231 /nfs/dbraw/zinc/11/42/31/1170114231.db2.gz SVZRPBHWRYEPFC-HNNXBMFYSA-N 2 0 279.428 1.132 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001570361514 1170143325 /nfs/dbraw/zinc/14/33/25/1170143325.db2.gz FOAJFMHZXQARAG-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001570540224 1170183429 /nfs/dbraw/zinc/18/34/29/1170183429.db2.gz MGNALFNKNRRFAJ-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001571536275 1170469549 /nfs/dbraw/zinc/46/95/49/1170469549.db2.gz MUQOZNCFQPEDRI-ZIAGYGMSSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001656452175 1171825873 /nfs/dbraw/zinc/82/58/73/1171825873.db2.gz DMGWKAQVQVNNEG-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001662516645 1172556379 /nfs/dbraw/zinc/55/63/79/1172556379.db2.gz MOBZIUXQRHZBBU-ZFWWWQNUSA-N 2 0 290.411 1.737 10 30 CDEERP C=C(C)CC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001663180110 1172652367 /nfs/dbraw/zinc/65/23/67/1172652367.db2.gz JLIHSMSATXNHJL-OAHLLOKOSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C/C=C/Cl)CC1 ZINC001664391298 1172847115 /nfs/dbraw/zinc/84/71/15/1172847115.db2.gz HHZLHOXDENFCIS-QPJJXVBHSA-N 2 0 297.830 1.132 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC001585123860 1172879844 /nfs/dbraw/zinc/87/98/44/1172879844.db2.gz VNNKOXFDGWCKDJ-OAHLLOKOSA-N 2 0 283.460 1.977 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001664818822 1172915965 /nfs/dbraw/zinc/91/59/65/1172915965.db2.gz WOKLDCHGLNJXPU-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP CC#CC[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001664891505 1172923252 /nfs/dbraw/zinc/92/32/52/1172923252.db2.gz YLSMDBDGBVSVHZ-UHFFFAOYSA-N 2 0 279.428 1.132 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001666000336 1173100167 /nfs/dbraw/zinc/10/01/67/1173100167.db2.gz NUMOKEJPFBIWSX-NVXWUHKLSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001667771229 1173322312 /nfs/dbraw/zinc/32/23/12/1173322312.db2.gz QNZIYFHUKQKSLD-JKSUJKDBSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001668117395 1173370512 /nfs/dbraw/zinc/37/05/12/1173370512.db2.gz HVUVFHZSZBQMPO-KBPBESRZSA-N 2 0 290.411 1.506 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001676256077 1174196693 /nfs/dbraw/zinc/19/66/93/1174196693.db2.gz MFYDWBCRTLQKCX-MRXNPFEDSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001677306529 1174346174 /nfs/dbraw/zinc/34/61/74/1174346174.db2.gz KUMXBLDYACCRIF-KBPBESRZSA-N 2 0 279.428 1.082 10 30 CDEERP CCN(CCC[NH+](CC)CC)C(=O)NCC#CC[NH+](C)C ZINC001684871475 1174663783 /nfs/dbraw/zinc/66/37/83/1174663783.db2.gz KAAJGFGFWJJBRQ-UHFFFAOYSA-N 2 0 296.459 1.315 10 30 CDEERP C=C(C)C[NH+](CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001690012526 1175346162 /nfs/dbraw/zinc/34/61/62/1175346162.db2.gz ICWNWWZWHGALBV-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001690455979 1175475002 /nfs/dbraw/zinc/47/50/02/1175475002.db2.gz ZUGAVSVLSQJWSY-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001690842899 1175588506 /nfs/dbraw/zinc/58/85/06/1175588506.db2.gz GNWQYESIFNNETG-ZIAGYGMSSA-N 2 0 267.417 1.530 10 30 CDEERP C#CCC[NH+]1CC[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001691909666 1175650180 /nfs/dbraw/zinc/65/01/80/1175650180.db2.gz ZRUINPIIASMRKB-CVEARBPZSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001692169729 1175689993 /nfs/dbraw/zinc/68/99/93/1175689993.db2.gz LEAALXPLDINGMF-ILXRZTDVSA-N 2 0 277.412 1.073 10 30 CDEERP C=CCC[NH2+]C[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001698767034 1175925150 /nfs/dbraw/zinc/92/51/50/1175925150.db2.gz RKBILQJDPGOJPJ-AWEZNQCLSA-N 2 0 281.444 1.636 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001698883817 1175976016 /nfs/dbraw/zinc/97/60/16/1175976016.db2.gz GEQOUJZVVPKQKU-JKSUJKDBSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001698954771 1175993800 /nfs/dbraw/zinc/99/38/00/1175993800.db2.gz WAYPVCZBPLICPC-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001698975185 1176002600 /nfs/dbraw/zinc/00/26/00/1176002600.db2.gz GUEFHSVUWQKUCS-SOUVJXGZSA-N 2 0 279.428 1.080 10 30 CDEERP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001699450213 1176413815 /nfs/dbraw/zinc/41/38/15/1176413815.db2.gz JFWHPSDWELHMHR-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699459343 1176423268 /nfs/dbraw/zinc/42/32/68/1176423268.db2.gz KHUPTARUARUFSZ-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699459234 1176423406 /nfs/dbraw/zinc/42/34/06/1176423406.db2.gz JINUPYOWWKFAEO-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001699825811 1176642595 /nfs/dbraw/zinc/64/25/95/1176642595.db2.gz OZSOMNHQVRNVSE-OAHLLOKOSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001699972687 1176703922 /nfs/dbraw/zinc/70/39/22/1176703922.db2.gz MRLGJWHBMKSXPP-GJZGRUSLSA-N 2 0 281.444 1.588 10 30 CDEERP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001700366087 1176876126 /nfs/dbraw/zinc/87/61/26/1176876126.db2.gz ZURQPUHPVXUTAH-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001700887620 1177179083 /nfs/dbraw/zinc/17/90/83/1177179083.db2.gz JXDAGXNSJNGJDA-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001712947131 1178259987 /nfs/dbraw/zinc/25/99/87/1178259987.db2.gz NWMLTPUMSOPVDO-AWEZNQCLSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713278112 1178463452 /nfs/dbraw/zinc/46/34/52/1178463452.db2.gz QYOBLUDYVAGFPH-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001713293482 1178470957 /nfs/dbraw/zinc/47/09/57/1178470957.db2.gz YNJLULIKNDHCIV-UHFFFAOYSA-N 2 0 279.428 1.675 10 30 CDEERP C#CC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)CCC)CCCC[C@H]1C ZINC001714189015 1179008535 /nfs/dbraw/zinc/00/85/35/1179008535.db2.gz ZOXOYMXMLZNHDT-WBVHZDCISA-N 2 0 293.455 1.616 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001714476773 1179161441 /nfs/dbraw/zinc/16/14/41/1179161441.db2.gz RRDJLUZSSWHVGX-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001714971513 1179485521 /nfs/dbraw/zinc/48/55/21/1179485521.db2.gz HAAAJMWAXRULIT-CYBMUJFWSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001715422905 1179662553 /nfs/dbraw/zinc/66/25/53/1179662553.db2.gz VOQWNXSIDWYACX-KBPBESRZSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CN(CC)CCO1 ZINC001715537314 1179707603 /nfs/dbraw/zinc/70/76/03/1179707603.db2.gz QJGFBMMLOODXSK-OAHLLOKOSA-N 2 0 297.443 1.064 10 30 CDEERP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001716670086 1180355558 /nfs/dbraw/zinc/35/55/58/1180355558.db2.gz APISBLNKZAAHQF-CQSZACIVSA-N 2 0 265.401 1.239 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001716698944 1180377426 /nfs/dbraw/zinc/37/74/26/1180377426.db2.gz YFVAADMCPUSTJY-UHFFFAOYSA-N 2 0 277.412 1.287 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001716769711 1180406839 /nfs/dbraw/zinc/40/68/39/1180406839.db2.gz FEHCHHSNZASNIH-CABCVRRESA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001716873897 1180449169 /nfs/dbraw/zinc/44/91/69/1180449169.db2.gz CIBBVSSDIGRDNW-KRWDZBQOSA-N 2 0 293.455 1.426 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001717106764 1180532673 /nfs/dbraw/zinc/53/26/73/1180532673.db2.gz RHWNGAHCHCGJEL-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001717149842 1180549192 /nfs/dbraw/zinc/54/91/92/1180549192.db2.gz DRGPPYIHFIBWOT-OAHLLOKOSA-N 2 0 291.439 1.511 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001717152750 1180550931 /nfs/dbraw/zinc/55/09/31/1180550931.db2.gz HKVKATPPLFSDBW-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001717624861 1180762543 /nfs/dbraw/zinc/76/25/43/1180762543.db2.gz UZHXBDDRKRQFRT-HRCADAONSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001717839931 1180888772 /nfs/dbraw/zinc/88/87/72/1180888772.db2.gz DVEWAYFEVXFZKW-GDBMZVCRSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001717862048 1180900559 /nfs/dbraw/zinc/90/05/59/1180900559.db2.gz DZMQHDSEVLHSAH-GJZGRUSLSA-N 2 0 279.428 1.319 10 30 CDEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001717995716 1180962346 /nfs/dbraw/zinc/96/23/46/1180962346.db2.gz XSTNZDAKARGWCT-FXQLRMTLSA-N 2 0 293.455 1.872 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1CC ZINC001723384342 1181545872 /nfs/dbraw/zinc/54/58/72/1181545872.db2.gz ICWRCNOISDWKLJ-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001724545499 1181692265 /nfs/dbraw/zinc/69/22/65/1181692265.db2.gz PYPPWXZSHANITO-GOEBONIOSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001724588533 1181699749 /nfs/dbraw/zinc/69/97/49/1181699749.db2.gz VAEAZZKHNCSNMI-CABCVRRESA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001725066052 1181842421 /nfs/dbraw/zinc/84/24/21/1181842421.db2.gz ZEEOXPLHBRZMIY-AVVWSFFYSA-N 2 0 291.439 1.389 10 30 CDEERP C#CC[NH+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001725240413 1181933095 /nfs/dbraw/zinc/93/30/95/1181933095.db2.gz LRLFEZCERZPIBT-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725406962 1181990883 /nfs/dbraw/zinc/99/08/83/1181990883.db2.gz FRBBWTHBZFMAGI-KBPBESRZSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725406914 1181991170 /nfs/dbraw/zinc/99/11/70/1181991170.db2.gz FHEFFIYARNGMNC-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+][C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001725445947 1182003240 /nfs/dbraw/zinc/00/32/40/1182003240.db2.gz KFNFUGPAKYTGNQ-HZPDHXFCSA-N 2 0 293.455 1.472 10 30 CDEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001725463483 1182009119 /nfs/dbraw/zinc/00/91/19/1182009119.db2.gz FWSGJFWPHTUHQC-INIZCTEOSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001731454676 1182397220 /nfs/dbraw/zinc/39/72/20/1182397220.db2.gz JNNVKSZZRXAIIW-WKILWMFISA-N 2 0 293.455 1.920 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001731498472 1182420350 /nfs/dbraw/zinc/42/03/50/1182420350.db2.gz NCCFRTKCLKWGKQ-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001731784196 1182576853 /nfs/dbraw/zinc/57/68/53/1182576853.db2.gz XUXNADYAIJNXMR-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C#CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001731883950 1182650300 /nfs/dbraw/zinc/65/03/00/1182650300.db2.gz BVXSOSZKVBIHFJ-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001731937595 1182687505 /nfs/dbraw/zinc/68/75/05/1182687505.db2.gz BDGWQTJPMSJKGO-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001732051910 1182740416 /nfs/dbraw/zinc/74/04/16/1182740416.db2.gz BQUOZJSKAYTPAR-HZPDHXFCSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001732203612 1182854536 /nfs/dbraw/zinc/85/45/36/1182854536.db2.gz QCIOFJRXABWGCP-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001732529743 1182996834 /nfs/dbraw/zinc/99/68/34/1182996834.db2.gz FIHALPQUTGSBAN-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001732605451 1183044068 /nfs/dbraw/zinc/04/40/68/1183044068.db2.gz ITCXPFWLIRIWRR-KBPBESRZSA-N 2 0 265.401 1.047 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001732680204 1183080847 /nfs/dbraw/zinc/08/08/47/1183080847.db2.gz FAKPYERVZPGSIA-RYUDHWBXSA-N 2 0 273.808 1.318 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001732703085 1183093069 /nfs/dbraw/zinc/09/30/69/1183093069.db2.gz TUMSOABBJCSSBH-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001732719583 1183098855 /nfs/dbraw/zinc/09/88/55/1183098855.db2.gz MMKFXXXDPINFOV-KKUMJFAQSA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001733130354 1183301320 /nfs/dbraw/zinc/30/13/20/1183301320.db2.gz CHPOTMIIKWAJEA-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001733337026 1183400492 /nfs/dbraw/zinc/40/04/92/1183400492.db2.gz IJFVSBIQUMYDJT-GJZGRUSLSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001733410667 1183424431 /nfs/dbraw/zinc/42/44/31/1183424431.db2.gz JDLLJFOYLGARLD-GOEBONIOSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001733605961 1183477292 /nfs/dbraw/zinc/47/72/92/1183477292.db2.gz GICPVGBHEMGJSG-KGLIPLIRSA-N 2 0 265.401 1.189 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001733939167 1183577379 /nfs/dbraw/zinc/57/73/79/1183577379.db2.gz WCNLGYORPBNVJP-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001611392250 1165493019 /nfs/dbraw/zinc/49/30/19/1165493019.db2.gz LPZRDWJIGGPGFO-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCN(C)CCC[NH2+]CC1CC[NH+](CC)CC1 ZINC001621362889 1165688652 /nfs/dbraw/zinc/68/86/52/1165688652.db2.gz UZCHKXPGGLVSKJ-UHFFFAOYSA-N 2 0 251.418 1.263 10 30 CDEERP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000867962735 828830049 /nfs/dbraw/zinc/83/00/49/828830049.db2.gz AQJMULPTIBDOMA-GDBMZVCRSA-N 2 0 298.390 1.003 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000876745706 830040442 /nfs/dbraw/zinc/04/04/42/830040442.db2.gz KCTAQDOBTGQTCW-AWEZNQCLSA-N 2 0 299.846 1.933 10 30 CDEERP CCCCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCOC ZINC000303973412 830316028 /nfs/dbraw/zinc/31/60/28/830316028.db2.gz GUGVXQDQBLMBLY-AWEZNQCLSA-N 2 0 284.448 1.582 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000876772010 830569991 /nfs/dbraw/zinc/56/99/91/830569991.db2.gz FOOSDBKGNPALAO-TUAOUCFPSA-N 2 0 273.808 1.397 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000876504352 833634403 /nfs/dbraw/zinc/63/44/03/833634403.db2.gz XHYVQTIYLGJKMT-LLVKDONJSA-N 2 0 253.733 1.554 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000876725797 832378425 /nfs/dbraw/zinc/37/84/25/832378425.db2.gz XRYNULZSKNWSNH-LBPRGKRZSA-N 2 0 273.808 1.257 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000876768112 833873758 /nfs/dbraw/zinc/87/37/58/833873758.db2.gz DMJQRLUJBKLDET-UONOGXRCSA-N 2 0 299.846 1.933 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000876756098 835361049 /nfs/dbraw/zinc/36/10/49/835361049.db2.gz ZKADIPZGOKFSRI-CHWSQXEVSA-N 2 0 285.819 1.543 10 30 CDEERP C=CCOCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925633436 835392129 /nfs/dbraw/zinc/39/21/29/835392129.db2.gz WJCMGCOCVXLJFD-LSDHHAIUSA-N 2 0 252.402 1.947 10 30 CDEERP C#CCNC(=O)C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702573 835651053 /nfs/dbraw/zinc/65/10/53/835651053.db2.gz QLYKBOCQPZDUTN-UHFFFAOYSA-N 2 0 279.428 1.036 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001565874068 1168062510 /nfs/dbraw/zinc/06/25/10/1168062510.db2.gz FMQNWNLXNWOGNG-HDJSIYSDSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001565878102 1168065074 /nfs/dbraw/zinc/06/50/74/1168065074.db2.gz KZUUFHMSQJCZFN-JYJNAYRXSA-N 2 0 293.455 1.777 10 30 CDEERP C#CC[NH+](CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001566604151 1168354568 /nfs/dbraw/zinc/35/45/68/1168354568.db2.gz PUQIQUKSVGTNDI-GASCZTMLSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001566754759 1168409501 /nfs/dbraw/zinc/40/95/01/1168409501.db2.gz MQNXBNYBQHJADC-GASCZTMLSA-N 2 0 291.439 1.580 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001566806971 1168429834 /nfs/dbraw/zinc/42/98/34/1168429834.db2.gz SNDDMIBYOWQFNG-JYJNAYRXSA-N 2 0 291.439 1.509 10 30 CDEERP C=CC[NH+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001566871675 1168453567 /nfs/dbraw/zinc/45/35/67/1168453567.db2.gz IQNZLYQZRMJECF-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C1CCC(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001566983871 1168487773 /nfs/dbraw/zinc/48/77/73/1168487773.db2.gz DDLGJOPRMSEVEE-YMAMQOFZSA-N 2 0 297.418 1.317 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001567094359 1168557963 /nfs/dbraw/zinc/55/79/63/1168557963.db2.gz OPTKMDOZPVVNNT-GJZGRUSLSA-N 2 0 277.412 1.073 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001567265399 1168644063 /nfs/dbraw/zinc/64/40/63/1168644063.db2.gz WMAQKPJYGALFAC-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001567350032 1168695356 /nfs/dbraw/zinc/69/53/56/1168695356.db2.gz BTSJTFUTQXYVSD-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)C1CC1 ZINC001266433697 894850706 /nfs/dbraw/zinc/85/07/06/894850706.db2.gz JHKGBIVBDARMHE-WFASDCNBSA-N 2 0 288.395 1.096 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001266533594 895257215 /nfs/dbraw/zinc/25/72/15/895257215.db2.gz MTGXIRYONLXTQP-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266743385 895954025 /nfs/dbraw/zinc/95/40/25/895954025.db2.gz GVPOKXGXPOVWQW-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001266916774 896336187 /nfs/dbraw/zinc/33/61/87/896336187.db2.gz FDTQSNOBGIFEHI-UHFFFAOYSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001267491889 898147210 /nfs/dbraw/zinc/14/72/10/898147210.db2.gz PMSFZXZVBVYDHR-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001481112769 898884571 /nfs/dbraw/zinc/88/45/71/898884571.db2.gz RZWDBDNNGGYATK-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001267688050 899286204 /nfs/dbraw/zinc/28/62/04/899286204.db2.gz CBKYSCLHHMBDDG-UHFFFAOYSA-N 2 0 291.439 1.629 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267732488 899428920 /nfs/dbraw/zinc/42/89/20/899428920.db2.gz RLVXSSQVCKLOQX-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001567681180 1168913671 /nfs/dbraw/zinc/91/36/71/1168913671.db2.gz NTQVRKFNQGPMEP-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001481260455 899695411 /nfs/dbraw/zinc/69/54/11/899695411.db2.gz RQGYOIJLTWTCAA-UHFFFAOYSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001481304125 900280641 /nfs/dbraw/zinc/28/06/41/900280641.db2.gz JFYJBZOZMCIDMY-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268347772 901909855 /nfs/dbraw/zinc/90/98/55/901909855.db2.gz DYRAMUDCPRRSGC-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001481741000 901985370 /nfs/dbraw/zinc/98/53/70/901985370.db2.gz HKSPZWQFFGVDBC-HZPDHXFCSA-N 2 0 293.455 1.663 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001481775389 902115374 /nfs/dbraw/zinc/11/53/74/902115374.db2.gz UYAMRGDIQRUVOS-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482066694 902596730 /nfs/dbraw/zinc/59/67/30/902596730.db2.gz FOJXQMMJSOBLRJ-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001482157111 902776924 /nfs/dbraw/zinc/77/69/24/902776924.db2.gz SBFCLZZOFJUJPL-AWEZNQCLSA-N 2 0 279.428 1.082 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001268630941 902845057 /nfs/dbraw/zinc/84/50/57/902845057.db2.gz SZXPBKTVFIKJCF-WAYWQWQTSA-N 2 0 277.412 1.148 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001268690553 902970440 /nfs/dbraw/zinc/97/04/40/902970440.db2.gz TXNSHJGYXUOQRH-STQMWFEESA-N 2 0 255.406 1.243 10 30 CDEERP C=CC[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001268756973 903096437 /nfs/dbraw/zinc/09/64/37/903096437.db2.gz PKXBKAOBMUVBKG-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001269812439 904129771 /nfs/dbraw/zinc/12/97/71/904129771.db2.gz GJNRBQVXNSRQRD-GDBMZVCRSA-N 2 0 293.455 1.968 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001270082649 904339132 /nfs/dbraw/zinc/33/91/32/904339132.db2.gz DTECUPNFWQBLLA-AWEZNQCLSA-N 2 0 296.374 1.470 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001270419919 904625095 /nfs/dbraw/zinc/62/50/95/904625095.db2.gz NGXSPQLOJKTEMU-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001271729435 906682062 /nfs/dbraw/zinc/68/20/62/906682062.db2.gz XMMNKRKKXPYKPV-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001272043741 907683751 /nfs/dbraw/zinc/68/37/51/907683751.db2.gz NIIFBHXURMPARD-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001272080609 908046027 /nfs/dbraw/zinc/04/60/27/908046027.db2.gz PKMYVFDORIDSDG-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567943927 1169086606 /nfs/dbraw/zinc/08/66/06/1169086606.db2.gz JGIOLXWFLFELBM-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482833074 908410841 /nfs/dbraw/zinc/41/08/41/908410841.db2.gz LGNXKNIGKXDQOW-HOCLYGCPSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482925446 908494750 /nfs/dbraw/zinc/49/47/50/908494750.db2.gz QLUBNGCURCSJPV-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273017335 921561941 /nfs/dbraw/zinc/56/19/41/921561941.db2.gz HUSVQLQROQNABD-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001568114348 1169138531 /nfs/dbraw/zinc/13/85/31/1169138531.db2.gz GBNLOSZBASCCKR-SHTZXODSSA-N 2 0 281.444 1.920 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001484753929 916142909 /nfs/dbraw/zinc/14/29/09/916142909.db2.gz BTEHAJAFRJHNJU-UHFFFAOYSA-N 2 0 267.417 1.295 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001485299409 916781734 /nfs/dbraw/zinc/78/17/34/916781734.db2.gz JYVOJCFGFTZUAQ-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001485510718 917050987 /nfs/dbraw/zinc/05/09/87/917050987.db2.gz RSVGZSBSNRKXNB-CQSZACIVSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001485685258 917181857 /nfs/dbraw/zinc/18/18/57/917181857.db2.gz NGWCSNOBJNQHTH-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001485706454 917187430 /nfs/dbraw/zinc/18/74/30/917187430.db2.gz BSLVKZLEPIOVJI-HDJSIYSDSA-N 2 0 276.384 1.334 10 30 CDEERP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001273473799 917681121 /nfs/dbraw/zinc/68/11/21/917681121.db2.gz CIAIAMZLESPVBP-HNNXBMFYSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001568274380 1169217897 /nfs/dbraw/zinc/21/78/97/1169217897.db2.gz UUFREGFCWINTGA-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)Cn1cncc1C ZINC001273535074 920374646 /nfs/dbraw/zinc/37/46/46/920374646.db2.gz QPDBGVCEWWVNKP-UHFFFAOYSA-N 2 0 264.373 1.158 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001485874271 920540567 /nfs/dbraw/zinc/54/05/67/920540567.db2.gz VRLVYZQRVREZBY-HUUCEWRRSA-N 2 0 279.428 1.319 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001273561057 921017702 /nfs/dbraw/zinc/01/77/02/921017702.db2.gz UOLXGKDBAYPLHZ-OAHLLOKOSA-N 2 0 279.428 1.132 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001490933657 936833721 /nfs/dbraw/zinc/83/37/21/936833721.db2.gz ITGSTOAXSUINPV-VGWMRTNUSA-N 2 0 289.423 1.263 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001273204254 924841304 /nfs/dbraw/zinc/84/13/04/924841304.db2.gz KWSCUHCJXKOADE-ZDUSSCGKSA-N 2 0 255.406 1.387 10 30 CDEERP C=CCN1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001488662840 926653662 /nfs/dbraw/zinc/65/36/62/926653662.db2.gz MHMVEPPTPFEBJD-KBPBESRZSA-N 2 0 265.401 1.047 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001489208710 926827157 /nfs/dbraw/zinc/82/71/57/926827157.db2.gz ZXZMKWISISJCMS-CVEARBPZSA-N 2 0 291.439 1.130 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001489350060 926879775 /nfs/dbraw/zinc/87/97/75/926879775.db2.gz NXQRWSMPQKNOSE-HUUCEWRRSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001490440095 927160558 /nfs/dbraw/zinc/16/05/58/927160558.db2.gz JOMCJXZEZZASIX-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001490777855 927340471 /nfs/dbraw/zinc/34/04/71/927340471.db2.gz TUHRAUXVJUBNKY-HZPDHXFCSA-N 2 0 293.455 1.685 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001490776829 927344339 /nfs/dbraw/zinc/34/43/39/927344339.db2.gz KZVBFKAXGKIQHH-JKSUJKDBSA-N 2 0 291.439 1.132 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001274104251 931171390 /nfs/dbraw/zinc/17/13/90/931171390.db2.gz AVZXKTJKSGEOCM-IYKSTZQJSA-N 2 0 277.412 1.146 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001319917173 931490916 /nfs/dbraw/zinc/49/09/16/931490916.db2.gz KJBQQQKUNXCXLZ-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001320150050 931499954 /nfs/dbraw/zinc/49/99/54/931499954.db2.gz AMPPRIFNVMQFFY-LSDHHAIUSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001274632669 931526072 /nfs/dbraw/zinc/52/60/72/931526072.db2.gz AXJXAOXYCDPAOB-GJZGRUSLSA-N 2 0 291.439 1.463 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001274632668 931526438 /nfs/dbraw/zinc/52/64/38/931526438.db2.gz AXJXAOXYCDPAOB-CABCVRRESA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC001296171010 931534452 /nfs/dbraw/zinc/53/44/52/931534452.db2.gz LNXKYABMMLGFRZ-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001275311093 931731113 /nfs/dbraw/zinc/73/11/13/931731113.db2.gz YLIRQQAXCRZWGQ-UHFFFAOYSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[N@H+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001275849582 932091663 /nfs/dbraw/zinc/09/16/63/932091663.db2.gz HBJIJMMYXMVFMO-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCOCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001275904185 932122435 /nfs/dbraw/zinc/12/24/35/932122435.db2.gz CZZUSABEPPITMI-CABCVRRESA-N 2 0 297.443 1.110 10 30 CDEERP CC#CC[NH2+]C[C@H](CCCC)NC(=O)C1([NH+](C)C)CCC1 ZINC001276254923 932690704 /nfs/dbraw/zinc/69/07/04/932690704.db2.gz IXMAPELBGSNSGI-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP C#CCN1CCC([NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC001120501580 937804203 /nfs/dbraw/zinc/80/42/03/937804203.db2.gz WRTIOVZFYGOAPN-MRXNPFEDSA-N 2 0 294.439 1.120 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001123941887 936251954 /nfs/dbraw/zinc/25/19/54/936251954.db2.gz BFBPVJDOKZDXLJ-CQSZACIVSA-N 2 0 279.428 1.580 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001329471807 939796721 /nfs/dbraw/zinc/79/67/21/939796721.db2.gz MMOAXGNJQJJKRY-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001276710886 940818951 /nfs/dbraw/zinc/81/89/51/940818951.db2.gz AWLRBOWUJCFKCO-INIZCTEOSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001276868204 941661448 /nfs/dbraw/zinc/66/14/48/941661448.db2.gz ZLJFZTPPIVVVRM-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001277189607 942151666 /nfs/dbraw/zinc/15/16/66/942151666.db2.gz QVCSXKCNILPEMI-OAHLLOKOSA-N 2 0 291.439 1.511 10 30 CDEERP C=CC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001279582538 942396258 /nfs/dbraw/zinc/39/62/58/942396258.db2.gz QUWGDELFEVXVPR-HNNXBMFYSA-N 2 0 279.428 1.507 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001281036081 942528233 /nfs/dbraw/zinc/52/82/33/942528233.db2.gz HQDUIMKJQOKLAF-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001282652956 942735296 /nfs/dbraw/zinc/73/52/96/942735296.db2.gz CQRWKKSUZGVGOO-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@H]12 ZINC001284068169 943067711 /nfs/dbraw/zinc/06/77/11/943067711.db2.gz DFYUNTVTHVHFBX-RDJZCZTQSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[N@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001284957663 943302399 /nfs/dbraw/zinc/30/23/99/943302399.db2.gz UDIPFXWHKMPHBP-HNNXBMFYSA-N 2 0 279.428 1.651 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C ZINC001332804841 943305795 /nfs/dbraw/zinc/30/57/95/943305795.db2.gz BKSUMTHFKPMAAO-ZIAGYGMSSA-N 2 0 299.434 1.420 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001277756606 943480120 /nfs/dbraw/zinc/48/01/20/943480120.db2.gz PQIUCWFWIPBZMV-KBPBESRZSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001263871162 944015780 /nfs/dbraw/zinc/01/57/80/944015780.db2.gz AHUAYDOYMVUKHP-HDJSIYSDSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001264376241 944120427 /nfs/dbraw/zinc/12/04/27/944120427.db2.gz FKDSOQYNJIROBJ-LSDHHAIUSA-N 2 0 281.444 1.826 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266023441 944637645 /nfs/dbraw/zinc/63/76/45/944637645.db2.gz LSHYDSFJKNCJGU-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1CC ZINC001479637393 971352248 /nfs/dbraw/zinc/35/22/48/971352248.db2.gz PEUJGLRQWGXYHR-UONOGXRCSA-N 2 0 279.428 1.626 10 30 CDEERP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001479694094 971370087 /nfs/dbraw/zinc/37/00/87/971370087.db2.gz LDPNLRCVESMZJX-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[N@H+](C)CCN(C(=O)C[NH+](C)C(C)C)C(C)C ZINC001278930124 948273440 /nfs/dbraw/zinc/27/34/40/948273440.db2.gz VZECYLJYHQYJPA-UHFFFAOYSA-N 2 0 281.444 1.519 10 30 CDEERP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001479913371 971484872 /nfs/dbraw/zinc/48/48/72/971484872.db2.gz YUOMIDKISHBVIH-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001480320454 971668493 /nfs/dbraw/zinc/66/84/93/971668493.db2.gz XZSMJPBZAPHUIG-INIZCTEOSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001278636691 950778351 /nfs/dbraw/zinc/77/83/51/950778351.db2.gz FASJCYUVVJWOHB-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001278653758 951165235 /nfs/dbraw/zinc/16/52/35/951165235.db2.gz OKYWBJQLGSTNKP-DOTOQJQBSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001316639632 953519482 /nfs/dbraw/zinc/51/94/82/953519482.db2.gz NPSQMEAJHJEPFF-WKILWMFISA-N 2 0 293.455 1.779 10 30 CDEERP C#CC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001324867343 953613999 /nfs/dbraw/zinc/61/39/99/953613999.db2.gz CWJWVGTZCWYFQL-HNNXBMFYSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001325579665 953971859 /nfs/dbraw/zinc/97/18/59/953971859.db2.gz BFQRXRXBWAXWPW-JKSUJKDBSA-N 2 0 295.471 1.979 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCC1 ZINC001326899938 954607168 /nfs/dbraw/zinc/60/71/68/954607168.db2.gz RADRZPUJDMIDRJ-HNNXBMFYSA-N 2 0 291.439 1.511 10 30 CDEERP C#CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001327277137 954807049 /nfs/dbraw/zinc/80/70/49/954807049.db2.gz MMBCEHUTEQKDPX-UHFFFAOYSA-N 2 0 279.428 1.132 10 30 CDEERP C#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001491952902 955542698 /nfs/dbraw/zinc/54/26/98/955542698.db2.gz UDNVQLLRUCZMPG-HNNXBMFYSA-N 2 0 293.455 1.520 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1ncc[nH]1 ZINC001329148570 955719207 /nfs/dbraw/zinc/71/92/07/955719207.db2.gz FRPKPVTVMLMJTJ-WDEREUQCSA-N 2 0 250.346 1.011 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001493902975 972134784 /nfs/dbraw/zinc/13/47/84/972134784.db2.gz GMHKBJYFGXPXRD-SJORKVTESA-N 2 0 299.418 1.409 10 30 CDEERP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001329441494 955917362 /nfs/dbraw/zinc/91/73/62/955917362.db2.gz NGLLJPGLSFXHPK-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317336328 956187034 /nfs/dbraw/zinc/18/70/34/956187034.db2.gz IBAKFKCLQICJRA-HNNXBMFYSA-N 2 0 295.471 1.979 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001494140664 972185690 /nfs/dbraw/zinc/18/56/90/972185690.db2.gz JFLXOELFCJJSRD-HUUCEWRRSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001330613224 956515586 /nfs/dbraw/zinc/51/55/86/956515586.db2.gz LCJSCXXRCHKLLX-FPCVCCKLSA-N 2 0 291.439 1.674 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001316901144 956881197 /nfs/dbraw/zinc/88/11/97/956881197.db2.gz ABUMAPBSLIDQKW-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001317158585 956991115 /nfs/dbraw/zinc/99/11/15/956991115.db2.gz USGPRQYLNMUXEO-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)Cc1[nH]cnc1C)C1CC1 ZINC001316927571 957129139 /nfs/dbraw/zinc/12/91/39/957129139.db2.gz SRONEVBQEKOZAK-UHFFFAOYSA-N 2 0 288.395 1.255 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317061779 957239331 /nfs/dbraw/zinc/23/93/31/957239331.db2.gz IXLPHYSFGRHXDL-QLFBSQMISA-N 2 0 279.428 1.626 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001317076052 957252642 /nfs/dbraw/zinc/25/26/42/957252642.db2.gz LMJRXFFROSPZBQ-KKUMJFAQSA-N 2 0 279.428 1.672 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001317192779 957332999 /nfs/dbraw/zinc/33/29/99/957332999.db2.gz NQQINRDMTUHGSE-UKRRQHHQSA-N 2 0 288.395 1.192 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001331944609 957352958 /nfs/dbraw/zinc/35/29/58/957352958.db2.gz SAOCXEURFJGODF-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCC2CC2)CC1 ZINC001317294678 957407214 /nfs/dbraw/zinc/40/72/14/957407214.db2.gz OZJOCTYBYDZPHG-CQSZACIVSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001317295184 957408926 /nfs/dbraw/zinc/40/89/26/957408926.db2.gz VEQNIPQNXJSDPY-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317535928 957534000 /nfs/dbraw/zinc/53/40/00/957534000.db2.gz KVYVSKYNFRCDFW-AWEZNQCLSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001494828284 972318429 /nfs/dbraw/zinc/31/84/29/972318429.db2.gz CMCQUBOTLKGPIY-JKSUJKDBSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)C[NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001333141398 958101901 /nfs/dbraw/zinc/10/19/01/958101901.db2.gz NWOLWLICCPZLJQ-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318482001 958126094 /nfs/dbraw/zinc/12/60/94/958126094.db2.gz DSGVXNKFTKCJKU-CQSZACIVSA-N 2 0 279.428 1.437 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001494985744 972364417 /nfs/dbraw/zinc/36/44/17/972364417.db2.gz BMNIUVMFVAVZBI-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001319716254 958698734 /nfs/dbraw/zinc/69/87/34/958698734.db2.gz UPOOGDLOVSDHEB-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001495095458 972406164 /nfs/dbraw/zinc/40/61/64/972406164.db2.gz WIOILKHOMFPDIJ-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001569329719 1169767965 /nfs/dbraw/zinc/76/79/65/1169767965.db2.gz SMURTDJWSNGUFZ-LSDHHAIUSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001495212429 972437751 /nfs/dbraw/zinc/43/77/51/972437751.db2.gz UABIQBRZNMYCQI-GJZGRUSLSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321065797 959569669 /nfs/dbraw/zinc/56/96/69/959569669.db2.gz WLKAULMWTBQWER-MBVDDHJVSA-N 2 0 277.412 1.166 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001321905847 960012763 /nfs/dbraw/zinc/01/27/63/960012763.db2.gz ACIRZHLWWWUPOG-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001495396970 972487692 /nfs/dbraw/zinc/48/76/92/972487692.db2.gz OZYBHGCAKUKNHG-HOTGVXAUSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001323089205 960442714 /nfs/dbraw/zinc/44/27/14/960442714.db2.gz LFTPFQWMHGVJKC-OAHLLOKOSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001324002731 961101872 /nfs/dbraw/zinc/10/18/72/961101872.db2.gz AIQZPZSHVUJTQE-AWEZNQCLSA-N 2 0 291.439 1.580 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N(CC[NH3+])CCc1ccccc1 ZINC001340295425 962869605 /nfs/dbraw/zinc/86/96/05/962869605.db2.gz BRKIQQIYPIHIRU-MRXNPFEDSA-N 2 0 289.423 1.700 10 30 CDEERP C=CC[C@]1(C(=O)NCC[N@H+]2CCC(C)(C)C2)CCC[NH2+]1 ZINC001341536875 963455001 /nfs/dbraw/zinc/45/50/01/963455001.db2.gz RRZXOWKRJJIFMT-MRXNPFEDSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001342308899 963706181 /nfs/dbraw/zinc/70/61/81/963706181.db2.gz ZXYLFAOYJXBZCJ-CZUORRHYSA-N 2 0 281.444 1.894 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001441816681 964729569 /nfs/dbraw/zinc/72/95/69/964729569.db2.gz DTHRKRREIXPYOT-WCQYABFASA-N 2 0 285.819 1.175 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001346497087 965143511 /nfs/dbraw/zinc/14/35/11/965143511.db2.gz YTUPNWHDNGVBQC-UONOGXRCSA-N 2 0 267.417 1.566 10 30 CDEERP C=CCCC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001569416705 1169870443 /nfs/dbraw/zinc/87/04/43/1169870443.db2.gz QXEUYRVDHWSVRN-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001350585810 966701899 /nfs/dbraw/zinc/70/18/99/966701899.db2.gz PTYKXGOJHLJVIZ-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480277069 967259787 /nfs/dbraw/zinc/25/97/87/967259787.db2.gz RGPMGKFLGWXJBP-KGLIPLIRSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001480474346 967953281 /nfs/dbraw/zinc/95/32/81/967953281.db2.gz YPDDODDVSWKOEQ-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497447627 973352019 /nfs/dbraw/zinc/35/20/19/973352019.db2.gz MYBFEDRXSUONJT-CYBMUJFWSA-N 2 0 255.406 1.197 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001497615423 973436711 /nfs/dbraw/zinc/43/67/11/973436711.db2.gz MLRUEBMQXRLXOP-PSKZRQQASA-N 2 0 265.401 1.309 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497831432 973542519 /nfs/dbraw/zinc/54/25/19/973542519.db2.gz LLCGCDUKJHCBHZ-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001498636373 974006286 /nfs/dbraw/zinc/00/62/86/974006286.db2.gz BYNRDTOXTPVQNR-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001499105964 974186718 /nfs/dbraw/zinc/18/67/18/974186718.db2.gz CMLNSSQTTVRVHQ-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001499909044 974332326 /nfs/dbraw/zinc/33/23/26/974332326.db2.gz OPJXSBZJKIHZSY-HNNXBMFYSA-N 2 0 289.423 1.219 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001501610885 974605580 /nfs/dbraw/zinc/60/55/80/974605580.db2.gz FRWSCYZBBRPNKS-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001502515986 974746099 /nfs/dbraw/zinc/74/60/99/974746099.db2.gz VTBILAODFQCZNJ-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001502968106 974804448 /nfs/dbraw/zinc/80/44/48/974804448.db2.gz KXOBEIGRPNUEPJ-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001506935207 975266164 /nfs/dbraw/zinc/26/61/64/975266164.db2.gz GIRSRGOFLKPHSA-ILXRZTDVSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]CCF)CC1 ZINC001506951553 975271349 /nfs/dbraw/zinc/27/13/49/975271349.db2.gz UNMAQKGGVDCCFD-AWEZNQCLSA-N 2 0 297.418 1.176 10 30 CDEERP C=CC[NH2+][C@H](CCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001506994688 975286850 /nfs/dbraw/zinc/28/68/50/975286850.db2.gz BDKXWEDKWCAGHU-CQSZACIVSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001507150679 975356072 /nfs/dbraw/zinc/35/60/72/975356072.db2.gz ZRNOJGXONMVEFW-OLZOCXBDSA-N 2 0 255.406 1.339 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001508021151 975577532 /nfs/dbraw/zinc/57/75/32/975577532.db2.gz GWFVIFKLFDEIIX-ZIAGYGMSSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001391867559 977120953 /nfs/dbraw/zinc/12/09/53/977120953.db2.gz USIGGTQFIOXLIE-CYBMUJFWSA-N 2 0 287.835 1.660 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001674393021 1173938450 /nfs/dbraw/zinc/93/84/50/1173938450.db2.gz JABUMPBQGAMAKK-JYJNAYRXSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001674674502 1173985173 /nfs/dbraw/zinc/98/51/73/1173985173.db2.gz SXLCPFDYBAGZDD-UONOGXRCSA-N 2 0 281.444 1.920 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001675055173 1174070450 /nfs/dbraw/zinc/07/04/50/1174070450.db2.gz YGIVXTIRFMNXRN-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001676695783 1174257119 /nfs/dbraw/zinc/25/71/19/1174257119.db2.gz ZGYWQDBNRCIVBY-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001676754600 1174267106 /nfs/dbraw/zinc/26/71/06/1174267106.db2.gz GHNHGQNRAAMYEH-UONOGXRCSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001570609136 1170210687 /nfs/dbraw/zinc/21/06/87/1170210687.db2.gz XSRVMKNKRPIVQN-VXGBXAGGSA-N 2 0 253.390 1.140 10 30 CDEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001570720396 1170252779 /nfs/dbraw/zinc/25/27/79/1170252779.db2.gz RBGSHRRFCJAWJL-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001571664639 1170514380 /nfs/dbraw/zinc/51/43/80/1170514380.db2.gz PLWVHDKTSCKVRV-YMAMQOFZSA-N 2 0 279.428 1.175 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001656098025 1171766769 /nfs/dbraw/zinc/76/67/69/1171766769.db2.gz QIVVJUSHWVEBEJ-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001656109367 1171769747 /nfs/dbraw/zinc/76/97/47/1171769747.db2.gz JFYVYYKKGYZHAT-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[C@@H]1CC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000625701312 342194245 /nfs/dbraw/zinc/19/42/45/342194245.db2.gz IQSXYCIEHGTAJU-CQSZACIVSA-N 2 0 265.401 1.049 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000594427575 342897318 /nfs/dbraw/zinc/89/73/18/342897318.db2.gz VEVXWLAXPWWPDV-CYBMUJFWSA-N 2 0 260.341 1.495 10 30 CDEERP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@@H+]1C ZINC000594437390 342905842 /nfs/dbraw/zinc/90/58/42/342905842.db2.gz BQZMJVUBGZMKCG-RDBSUJKOSA-N 2 0 280.416 1.339 10 30 CDEERP CC(C)C[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594441257 342907314 /nfs/dbraw/zinc/90/73/14/342907314.db2.gz PXCOVNXGLHFOHY-OAHLLOKOSA-N 2 0 294.443 1.634 10 30 CDEERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594441300 342907531 /nfs/dbraw/zinc/90/75/31/342907531.db2.gz QPNGPHKHUIYCNY-KBPBESRZSA-N 2 0 280.416 1.244 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000594441690 342907683 /nfs/dbraw/zinc/90/76/83/342907683.db2.gz UUXXLUJJENTGOQ-OAHLLOKOSA-N 2 0 292.427 1.388 10 30 CDEERP CC[NH+]1CCC(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600717609 342244273 /nfs/dbraw/zinc/24/42/73/342244273.db2.gz BVBISPHQAZONMY-AWEZNQCLSA-N 2 0 265.401 1.363 10 30 CDEERP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)CC2(C#N)CC2)CCCO1 ZINC000600734393 342246054 /nfs/dbraw/zinc/24/60/54/342246054.db2.gz OQICIQTWCFMDKR-LSDHHAIUSA-N 2 0 295.427 1.132 10 30 CDEERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(C#N)cc1 ZINC000596650529 343371361 /nfs/dbraw/zinc/37/13/61/343371361.db2.gz KRZCJXATEMZLNY-HNNXBMFYSA-N 2 0 261.369 1.444 10 30 CDEERP C[C@@H](C#N)CN(C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000596692419 343373565 /nfs/dbraw/zinc/37/35/65/343373565.db2.gz FXTGFVLAMSAYNJ-KBPBESRZSA-N 2 0 297.447 1.059 10 30 CDEERP C=CCC1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCCC1 ZINC000644663323 366330556 /nfs/dbraw/zinc/33/05/56/366330556.db2.gz SRNWBNRTDQUWSI-MRXNPFEDSA-N 2 0 295.471 1.321 10 30 CDEERP C=CCN1CC[C@H]([NH+]2CCC(C[NH+](CC)CC)CC2)C1=O ZINC000337138705 360003117 /nfs/dbraw/zinc/00/31/17/360003117.db2.gz PHWLJTLVTKAWNS-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246491314 360866469 /nfs/dbraw/zinc/86/64/69/360866469.db2.gz AOKZQNIXUKJQHW-IIAWOOMASA-N 2 0 294.443 1.455 10 30 CDEERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528399988 367827640 /nfs/dbraw/zinc/82/76/40/367827640.db2.gz MIKXKUZYXLFUQS-LSDHHAIUSA-N 2 0 279.428 1.705 10 30 CDEERP C=CC[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001662126134 1172485883 /nfs/dbraw/zinc/48/58/83/1172485883.db2.gz GNTPRTAEGBOVQY-YMAMQOFZSA-N 2 0 281.444 1.776 10 30 CDEERP C=CCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001663288906 1172667840 /nfs/dbraw/zinc/66/78/40/1172667840.db2.gz WRZMAIPCUNRZMA-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001664185819 1172821241 /nfs/dbraw/zinc/82/12/41/1172821241.db2.gz DEKBOWHXXKXXMO-INIZCTEOSA-N 2 0 299.434 1.823 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000662690869 413319755 /nfs/dbraw/zinc/31/97/55/413319755.db2.gz CGHSXKNHPITEPV-HOCLYGCPSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCC[NH2+]1 ZINC000662718678 413376405 /nfs/dbraw/zinc/37/64/05/413376405.db2.gz RJKNAVSIGHLSLS-RDJZCZTQSA-N 2 0 291.439 1.772 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000662729794 413393654 /nfs/dbraw/zinc/39/36/54/413393654.db2.gz XNKISAWNGCNFPD-NVXWUHKLSA-N 2 0 293.455 1.779 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001665570043 1173013580 /nfs/dbraw/zinc/01/35/80/1173013580.db2.gz QQTGFOCTCPNOOQ-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[C@]1(C(=O)NCC[C@@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000662926816 413710216 /nfs/dbraw/zinc/71/02/16/413710216.db2.gz XALXQBZXRJPJAJ-TZMCWYRMSA-N 2 0 253.390 1.174 10 30 CDEERP C=CC[C@@]1(C(=O)NCC[C@@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000662926814 413710875 /nfs/dbraw/zinc/71/08/75/413710875.db2.gz XALXQBZXRJPJAJ-OCCSQVGLSA-N 2 0 253.390 1.174 10 30 CDEERP CC[N@H+](Cc1cc(C#CC[NH3+])cs1)[C@@H](C)COC ZINC000043689129 175096255 /nfs/dbraw/zinc/09/62/55/175096255.db2.gz AIBFWEHUAGAFIN-LBPRGKRZSA-N 2 0 266.410 1.915 10 30 CDEERP CN[C@@](C)(C#N)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045182199 175325559 /nfs/dbraw/zinc/32/55/59/175325559.db2.gz XJNOMMJBGZITIP-CQSZACIVSA-N 2 0 252.406 1.152 10 30 CDEERP C[N@@H+](Cc1ccc(C#CCO)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071190497 176067105 /nfs/dbraw/zinc/06/71/05/176067105.db2.gz OLZMATALTUUUSI-KRWDZBQOSA-N 2 0 272.392 1.414 10 30 CDEERP O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330336060 228155277 /nfs/dbraw/zinc/15/52/77/228155277.db2.gz ZHZDOTKMXKCHHC-HNNXBMFYSA-N 2 0 295.427 1.274 10 30 CDEERP C[NH+](CC#CC[N@@H+](C)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000341901021 263367361 /nfs/dbraw/zinc/36/73/61/263367361.db2.gz JRBWJTHACNONDY-HOTGVXAUSA-N 2 0 280.412 1.211 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)CCC[NH2+]1 ZINC000662823533 424508603 /nfs/dbraw/zinc/50/86/03/424508603.db2.gz SXDWWAYABDJIAB-BBRMVZONSA-N 2 0 277.412 1.476 10 30 CDEERP C#CCC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]21 ZINC001667694078 1173311529 /nfs/dbraw/zinc/31/15/29/1173311529.db2.gz LOPLANZKKDGSED-HOTGVXAUSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)C1(C[NH+](C)C)CC1 ZINC001668533744 1173424397 /nfs/dbraw/zinc/42/43/97/1173424397.db2.gz PPRCGKVBYBBDPY-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001669381982 1173543948 /nfs/dbraw/zinc/54/39/48/1173543948.db2.gz VHHSVMYZTNCXOU-KGLIPLIRSA-N 2 0 267.417 1.389 10 30 CDEERP C#CC[NH+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001671648372 1173699787 /nfs/dbraw/zinc/69/97/87/1173699787.db2.gz GSCRVLQRLGBNEE-GOEBONIOSA-N 2 0 277.412 1.075 10 30 CDEERP CN1CC[NH+]=C1NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000262661327 330025077 /nfs/dbraw/zinc/02/50/77/330025077.db2.gz NAMUAHHHRURPAB-UHFFFAOYSA-N 2 0 264.348 1.278 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267280526 1159232508 /nfs/dbraw/zinc/23/25/08/1159232508.db2.gz UEDNBIGPAGKMCG-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccccc1 ZINC001267523418 1159429387 /nfs/dbraw/zinc/42/93/87/1159429387.db2.gz SSNVHRNQAUNCCG-CVEARBPZSA-N 2 0 289.423 1.960 10 30 CDEERP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001671044444 1161412135 /nfs/dbraw/zinc/41/21/35/1161412135.db2.gz HJRIBAKGLIEARN-QGZVFWFLSA-N 2 0 291.439 1.276 10 30 CDEERP CC#CC[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001733360246 1183409183 /nfs/dbraw/zinc/40/91/83/1183409183.db2.gz PEFCUTAHANANSV-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001733768301 1183525681 /nfs/dbraw/zinc/52/56/81/1183525681.db2.gz GTYBAAZQMPDLKL-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP CCOC1CC[NH+](Cc2ccc(C#CC[NH3+])cc2)CC1 ZINC000049609442 521656831 /nfs/dbraw/zinc/65/68/31/521656831.db2.gz JHPULOUKTVPHPU-UHFFFAOYSA-N 2 0 272.392 1.998 10 30 CDEERP C[C@H]1CCC[N@@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049608289 524120192 /nfs/dbraw/zinc/12/01/92/524120192.db2.gz NUJPNNIDQDBEPT-AWEZNQCLSA-N 2 0 258.365 1.860 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCCC[C@H]2CCO)c(F)c1 ZINC000049608681 527148321 /nfs/dbraw/zinc/14/83/21/527148321.db2.gz NDGMLHRWPWPNKR-INIZCTEOSA-N 2 0 290.382 1.873 10 30 CDEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001689259827 1175131094 /nfs/dbraw/zinc/13/10/94/1175131094.db2.gz PGNSPBADJUDELY-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001690281704 1175423570 /nfs/dbraw/zinc/42/35/70/1175423570.db2.gz HGGHAMDLXLBXTL-BZUAXINKSA-N 2 0 291.439 1.367 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000939399626 613349944 /nfs/dbraw/zinc/34/99/44/613349944.db2.gz ZRMCQBXCXBQLCI-JKSUJKDBSA-N 2 0 293.455 1.731 10 30 CDEERP C#Cc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000894873357 619113106 /nfs/dbraw/zinc/11/31/06/619113106.db2.gz LHCVIOXMOHCAPE-UHFFFAOYSA-N 2 0 286.419 1.993 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000900307455 622877796 /nfs/dbraw/zinc/87/77/96/622877796.db2.gz JGMSKBQTARAHQA-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCC[C@H]([NH2+]C[C@]1(O)CCN(C)C1)[C@@]1(C)CCCCO1 ZINC000902953777 625689455 /nfs/dbraw/zinc/68/94/55/625689455.db2.gz JYRRSHJXAWENEG-GVDBMIGSSA-N 2 0 296.455 1.937 10 30 CDEERP C=CCCC[N@@H+](CC)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904471596 626304397 /nfs/dbraw/zinc/30/43/97/626304397.db2.gz JQQXHOJMCJNOBM-CQSZACIVSA-N 2 0 267.417 1.472 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000913159419 630380078 /nfs/dbraw/zinc/38/00/78/630380078.db2.gz NCYIYFBBKSQEFB-OAHLLOKOSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000917097833 632147887 /nfs/dbraw/zinc/14/78/87/632147887.db2.gz KLZQDGXJGISNCJ-HIFRSBDPSA-N 2 0 294.443 1.419 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001670481496 1158617915 /nfs/dbraw/zinc/61/79/15/1158617915.db2.gz YYEIXOBRUIHUFT-HUUCEWRRSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691046142 1158722696 /nfs/dbraw/zinc/72/26/96/1158722696.db2.gz ITYCBJJBVYQMCX-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001691105388 1158910911 /nfs/dbraw/zinc/91/09/11/1158910911.db2.gz BCIGUACTUUUVKF-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001691166470 1158941900 /nfs/dbraw/zinc/94/19/00/1158941900.db2.gz SXLNAVPPXWIYOB-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CCN1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266362158 1158510776 /nfs/dbraw/zinc/51/07/76/1158510776.db2.gz YSGGHSZQIHBRQL-JKSUJKDBSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001772514202 1158530291 /nfs/dbraw/zinc/53/02/91/1158530291.db2.gz NMJAUIZHJGLSCS-AWEZNQCLSA-N 2 0 287.407 1.479 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001670478213 1158616988 /nfs/dbraw/zinc/61/69/88/1158616988.db2.gz BZZHGQOQASEVCJ-HZPDHXFCSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001725118165 1159122532 /nfs/dbraw/zinc/12/25/32/1159122532.db2.gz JSZQMVXIQLMSTK-KBPBESRZSA-N 2 0 281.444 1.776 10 30 CDEERP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001496487057 1159926830 /nfs/dbraw/zinc/92/68/30/1159926830.db2.gz KHNHCMZHVPKJEH-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC001623348977 1165766814 /nfs/dbraw/zinc/76/68/14/1165766814.db2.gz MQDDQGQXLIGKHO-OAHLLOKOSA-N 2 0 297.443 1.064 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](CCC)CC1 ZINC000876712156 1165898764 /nfs/dbraw/zinc/89/87/64/1165898764.db2.gz MPPYHNASFMKZCN-LBPRGKRZSA-N 2 0 273.808 1.447 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000876913282 1165938323 /nfs/dbraw/zinc/93/83/23/1165938323.db2.gz PRBIXFLNPISDBX-WDEREUQCSA-N 2 0 259.781 1.090 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001646817463 1168158804 /nfs/dbraw/zinc/15/88/04/1168158804.db2.gz JNSYWZWCWULLJZ-NSHDSACASA-N 2 0 271.792 1.105 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001566893975 1168458698 /nfs/dbraw/zinc/45/86/98/1168458698.db2.gz SMDITCLDOKBAJZ-BZUAXINKSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)CCC[NH+]1CCCC1)C(C)C ZINC001568470937 1169303929 /nfs/dbraw/zinc/30/39/29/1169303929.db2.gz YPBXWTFDHBJGLA-HNNXBMFYSA-N 2 0 279.428 1.226 10 30 CDEERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001568911189 1169545734 /nfs/dbraw/zinc/54/57/34/1169545734.db2.gz BUTCPRGLJITYRG-SREVYHEPSA-N 2 0 299.418 1.252 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001569554686 1169922626 /nfs/dbraw/zinc/92/26/26/1169922626.db2.gz WUHCDJURWQMEPL-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001571502351 1170456352 /nfs/dbraw/zinc/45/63/52/1170456352.db2.gz DAIFKKLGLABZBP-GOEBONIOSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001661554514 1172406320 /nfs/dbraw/zinc/40/63/20/1172406320.db2.gz CBNAZLIOBZSJDD-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001664811898 1172913702 /nfs/dbraw/zinc/91/37/02/1172913702.db2.gz KEPIANLJRZVAAC-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001668279748 1173390224 /nfs/dbraw/zinc/39/02/24/1173390224.db2.gz XDRLZRLLPRCVPP-STQMWFEESA-N 2 0 255.406 1.387 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001674984599 1174054924 /nfs/dbraw/zinc/05/49/24/1174054924.db2.gz ANWALVIFASPIKE-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001690339600 1175443718 /nfs/dbraw/zinc/44/37/18/1175443718.db2.gz NGRGVLHNNJHRLT-HZSPNIEDSA-N 2 0 285.407 1.479 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001690574547 1175509807 /nfs/dbraw/zinc/50/98/07/1175509807.db2.gz CKYCWCVDJYQWBQ-QWHCGFSZSA-N 2 0 253.390 1.140 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001691861205 1175638225 /nfs/dbraw/zinc/63/82/25/1175638225.db2.gz RYEAUXUIABSHAI-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001692349568 1175746108 /nfs/dbraw/zinc/74/61/08/1175746108.db2.gz IRPUNOROIPWRAM-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001698576138 1175851691 /nfs/dbraw/zinc/85/16/91/1175851691.db2.gz VPTALPFKNUOCGS-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001698860759 1175967936 /nfs/dbraw/zinc/96/79/36/1175967936.db2.gz KSDMJUKIZVEAMM-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001698927534 1175986675 /nfs/dbraw/zinc/98/66/75/1175986675.db2.gz FRYGBZOODVJVHQ-GJZGRUSLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001698938720 1175989411 /nfs/dbraw/zinc/98/94/11/1175989411.db2.gz NRWXXXRCNFVWIG-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001699018049 1176042393 /nfs/dbraw/zinc/04/23/93/1176042393.db2.gz VVYIHPLGHCDKEP-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699140161 1176108957 /nfs/dbraw/zinc/10/89/57/1176108957.db2.gz FOWYOWFENJUGMD-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699263480 1176185090 /nfs/dbraw/zinc/18/50/90/1176185090.db2.gz WWYFMLRULIFNKH-SFAKSCPVSA-N 2 0 297.830 1.343 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)c1ccccc1CC[NH+](C)C ZINC001699324875 1176232198 /nfs/dbraw/zinc/23/21/98/1176232198.db2.gz WALLSZFZWQHQGR-BQYQJAHWSA-N 2 0 299.418 1.300 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001699423099 1176388233 /nfs/dbraw/zinc/38/82/33/1176388233.db2.gz UNKAQTRBGVMQHB-AWEZNQCLSA-N 2 0 287.407 1.132 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699464000 1176426576 /nfs/dbraw/zinc/42/65/76/1176426576.db2.gz LLRVZTBZCQOAIK-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001700348644 1176861052 /nfs/dbraw/zinc/86/10/52/1176861052.db2.gz DQAKCRSGLRTFJA-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001700356185 1176868622 /nfs/dbraw/zinc/86/86/22/1176868622.db2.gz FVTHTEUTMYRLLZ-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700468218 1176957120 /nfs/dbraw/zinc/95/71/20/1176957120.db2.gz XSINPOUMZYPOQY-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001700476029 1176964918 /nfs/dbraw/zinc/96/49/18/1176964918.db2.gz HTDHHTPQXQEHNU-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001700817926 1177147411 /nfs/dbraw/zinc/14/74/11/1177147411.db2.gz PHLYOQFEQAVIBN-HIFRSBDPSA-N 2 0 277.412 1.073 10 30 CDEERP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001700902701 1177188414 /nfs/dbraw/zinc/18/84/14/1177188414.db2.gz QZEKMUYAVGLIQB-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001700901287 1177188450 /nfs/dbraw/zinc/18/84/50/1177188450.db2.gz KNSJYLOLEQEUDS-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001707073645 1177939679 /nfs/dbraw/zinc/93/96/79/1177939679.db2.gz FQWMNUYMHWTCAH-IYBDPMFKSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001713419257 1178549755 /nfs/dbraw/zinc/54/97/55/1178549755.db2.gz XMHNELVMFIKTPZ-CYBMUJFWSA-N 2 0 267.417 1.389 10 30 CDEERP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001713755655 1178739202 /nfs/dbraw/zinc/73/92/02/1178739202.db2.gz FUIFMDSMUBMXMO-HOTGVXAUSA-N 2 0 293.455 1.685 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001713758999 1178741489 /nfs/dbraw/zinc/74/14/89/1178741489.db2.gz ITZDVNBTNFHHJH-LSDHHAIUSA-N 2 0 279.428 1.295 10 30 CDEERP C#CC[NH+]1CCC(N(CCC)C(=O)CCC[NH+](C)C)CC1 ZINC001713857299 1178795342 /nfs/dbraw/zinc/79/53/42/1178795342.db2.gz QCODQVJZYWDGKE-UHFFFAOYSA-N 2 0 293.455 1.664 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001714246477 1179044331 /nfs/dbraw/zinc/04/43/31/1179044331.db2.gz FRFJJBYUUSXTEB-WDEREUQCSA-N 2 0 261.797 1.173 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001714408623 1179126596 /nfs/dbraw/zinc/12/65/96/1179126596.db2.gz VIQUVWOLCKHBNY-HUUCEWRRSA-N 2 0 281.444 1.921 10 30 CDEERP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001714417232 1179130330 /nfs/dbraw/zinc/13/03/30/1179130330.db2.gz JQIGJUZRTNAIQL-LSDHHAIUSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCC[N@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714635665 1179286689 /nfs/dbraw/zinc/28/66/89/1179286689.db2.gz PERBLTXVBYLTRO-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001714648823 1179295623 /nfs/dbraw/zinc/29/56/23/1179295623.db2.gz ORYKWNRNVQRRED-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001715052184 1179530722 /nfs/dbraw/zinc/53/07/22/1179530722.db2.gz MFHZPCHDRHJMCF-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001715306096 1179617592 /nfs/dbraw/zinc/61/75/92/1179617592.db2.gz ZXGJCQUPESXWRT-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001715491978 1179681739 /nfs/dbraw/zinc/68/17/39/1179681739.db2.gz PDIQRSXICAYMBZ-AWEZNQCLSA-N 2 0 281.444 1.777 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001715573031 1179722273 /nfs/dbraw/zinc/72/22/73/1179722273.db2.gz XOYXWQXCYMSZDX-HOTGVXAUSA-N 2 0 291.439 1.226 10 30 CDEERP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001715673030 1179759386 /nfs/dbraw/zinc/75/93/86/1179759386.db2.gz NUZAHKRJJVZMKQ-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1 ZINC001715738761 1179786199 /nfs/dbraw/zinc/78/61/99/1179786199.db2.gz ZBEOIYKAQGGKFC-UHFFFAOYSA-N 2 0 287.835 1.661 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001715905134 1179906590 /nfs/dbraw/zinc/90/65/90/1179906590.db2.gz WJINQVVZGAZCON-ONEGZZNKSA-N 2 0 289.423 1.004 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716249431 1180119217 /nfs/dbraw/zinc/11/92/17/1180119217.db2.gz WQTNASKQNHOZSS-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716330533 1180156735 /nfs/dbraw/zinc/15/67/35/1180156735.db2.gz WOAPOKPAVMYEIL-WAYWQWQTSA-N 2 0 265.401 1.309 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001716368431 1180170802 /nfs/dbraw/zinc/17/08/02/1180170802.db2.gz RZAQTBARQCAQQH-JGUVHBTRSA-N 2 0 277.412 1.002 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001716400892 1180186623 /nfs/dbraw/zinc/18/66/23/1180186623.db2.gz SUVKVQAVHPNZBJ-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001716850182 1180439660 /nfs/dbraw/zinc/43/96/60/1180439660.db2.gz BQAGKIYBLUZRHD-OAHLLOKOSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001716879914 1180451623 /nfs/dbraw/zinc/45/16/23/1180451623.db2.gz BBOGYQJVDCOPGZ-WBVHZDCISA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001717282837 1180603360 /nfs/dbraw/zinc/60/33/60/1180603360.db2.gz FGVFTZRTIUAGBY-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCC[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001717629091 1180763125 /nfs/dbraw/zinc/76/31/25/1180763125.db2.gz JYAAJNORFKEGJP-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001717861254 1180898918 /nfs/dbraw/zinc/89/89/18/1180898918.db2.gz VMSBZDKXTVSGGI-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717879665 1180909060 /nfs/dbraw/zinc/90/90/60/1180909060.db2.gz RYPDGHIXATZQJK-UONOGXRCSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001723578931 1181589241 /nfs/dbraw/zinc/58/92/41/1181589241.db2.gz RFXHXYQAXHBDOU-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001724556737 1181695099 /nfs/dbraw/zinc/69/50/99/1181695099.db2.gz YZMBJZSYGONCPQ-KBPBESRZSA-N 2 0 277.412 1.095 10 30 CDEERP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001724856671 1181778579 /nfs/dbraw/zinc/77/85/79/1181778579.db2.gz GMIQVNOHJCWBDU-MRXNPFEDSA-N 2 0 293.455 1.663 10 30 CDEERP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001725042880 1181832658 /nfs/dbraw/zinc/83/26/58/1181832658.db2.gz QPTAIXHRGSPZOL-HZPDHXFCSA-N 2 0 293.455 1.968 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001725062855 1181840403 /nfs/dbraw/zinc/84/04/03/1181840403.db2.gz MPQCYQDFRWLFLO-RUXDESIVSA-N 2 0 265.401 1.141 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001725072592 1181845500 /nfs/dbraw/zinc/84/55/00/1181845500.db2.gz WEEQIQSVVWAJQK-NRXISQOPSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725390842 1181985450 /nfs/dbraw/zinc/98/54/50/1181985450.db2.gz XMQGHOTZAXUQPC-ZBFHGGJFSA-N 2 0 291.439 1.226 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725449842 1182004192 /nfs/dbraw/zinc/00/41/92/1182004192.db2.gz DLCLEDFXZADTBL-CVEARBPZSA-N 2 0 291.439 1.341 10 30 CDEERP CC#CC[NH+]1CC=C(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001725831957 1182145255 /nfs/dbraw/zinc/14/52/55/1182145255.db2.gz AVSDVJMGRDWAKN-UHFFFAOYSA-N 2 0 291.439 1.490 10 30 CDEERP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001731296919 1182300529 /nfs/dbraw/zinc/30/05/29/1182300529.db2.gz YNIOHTNDLPLRLM-CABCVRRESA-N 2 0 291.439 1.627 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](CCCF)C1CC1 ZINC001731876840 1182646177 /nfs/dbraw/zinc/64/61/77/1182646177.db2.gz UMCVSLPMGKOMBN-HNNXBMFYSA-N 2 0 295.402 1.024 10 30 CDEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001731994328 1182718502 /nfs/dbraw/zinc/71/85/02/1182718502.db2.gz QGFBEGXBVMSHPA-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001732126670 1182788261 /nfs/dbraw/zinc/78/82/61/1182788261.db2.gz GJIIMOVFAVVBBB-JKSUJKDBSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001732138565 1182795937 /nfs/dbraw/zinc/79/59/37/1182795937.db2.gz FEPUDXQHXVDLLO-UHFFFAOYSA-N 2 0 279.428 1.487 10 30 CDEERP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CCC)C1 ZINC001732185738 1182841685 /nfs/dbraw/zinc/84/16/85/1182841685.db2.gz PLKLCJXWXNOHMQ-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001732568607 1183014897 /nfs/dbraw/zinc/01/48/97/1183014897.db2.gz PYIXXZWMFTXKBF-HNNXBMFYSA-N 2 0 279.428 1.082 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001733083650 1183281398 /nfs/dbraw/zinc/28/13/98/1183281398.db2.gz NLIKLRFHBKQTLX-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH+]1CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001733219702 1183346656 /nfs/dbraw/zinc/34/66/56/1183346656.db2.gz PQDLGMSNTQFNEQ-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001733265226 1183376966 /nfs/dbraw/zinc/37/69/66/1183376966.db2.gz PMJRERJYDBTUMZ-HNNXBMFYSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCC1 ZINC001733381836 1183414558 /nfs/dbraw/zinc/41/45/58/1183414558.db2.gz SBQOZEGDVHVTED-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001733434953 1183432546 /nfs/dbraw/zinc/43/25/46/1183432546.db2.gz LBTZPNLSRZKVRB-MRXNPFEDSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001733452515 1183436123 /nfs/dbraw/zinc/43/61/23/1183436123.db2.gz RYIGUVQWPOWFSJ-UHFFFAOYSA-N 2 0 291.439 1.487 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001734122599 1183666010 /nfs/dbraw/zinc/66/60/10/1183666010.db2.gz QIYHFDNGLSUSKR-CQSZACIVSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001734290940 1183714820 /nfs/dbraw/zinc/71/48/20/1183714820.db2.gz UFRFCIVVTMAINS-LSDHHAIUSA-N 2 0 281.444 1.635 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001734425764 1183774659 /nfs/dbraw/zinc/77/46/59/1183774659.db2.gz NTMPNRNMYXQPEX-GOEBONIOSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]21 ZINC001734451305 1183782165 /nfs/dbraw/zinc/78/21/65/1183782165.db2.gz WPJWCOLVZLSUBJ-ARFHVFGLSA-N 2 0 293.455 1.731 10 30 CDEERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC001626999529 1165971797 /nfs/dbraw/zinc/97/17/97/1165971797.db2.gz BNXMXEPQPPNOFQ-KBPBESRZSA-N 2 0 292.427 1.211 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877409717 837822438 /nfs/dbraw/zinc/82/24/38/837822438.db2.gz YUPLEBZAAJVPIE-STQMWFEESA-N 2 0 299.846 1.885 10 30 CDEERP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000261712842 836401482 /nfs/dbraw/zinc/40/14/82/836401482.db2.gz DUYQFVHTDGKMQH-KBPBESRZSA-N 2 0 282.432 1.190 10 30 CDEERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000261763780 837059283 /nfs/dbraw/zinc/05/92/83/837059283.db2.gz LTPVCAVFQHBZRR-KGLIPLIRSA-N 2 0 296.459 1.580 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872277044 837373332 /nfs/dbraw/zinc/37/33/32/837373332.db2.gz OBXVASQKKCGDER-GHMZBOCLSA-N 2 0 273.808 1.351 10 30 CDEERP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000852870412 837875023 /nfs/dbraw/zinc/87/50/23/837875023.db2.gz NRDUTHXGRBTNHA-CYBMUJFWSA-N 2 0 279.428 1.082 10 30 CDEERP C[NH+](C)C[C@@H]1CN(c2ccncc2C#N)C[C@H]1C[NH+](C)C ZINC000866012278 838055097 /nfs/dbraw/zinc/05/50/97/838055097.db2.gz WTRYTGUXNZDJIB-HUUCEWRRSA-N 2 0 287.411 1.129 10 30 CDEERP C#CCOCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258129 839049614 /nfs/dbraw/zinc/04/96/14/839049614.db2.gz CRHTXXKACZAUHC-CQSZACIVSA-N 2 0 259.353 1.242 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000876884203 839130562 /nfs/dbraw/zinc/13/05/62/839130562.db2.gz OHCUNWOMTHTSKS-DLOVCJGASA-N 2 0 273.808 1.255 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)CCC[NH2+]1 ZINC000877451784 839850177 /nfs/dbraw/zinc/85/01/77/839850177.db2.gz QFQLSAWEYGCRNS-SQWLQELKSA-N 2 0 277.412 1.380 10 30 CDEERP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923505057 840228455 /nfs/dbraw/zinc/22/84/55/840228455.db2.gz XFDGAFXHXUVBLF-KGLIPLIRSA-N 2 0 265.401 1.104 10 30 CDEERP Cc1cccc(NC(=[NH2+])NCC2([NH+](C)C)CCOCC2)c1 ZINC000304759282 841257639 /nfs/dbraw/zinc/25/76/39/841257639.db2.gz QYXFZYZDONEUIL-UHFFFAOYSA-N 2 0 290.411 1.832 10 30 CDEERP CC[NH+]=C(NC1CC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261949612 841546981 /nfs/dbraw/zinc/54/69/81/841546981.db2.gz GYKYVJAKYXSNEA-DGCLKSJQSA-N 2 0 252.406 1.433 10 30 CDEERP C[C@H](CNC(=[NH2+])NC1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000303886804 841575138 /nfs/dbraw/zinc/57/51/38/841575138.db2.gz NZXRUYMHFYDIRR-CQSZACIVSA-N 2 0 295.475 1.107 10 30 CDEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001566074890 1168226020 /nfs/dbraw/zinc/22/60/20/1168226020.db2.gz CWTOSXRSXVUGJQ-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001266483282 895032346 /nfs/dbraw/zinc/03/23/46/895032346.db2.gz SFEUKMBJPJZZSL-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001266683936 895822436 /nfs/dbraw/zinc/82/24/36/895822436.db2.gz YXJNXSIPIZUUTG-QLFBSQMISA-N 2 0 277.412 1.119 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001267044506 896625468 /nfs/dbraw/zinc/62/54/68/896625468.db2.gz SIDAMPVVUJETBE-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001267456119 897931466 /nfs/dbraw/zinc/93/14/66/897931466.db2.gz LZXHBETXVJYUBR-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267545182 898310328 /nfs/dbraw/zinc/31/03/28/898310328.db2.gz PJVOZTLIUSRQID-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)CC)C1 ZINC001267549407 898324027 /nfs/dbraw/zinc/32/40/27/898324027.db2.gz WNRFMAULWSCPEH-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267595355 898645549 /nfs/dbraw/zinc/64/55/49/898645549.db2.gz HTBXZNBUHSBMQA-HOTGVXAUSA-N 2 0 293.455 1.685 10 30 CDEERP C#CCC[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001481186289 899083452 /nfs/dbraw/zinc/08/34/52/899083452.db2.gz NPWRPZTXVVXWDN-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001481196745 899113485 /nfs/dbraw/zinc/11/34/85/899113485.db2.gz OPAXPHVHMSZWJL-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567689252 1168916857 /nfs/dbraw/zinc/91/68/57/1168916857.db2.gz SECRMCZGDAMZFE-CVEARBPZSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001267847592 899864056 /nfs/dbraw/zinc/86/40/56/899864056.db2.gz ZRIDNCSLOCNAHX-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001267953425 900052602 /nfs/dbraw/zinc/05/26/02/900052602.db2.gz MWGDWWAGMTVQIS-KGLIPLIRSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001481495494 900923574 /nfs/dbraw/zinc/92/35/74/900923574.db2.gz APSLOTJBRZLXBD-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481497719 900924893 /nfs/dbraw/zinc/92/48/93/900924893.db2.gz LIIJLHDWEDSLGH-CABCVRRESA-N 2 0 279.428 1.130 10 30 CDEERP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001268197147 901552055 /nfs/dbraw/zinc/55/20/55/901552055.db2.gz WDYFGHXXLFJKJI-CABCVRRESA-N 2 0 291.439 1.485 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001268255027 901678241 /nfs/dbraw/zinc/67/82/41/901678241.db2.gz LEHRKXHTTDYFCD-OAHLLOKOSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268404210 902002593 /nfs/dbraw/zinc/00/25/93/902002593.db2.gz RPKKBDLETWEQPH-JKSUJKDBSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H](CC)[NH+](C)C ZINC001268457899 902161375 /nfs/dbraw/zinc/16/13/75/902161375.db2.gz AXHXXXWVUDAMSJ-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C=CC[NH2+]Cc1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001482034047 902510670 /nfs/dbraw/zinc/51/06/70/902510670.db2.gz DRIZUOWLSKYDCN-UHFFFAOYSA-N 2 0 275.396 1.530 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001498421885 902611562 /nfs/dbraw/zinc/61/15/62/902611562.db2.gz LUUBZEYXAIPVEC-OAHLLOKOSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268584616 902675151 /nfs/dbraw/zinc/67/51/51/902675151.db2.gz YYODMKJIQKBVBG-HABDOHHLSA-N 2 0 293.455 1.945 10 30 CDEERP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268625666 902838630 /nfs/dbraw/zinc/83/86/30/902838630.db2.gz IUTHTWPTJMFDCQ-MFHOCJEASA-N 2 0 279.428 1.555 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001498658913 902929829 /nfs/dbraw/zinc/92/98/29/902929829.db2.gz UAPZIUORAYLNHE-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]C[C@@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001268676463 902940953 /nfs/dbraw/zinc/94/09/53/902940953.db2.gz QQGBXMAMJMGZSS-CYBMUJFWSA-N 2 0 291.395 1.463 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001269442204 903809368 /nfs/dbraw/zinc/80/93/68/903809368.db2.gz AXTIBOXGCXAWHP-UHFFFAOYSA-N 2 0 277.412 1.429 10 30 CDEERP C=C(C)CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001269443382 903811052 /nfs/dbraw/zinc/81/10/52/903811052.db2.gz VLAUKJTVYOXLHE-UHFFFAOYSA-N 2 0 291.439 1.819 10 30 CDEERP C#CCC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001269588711 903954121 /nfs/dbraw/zinc/95/41/21/903954121.db2.gz UHJNWUOQCZNTGV-AWEZNQCLSA-N 2 0 279.428 1.369 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CCCC1 ZINC001270403817 904609007 /nfs/dbraw/zinc/60/90/07/904609007.db2.gz MVVXVHBJTCTLIO-HNNXBMFYSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C[NH+](C)C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001143566223 904706707 /nfs/dbraw/zinc/70/67/07/904706707.db2.gz VPRNLTIUBRRTJP-UHFFFAOYSA-N 2 0 275.396 1.847 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482303914 904836275 /nfs/dbraw/zinc/83/62/75/904836275.db2.gz MIROYAYJJROAFH-ZDUSSCGKSA-N 2 0 265.401 1.237 10 30 CDEERP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001270643197 904867568 /nfs/dbraw/zinc/86/75/68/904867568.db2.gz SJAOTSIWMWTDQU-QGZVFWFLSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001270830336 905114985 /nfs/dbraw/zinc/11/49/85/905114985.db2.gz QAXNTSADLZJZSZ-KRWDZBQOSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270921170 905446926 /nfs/dbraw/zinc/44/69/26/905446926.db2.gz FXZPJRZHIAZQMG-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C=CCC[NH+]1CCC(C)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001270925912 905452657 /nfs/dbraw/zinc/45/26/57/905452657.db2.gz NCFKHDNUIITKBN-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001271402437 906303720 /nfs/dbraw/zinc/30/37/20/906303720.db2.gz FBIWYZHVPKPJLE-LSDHHAIUSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001567895896 1169046938 /nfs/dbraw/zinc/04/69/38/1169046938.db2.gz YJTQONBSQVOFEX-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001271873607 906923326 /nfs/dbraw/zinc/92/33/26/906923326.db2.gz JRYVRLJNXOXZRM-IYBDPMFKSA-N 2 0 293.455 1.685 10 30 CDEERP C#CCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]21 ZINC001272223024 909221049 /nfs/dbraw/zinc/22/10/49/909221049.db2.gz CCBFNGLCUHPKFP-HOTGVXAUSA-N 2 0 291.439 1.273 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001409469168 910419841 /nfs/dbraw/zinc/41/98/41/910419841.db2.gz NXPOFUJUSBJYOP-RYUDHWBXSA-N 2 0 273.808 1.318 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001483448658 911132162 /nfs/dbraw/zinc/13/21/62/911132162.db2.gz XJXHNMGYEMFZLU-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484549583 915878484 /nfs/dbraw/zinc/87/84/84/915878484.db2.gz KWMGFBKYIDJKKV-CVEARBPZSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001484615559 915951655 /nfs/dbraw/zinc/95/16/55/915951655.db2.gz BWSXAKNSJOQNSB-CVEARBPZSA-N 2 0 291.439 1.485 10 30 CDEERP C#CCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]cn2)C(C)(C)C1 ZINC001485570489 917091086 /nfs/dbraw/zinc/09/10/86/917091086.db2.gz FAUKWTFBCAHZDJ-AWEZNQCLSA-N 2 0 288.395 1.192 10 30 CDEERP C#CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001485581574 917107104 /nfs/dbraw/zinc/10/71/04/917107104.db2.gz GPXQFRSLEOIRPU-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001272837615 919889976 /nfs/dbraw/zinc/88/99/76/919889976.db2.gz KACFNWUSXSICAO-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485955446 920595452 /nfs/dbraw/zinc/59/54/52/920595452.db2.gz MJRJJKNEVDZLBV-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001273554101 920843704 /nfs/dbraw/zinc/84/37/04/920843704.db2.gz OOAKGJHTMXFIGZ-UHFFFAOYSA-N 2 0 279.428 1.132 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC)C(C)(C)C)CC1 ZINC001486425343 921000412 /nfs/dbraw/zinc/00/04/12/921000412.db2.gz YPTCPHQGVLTNFG-OAHLLOKOSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCC1 ZINC001273114536 922049200 /nfs/dbraw/zinc/04/92/00/922049200.db2.gz XROQIVPJPIANPA-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001490945899 936834595 /nfs/dbraw/zinc/83/45/95/936834595.db2.gz LGKMFFNGGCASSB-FPCVCCKLSA-N 2 0 293.455 1.920 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491079253 936851741 /nfs/dbraw/zinc/85/17/41/936851741.db2.gz IVYZOYDWRLNRPE-MCIONIFRSA-N 2 0 265.401 1.141 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001491153409 936865802 /nfs/dbraw/zinc/86/58/02/936865802.db2.gz KVPBYORJQWWASC-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCN1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001488662852 926654893 /nfs/dbraw/zinc/65/48/93/926654893.db2.gz MHMVEPPTPFEBJD-ZIAGYGMSSA-N 2 0 265.401 1.047 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001490573822 927237068 /nfs/dbraw/zinc/23/70/68/927237068.db2.gz QSSJAGABINWNGX-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001279182849 931134119 /nfs/dbraw/zinc/13/41/19/931134119.db2.gz MIKDXCQWYOQZBJ-CABCVRRESA-N 2 0 279.428 1.036 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001274393597 931496906 /nfs/dbraw/zinc/49/69/06/931496906.db2.gz NUXWTABNEIBVCX-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001275858368 932097944 /nfs/dbraw/zinc/09/79/44/932097944.db2.gz JQDYNPCAHJPWFJ-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)C1([NH+](C)C)CCC1 ZINC001276254924 932690863 /nfs/dbraw/zinc/69/08/63/932690863.db2.gz IXMAPELBGSNSGI-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001276590010 940392590 /nfs/dbraw/zinc/39/25/90/940392590.db2.gz UOARHFWEFQUTBI-HOTGVXAUSA-N 2 0 291.439 1.389 10 30 CDEERP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001276970465 941751883 /nfs/dbraw/zinc/75/18/83/941751883.db2.gz RAGQNMAVVQBWMS-ZIAGYGMSSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001281404536 942273482 /nfs/dbraw/zinc/27/34/82/942273482.db2.gz BIESVOZQPGVBHO-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[N@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001279574801 942395454 /nfs/dbraw/zinc/39/54/54/942395454.db2.gz WLCJATORJAZUFL-UHFFFAOYSA-N 2 0 291.439 1.795 10 30 CDEERP C=CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001279631201 942398792 /nfs/dbraw/zinc/39/87/92/942398792.db2.gz VAZDIQWZVADSMY-LSDHHAIUSA-N 2 0 279.428 1.435 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001282207914 942678598 /nfs/dbraw/zinc/67/85/98/942678598.db2.gz RDJDZBXHYWWAFU-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001316623078 942773360 /nfs/dbraw/zinc/77/33/60/942773360.db2.gz SEWLJDAWPIOVEA-GASCZTMLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001284131024 943085784 /nfs/dbraw/zinc/08/57/84/943085784.db2.gz YKXUEJXSOIYGRR-UKRRQHHQSA-N 2 0 279.428 1.626 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001277937971 944126311 /nfs/dbraw/zinc/12/63/11/944126311.db2.gz MADSDLJFHCNVNU-BBRMVZONSA-N 2 0 297.418 1.269 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001265276127 944311121 /nfs/dbraw/zinc/31/11/21/944311121.db2.gz ZEDMQWWWEQGSMX-KGLIPLIRSA-N 2 0 265.401 1.237 10 30 CDEERP C#CCC[N@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265591498 944440545 /nfs/dbraw/zinc/44/05/45/944440545.db2.gz WBTJLXOPRQTARP-OAHLLOKOSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001265623923 944449633 /nfs/dbraw/zinc/44/96/33/944449633.db2.gz GWBZUNCTYFROOY-OAHLLOKOSA-N 2 0 293.455 1.426 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001265676271 944466033 /nfs/dbraw/zinc/46/60/33/944466033.db2.gz ZEMCMHBXVNGXQL-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568852038 1169517497 /nfs/dbraw/zinc/51/74/97/1169517497.db2.gz QXLRSHWETBTROX-NHQLZKDQSA-N 2 0 279.428 1.555 10 30 CDEERP C=C(C)C[N@@H+](C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001479791806 971421406 /nfs/dbraw/zinc/42/14/06/971421406.db2.gz JGSKJWQHGPZJPT-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001279016941 948606453 /nfs/dbraw/zinc/60/64/53/948606453.db2.gz FTLLPHOFGYAYRJ-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001480089678 971572275 /nfs/dbraw/zinc/57/22/75/971572275.db2.gz NTQVJSXXMKQSNT-INIZCTEOSA-N 2 0 293.455 1.520 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480158218 971607164 /nfs/dbraw/zinc/60/71/64/971607164.db2.gz LDUVLLOOUHODKU-IHRRRGAJSA-N 2 0 267.417 1.530 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480205435 971627086 /nfs/dbraw/zinc/62/70/86/971627086.db2.gz XZQBWABBWWOXBO-GASCZTMLSA-N 2 0 291.439 1.511 10 30 CDEERP C=CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001480359554 971687125 /nfs/dbraw/zinc/68/71/25/971687125.db2.gz FVHDESIVBKKZOX-LSDHHAIUSA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001493023875 971925663 /nfs/dbraw/zinc/92/56/63/971925663.db2.gz XKDXGXZHDTYWDT-MRXNPFEDSA-N 2 0 297.418 1.270 10 30 CDEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001324943720 953650601 /nfs/dbraw/zinc/65/06/01/953650601.db2.gz LASXNRDOKNTIQF-INIZCTEOSA-N 2 0 290.411 1.747 10 30 CDEERP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001325919186 954142028 /nfs/dbraw/zinc/14/20/28/954142028.db2.gz HMFDUXYUUPHUFI-HOTGVXAUSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001326398347 954360613 /nfs/dbraw/zinc/36/06/13/954360613.db2.gz PVEOYQHMLAYKRN-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001326412799 954368140 /nfs/dbraw/zinc/36/81/40/954368140.db2.gz UYQKPFNWPSOYRM-HNNXBMFYSA-N 2 0 291.439 1.487 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001326555308 954431100 /nfs/dbraw/zinc/43/11/00/954431100.db2.gz PYZAPTAZZCKEKS-JYJNAYRXSA-N 2 0 293.455 1.779 10 30 CDEERP CC#CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001327212891 954773014 /nfs/dbraw/zinc/77/30/14/954773014.db2.gz LGXARNRHAZSIGW-JKSUJKDBSA-N 2 0 293.455 1.520 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001327927238 955117261 /nfs/dbraw/zinc/11/72/61/955117261.db2.gz VTFZFBOEYOFNRZ-HOTGVXAUSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001328102187 955191142 /nfs/dbraw/zinc/19/11/42/955191142.db2.gz KTGINFXVXZFBEK-CQSZACIVSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001491772525 955414083 /nfs/dbraw/zinc/41/40/83/955414083.db2.gz NBNWHQQBCMBNIT-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C#CCC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001491964672 955551486 /nfs/dbraw/zinc/55/14/86/955551486.db2.gz AEJGJOKUIXPYLB-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001329147970 955716961 /nfs/dbraw/zinc/71/69/61/955716961.db2.gz PCMJWDFAQSKTQY-ZIAGYGMSSA-N 2 0 287.407 1.478 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001492303460 955787689 /nfs/dbraw/zinc/78/76/89/955787689.db2.gz JSVBAJLZFMNZHC-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001317180676 957325790 /nfs/dbraw/zinc/32/57/90/957325790.db2.gz LYXMHRVDAMBJNR-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001317336410 957428226 /nfs/dbraw/zinc/42/82/26/957428226.db2.gz IIGXYULTRRHUGQ-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001317359021 957436272 /nfs/dbraw/zinc/43/62/72/957436272.db2.gz UKTRWPFVHUGZFU-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001332198090 957475627 /nfs/dbraw/zinc/47/56/27/957475627.db2.gz HYADBFLMNIYNLL-UONOGXRCSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC(C)C)CC1 ZINC001319589778 958643105 /nfs/dbraw/zinc/64/31/05/958643105.db2.gz MXNNZFLCMFZPKF-OAHLLOKOSA-N 2 0 293.455 1.424 10 30 CDEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320524491 959222637 /nfs/dbraw/zinc/22/26/37/959222637.db2.gz ZUUSJAUDAMEMIQ-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001320646824 959295369 /nfs/dbraw/zinc/29/53/69/959295369.db2.gz YSJFTPXCDWMYKG-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)[C@@H](F)C[NH+](CC)CC)CCCC1 ZINC001495161466 972431187 /nfs/dbraw/zinc/43/11/87/972431187.db2.gz HQXCWNXOPVSKDY-AWEZNQCLSA-N 2 0 297.418 1.318 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001322089900 960079333 /nfs/dbraw/zinc/07/93/33/960079333.db2.gz VYOKFEXIHAGPID-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001323566913 960822195 /nfs/dbraw/zinc/82/21/95/960822195.db2.gz LRTFXCXZSWTKCI-GJZGRUSLSA-N 2 0 291.439 1.818 10 30 CDEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001324080477 961154922 /nfs/dbraw/zinc/15/49/22/961154922.db2.gz IZWHUVOUTHCPCK-GDBMZVCRSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H]2CCCCC[NH2+]2)CCC[NH2+]1 ZINC001342203991 963671335 /nfs/dbraw/zinc/67/13/35/963671335.db2.gz GBCQIVWHYYHKDJ-UKRRQHHQSA-N 2 0 265.401 1.333 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001342646278 963787442 /nfs/dbraw/zinc/78/74/42/963787442.db2.gz RLUUSSMWCFWBGN-AVGNSLFASA-N 2 0 253.390 1.113 10 30 CDEERP C=CC[C@@]1(C(=O)N(C)CC2CC[NH2+]CC2)CCC[NH2+]1 ZINC001342783206 963824237 /nfs/dbraw/zinc/82/42/37/963824237.db2.gz GASRUXDNJIFSMG-HNNXBMFYSA-N 2 0 265.401 1.143 10 30 CDEERP C=CC[C@@]1(C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)CCC[NH2+]1 ZINC001344666351 964393176 /nfs/dbraw/zinc/39/31/76/964393176.db2.gz LXNIMWHFJNOKRI-NFAWXSAZSA-N 2 0 265.401 1.128 10 30 CDEERP C=CC[N@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001569481421 1169891691 /nfs/dbraw/zinc/89/16/91/1169891691.db2.gz VTOHYAKEJFWKEY-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C1([NH+](C)C)CC1 ZINC001467728604 970097318 /nfs/dbraw/zinc/09/73/18/970097318.db2.gz NBWVUNOEQKVIHH-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001496915887 973144023 /nfs/dbraw/zinc/14/40/23/973144023.db2.gz NKWMUOKEFBMVPZ-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001498849192 974075980 /nfs/dbraw/zinc/07/59/80/974075980.db2.gz VPEOBGQGODRCAI-INIZCTEOSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001499032559 974166486 /nfs/dbraw/zinc/16/64/86/974166486.db2.gz IGHWLKGSBXQQPZ-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001499272098 974226509 /nfs/dbraw/zinc/22/65/09/974226509.db2.gz LAYSLAOCSWIUCB-UHFFFAOYSA-N 2 0 296.374 1.518 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001501149679 974541915 /nfs/dbraw/zinc/54/19/15/974541915.db2.gz FSCHHKVHWXGFEK-LSDHHAIUSA-N 2 0 279.428 1.036 10 30 CDEERP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001502784624 974783632 /nfs/dbraw/zinc/78/36/32/974783632.db2.gz XUDOXGVNIPRKHX-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC[C@@H](C)F ZINC001503263319 974817327 /nfs/dbraw/zinc/81/73/27/974817327.db2.gz GZWMRKPTJCURGQ-ILXRZTDVSA-N 2 0 297.418 1.317 10 30 CDEERP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]cnc1C ZINC001506045673 975100288 /nfs/dbraw/zinc/10/02/88/975100288.db2.gz BIVHCGUCEKNRQQ-GFCCVEGCSA-N 2 0 278.400 1.663 10 30 CDEERP C#CC[NH2+][C@H](CCN(C)C(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001506179445 975121446 /nfs/dbraw/zinc/12/14/46/975121446.db2.gz PHEZBUIKEGSVTE-MRXNPFEDSA-N 2 0 293.455 1.567 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001507070481 975324666 /nfs/dbraw/zinc/32/46/66/975324666.db2.gz FWUZXQBOMRLVLZ-CABCVRRESA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001507408659 975458323 /nfs/dbraw/zinc/45/83/23/975458323.db2.gz DYIOGAQJLLZNGM-HOCLYGCPSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001508039977 975585062 /nfs/dbraw/zinc/58/50/62/975585062.db2.gz VHBBPSVZSFZHAT-KGLIPLIRSA-N 2 0 283.460 1.879 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001406076922 976005036 /nfs/dbraw/zinc/00/50/36/976005036.db2.gz VOOZZZGTNIFQGE-QWHCGFSZSA-N 2 0 287.835 1.421 10 30 CDEERP C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001492819304 977769547 /nfs/dbraw/zinc/76/95/47/977769547.db2.gz QMHHPBXVYFJVFE-CYBMUJFWSA-N 2 0 255.406 1.341 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001674976772 1174051471 /nfs/dbraw/zinc/05/14/71/1174051471.db2.gz QOFGQRWJOYWVOZ-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001676056637 1174177742 /nfs/dbraw/zinc/17/77/42/1174177742.db2.gz BEOFZWWOXQTOIM-INIZCTEOSA-N 2 0 293.455 1.970 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001570780758 1170280095 /nfs/dbraw/zinc/28/00/95/1170280095.db2.gz BTXOIOHPXXOJFJ-GJZGRUSLSA-N 2 0 279.428 1.034 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001570851746 1170300015 /nfs/dbraw/zinc/30/00/15/1170300015.db2.gz HUSOEUVRTWBEJD-CYBMUJFWSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]2C1 ZINC001656843226 1171885220 /nfs/dbraw/zinc/88/52/20/1171885220.db2.gz QMBRSUGLMHRPSS-CVEARBPZSA-N 2 0 291.439 1.132 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001657058846 1171921403 /nfs/dbraw/zinc/92/14/03/1171921403.db2.gz GOLGDXGOUIMPMH-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP C#C[C@@H]([NH2+]CC1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC001657841916 1171991233 /nfs/dbraw/zinc/99/12/33/1171991233.db2.gz USLKEMDIOPVVFA-CABCVRRESA-N 2 0 250.386 1.489 10 30 CDEERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CCCCC#N)[C@H](C)C1 ZINC000594439643 342906522 /nfs/dbraw/zinc/90/65/22/342906522.db2.gz TZYJFZPZGKVFGJ-KFWWJZLASA-N 2 0 294.443 1.586 10 30 CDEERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440651 342907089 /nfs/dbraw/zinc/90/70/89/342907089.db2.gz HJQAUYWMZOKEMJ-KGLIPLIRSA-N 2 0 280.416 1.198 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000594452245 342910394 /nfs/dbraw/zinc/91/03/94/342910394.db2.gz GDZGIRXXRXKESG-JVWICGRDSA-N 2 0 278.400 1.128 10 30 CDEERP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CC[NH3+] ZINC000594454117 342911122 /nfs/dbraw/zinc/91/11/22/342911122.db2.gz TYNDOECTADRUMN-RDBSUJKOSA-N 2 0 280.416 1.374 10 30 CDEERP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000600715714 342244180 /nfs/dbraw/zinc/24/41/80/342244180.db2.gz HTNJTICWTVGNMH-IHRRRGAJSA-N 2 0 263.385 1.258 10 30 CDEERP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600721071 342244770 /nfs/dbraw/zinc/24/47/70/342244770.db2.gz KUJGAIRPKWGVSJ-KBPBESRZSA-N 2 0 265.401 1.363 10 30 CDEERP N#CCc1cccc2c1CC[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000600752444 342248253 /nfs/dbraw/zinc/24/82/53/342248253.db2.gz XJNLPRLBJGGSFJ-UHFFFAOYSA-N 2 0 284.407 1.016 10 30 CDEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000595058374 343000532 /nfs/dbraw/zinc/00/05/32/343000532.db2.gz AORKPQLKWFFVKK-KKUMJFAQSA-N 2 0 266.433 1.540 10 30 CDEERP C[NH2+]CCC[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595909692 343189541 /nfs/dbraw/zinc/18/95/41/343189541.db2.gz MRCALCLJBRGAJR-UHFFFAOYSA-N 2 0 273.380 1.763 10 30 CDEERP CN(CCC[NH+](C)C)CCNc1ccc(F)cc1C#N ZINC000596424274 343311586 /nfs/dbraw/zinc/31/15/86/343311586.db2.gz FMHHZELFDYJRML-UHFFFAOYSA-N 2 0 278.375 1.993 10 30 CDEERP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCOCCC[NH3+] ZINC000600710048 349876792 /nfs/dbraw/zinc/87/67/92/349876792.db2.gz NOQZKVAKNSSPEG-INIZCTEOSA-N 2 0 273.380 1.891 10 30 CDEERP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000601976114 344305133 /nfs/dbraw/zinc/30/51/33/344305133.db2.gz ROFUUCRHXMKXGQ-CHWSQXEVSA-N 2 0 280.416 1.292 10 30 CDEERP COc1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1C#N ZINC000602020776 350046203 /nfs/dbraw/zinc/04/62/03/350046203.db2.gz NVCOEADJVNEXNO-RISCZKNCSA-N 2 0 259.353 1.593 10 30 CDEERP CC(C)[N@@H+]1CC[C@H](CNCc2nc(C#N)cs2)C1 ZINC000386384367 366987562 /nfs/dbraw/zinc/98/75/62/366987562.db2.gz SFNAZWSJURSOHE-LLVKDONJSA-N 2 0 264.398 1.835 10 30 CDEERP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000358594743 373965045 /nfs/dbraw/zinc/96/50/45/373965045.db2.gz TWPJHBAYRATECE-GFCCVEGCSA-N 2 0 291.370 1.805 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001663423655 1172691465 /nfs/dbraw/zinc/69/14/65/1172691465.db2.gz YRSPWMSKTMTROS-UHFFFAOYSA-N 2 0 267.417 1.036 10 30 CDEERP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])NC2CC2)C1 ZINC000058184988 390497943 /nfs/dbraw/zinc/49/79/43/390497943.db2.gz IPMGGSWNQQULLB-LBPRGKRZSA-N 2 0 252.406 1.565 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2CC)CCC[NH2+]1 ZINC000662661194 413265583 /nfs/dbraw/zinc/26/55/83/413265583.db2.gz MIUXJPZPNHPCCE-ZFWWWQNUSA-N 2 0 265.401 1.285 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@@H](CC[NH3+])C2)CCC[NH2+]1 ZINC000662774285 413472322 /nfs/dbraw/zinc/47/23/22/413472322.db2.gz QITGHUZYIZSBSM-DZGCQCFKSA-N 2 0 265.401 1.272 10 30 CDEERP CC(C)[NH+]1CCN(Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683727 175092218 /nfs/dbraw/zinc/09/22/18/175092218.db2.gz VWJXBJRLHYMOQC-UHFFFAOYSA-N 2 0 277.437 1.584 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001667216718 1173246123 /nfs/dbraw/zinc/24/61/23/1173246123.db2.gz KFBCIKILBXOCMU-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP N#Cc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)o1 ZINC000530249656 271183557 /nfs/dbraw/zinc/18/35/57/271183557.db2.gz XJMZMZOGXWRYBA-OAHLLOKOSA-N 2 0 289.379 1.742 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001673962047 1173902316 /nfs/dbraw/zinc/90/23/16/1173902316.db2.gz SMXJHINRGYDBKP-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262454763 330014285 /nfs/dbraw/zinc/01/42/85/330014285.db2.gz KUQMDBZUNKOAMG-ZIAGYGMSSA-N 2 0 282.432 1.142 10 30 CDEERP CC[NH+]=C(NC1CCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000262823546 330034175 /nfs/dbraw/zinc/03/41/75/330034175.db2.gz YXRLXXNKCRFGQR-GFCCVEGCSA-N 2 0 250.390 1.331 10 30 CDEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001699859851 1176654002 /nfs/dbraw/zinc/65/40/02/1176654002.db2.gz UVEZNHOYPPZETG-MRXNPFEDSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001699876233 1176664809 /nfs/dbraw/zinc/66/48/09/1176664809.db2.gz ZXWJXJBTQARADU-MRXNPFEDSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001700890564 1160070631 /nfs/dbraw/zinc/07/06/31/1160070631.db2.gz WTQFUOWHBZZRSM-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001496792665 1160642877 /nfs/dbraw/zinc/64/28/77/1160642877.db2.gz IADPLCHMPQENJX-MRXNPFEDSA-N 2 0 293.455 1.664 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001483337631 1160907004 /nfs/dbraw/zinc/90/70/04/1160907004.db2.gz MVNAARJTTHETAG-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001715518283 1179694113 /nfs/dbraw/zinc/69/41/13/1179694113.db2.gz ADPGSGGIVPXTOJ-AWEZNQCLSA-N 2 0 269.433 1.539 10 30 CDEERP CC(C)C[NH+]1CCN(Cc2ccccc2C#CC[NH3+])CC1 ZINC000055080706 519727103 /nfs/dbraw/zinc/72/71/03/519727103.db2.gz PDDNNPJQOWHLDP-UHFFFAOYSA-N 2 0 285.435 1.770 10 30 CDEERP CC[NH+]1CCC(C[NH2+]Cc2ccnc(C#N)c2)CC1 ZINC000068754393 521550980 /nfs/dbraw/zinc/55/09/80/521550980.db2.gz DAUUOQSIXJRTCI-UHFFFAOYSA-N 2 0 258.369 1.775 10 30 CDEERP COCC[NH+](CCOC)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609867 523719691 /nfs/dbraw/zinc/71/96/91/523719691.db2.gz MUHFCANXUMJBHN-UHFFFAOYSA-N 2 0 294.370 1.231 10 30 CDEERP N#Cc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)ccn1 ZINC000068757952 526547693 /nfs/dbraw/zinc/54/76/93/526547693.db2.gz VEKZMKRWCQLQLO-MRXNPFEDSA-N 2 0 270.380 1.917 10 30 CDEERP CCN(CCC[NH+]1CCCC1)C(=O)NCC#CC[NH+](C)C ZINC001685773569 1174688216 /nfs/dbraw/zinc/68/82/16/1174688216.db2.gz ZHGOOFMSJANWJT-UHFFFAOYSA-N 2 0 294.443 1.069 10 30 CDEERP C=CCCN1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001688699360 1175012631 /nfs/dbraw/zinc/01/26/31/1175012631.db2.gz AFCFIASICMXADS-HOTGVXAUSA-N 2 0 291.439 1.724 10 30 CDEERP C#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941158743 613225522 /nfs/dbraw/zinc/22/55/22/613225522.db2.gz UZLNINXMTNSIKC-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941215171 613534985 /nfs/dbraw/zinc/53/49/85/613534985.db2.gz MRXPZJFBLGIZEG-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940753074 613745405 /nfs/dbraw/zinc/74/54/05/613745405.db2.gz JNUWZHMWTHGHGG-RBSFLKMASA-N 2 0 293.455 1.729 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000939453683 613868414 /nfs/dbraw/zinc/86/84/14/613868414.db2.gz LXPCYJUFMNDQHV-GOEBONIOSA-N 2 0 293.455 1.729 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939389731 613874588 /nfs/dbraw/zinc/87/45/88/613874588.db2.gz WDJLERGFPMPYGG-CABCVRRESA-N 2 0 279.428 1.341 10 30 CDEERP N#C[C@H]1CCC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925848082 617884215 /nfs/dbraw/zinc/88/42/15/617884215.db2.gz ZTSNHJXKOVRNNP-JKSUJKDBSA-N 2 0 278.444 1.734 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000900442318 623063917 /nfs/dbraw/zinc/06/39/17/623063917.db2.gz PRAIVOYFQAJGIE-HNNXBMFYSA-N 2 0 279.428 1.581 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(CCC)CC[NH+](C)C ZINC000900586927 623261364 /nfs/dbraw/zinc/26/13/64/623261364.db2.gz SQJLZECJWMUNQS-UHFFFAOYSA-N 2 0 255.406 1.295 10 30 CDEERP C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900607350 623288033 /nfs/dbraw/zinc/28/80/33/623288033.db2.gz BHVDCYSKMNALHZ-UONOGXRCSA-N 2 0 290.411 1.107 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000900627251 623312737 /nfs/dbraw/zinc/31/27/37/623312737.db2.gz YLVTWMKSLBXPDZ-HNNXBMFYSA-N 2 0 279.428 1.581 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000900706416 623387867 /nfs/dbraw/zinc/38/78/67/623387867.db2.gz IGNCJMCUKJCRRU-UHFFFAOYSA-N 2 0 265.401 1.191 10 30 CDEERP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(Cl)cc(C#N)c1 ZINC000903422651 625994056 /nfs/dbraw/zinc/99/40/56/625994056.db2.gz HSGJZYPQJDPJQN-UHFFFAOYSA-N 2 0 292.814 1.549 10 30 CDEERP C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)C1=O ZINC000903810719 626100867 /nfs/dbraw/zinc/10/08/67/626100867.db2.gz GAVYTSXMVKQYIT-GJZGRUSLSA-N 2 0 291.439 1.757 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000876939992 630585925 /nfs/dbraw/zinc/58/59/25/630585925.db2.gz OEVHKEHTULBDBG-LBPRGKRZSA-N 2 0 273.808 1.399 10 30 CDEERP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001691170500 1158942995 /nfs/dbraw/zinc/94/29/95/1158942995.db2.gz CNQMSXWPUCASPN-JKSUJKDBSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691196587 1158954808 /nfs/dbraw/zinc/95/48/08/1158954808.db2.gz VCFJXYSPSYASMS-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001691305864 1159008292 /nfs/dbraw/zinc/00/82/92/1159008292.db2.gz QASBRDSQUZWSAB-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001266559648 1158622729 /nfs/dbraw/zinc/62/27/29/1158622729.db2.gz HWGOXKIWMKNFFQ-DLBZAZTESA-N 2 0 299.418 1.503 10 30 CDEERP CC#CC[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268068003 1159774405 /nfs/dbraw/zinc/77/44/05/1159774405.db2.gz IFIBOZSPWGMMBK-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001566893347 1168040806 /nfs/dbraw/zinc/04/08/06/1168040806.db2.gz FVAZECOISAGWER-HRCADAONSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001565865851 1168190326 /nfs/dbraw/zinc/19/03/26/1168190326.db2.gz QDUMLXNVODHGGK-YHUYYLMFSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567412275 1168743780 /nfs/dbraw/zinc/74/37/80/1168743780.db2.gz ZLTSLNWIYXVXHE-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001568121848 1169139736 /nfs/dbraw/zinc/13/97/36/1169139736.db2.gz PWAORJHGJBYAIT-QGZVFWFLSA-N 2 0 299.418 1.367 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001568850368 1169517817 /nfs/dbraw/zinc/51/78/17/1169517817.db2.gz KROIICRXDCDWMR-ZRUQZJFASA-N 2 0 299.846 1.874 10 30 CDEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001569308262 1169757685 /nfs/dbraw/zinc/75/76/85/1169757685.db2.gz YAMFUAGWDSRBJL-GJZGRUSLSA-N 2 0 279.428 1.080 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001569431990 1169878917 /nfs/dbraw/zinc/87/89/17/1169878917.db2.gz KOKJHTMRUBMUML-OAHLLOKOSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001569446916 1169882879 /nfs/dbraw/zinc/88/28/79/1169882879.db2.gz IJPDTEXKSUJQQM-CABCVRRESA-N 2 0 277.412 1.027 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001569613442 1169937260 /nfs/dbraw/zinc/93/72/60/1169937260.db2.gz FUGUNTGQOKNWAR-INIZCTEOSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC=C)CC1 ZINC001570654064 1170224281 /nfs/dbraw/zinc/22/42/81/1170224281.db2.gz ZNIYOTHMKOPJKX-GJZGRUSLSA-N 2 0 291.439 1.391 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001570720393 1170253685 /nfs/dbraw/zinc/25/36/85/1170253685.db2.gz RBGSHRRFCJAWJL-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001570907997 1170318188 /nfs/dbraw/zinc/31/81/88/1170318188.db2.gz SJLDGVRPWDPQRD-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001571363082 1170386029 /nfs/dbraw/zinc/38/60/29/1170386029.db2.gz WAIIDYPQBFVRSF-HZPDHXFCSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001571466463 1170440925 /nfs/dbraw/zinc/44/09/25/1170440925.db2.gz VRPYRLNFHRPJKK-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001571492347 1170453478 /nfs/dbraw/zinc/45/34/78/1170453478.db2.gz CKVCZTPGHTUDCS-HOTGVXAUSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001662779429 1172593101 /nfs/dbraw/zinc/59/31/01/1172593101.db2.gz NICIPDHIPJPLDW-CABCVRRESA-N 2 0 291.439 1.369 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001665810438 1173065611 /nfs/dbraw/zinc/06/56/11/1173065611.db2.gz VXRMFFXWSVKIFF-CQSZACIVSA-N 2 0 298.390 1.764 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001666333062 1173127315 /nfs/dbraw/zinc/12/73/15/1173127315.db2.gz CSTCTSDFPAHEJV-UHFFFAOYSA-N 2 0 299.418 1.510 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]C(C)C)CC1 ZINC001666673833 1173169234 /nfs/dbraw/zinc/16/92/34/1173169234.db2.gz XACYDRVWBLPQAK-AWEZNQCLSA-N 2 0 279.428 1.082 10 30 CDEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@H+](C)C1CCC1 ZINC001667092658 1173234000 /nfs/dbraw/zinc/23/40/00/1173234000.db2.gz MOKVBSIILXMYBT-AWEZNQCLSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001668614536 1173432323 /nfs/dbraw/zinc/43/23/23/1173432323.db2.gz XZUAKIRFLYOKMM-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001669867939 1173620710 /nfs/dbraw/zinc/62/07/10/1173620710.db2.gz LRBVMKBTYUCJLJ-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001669980501 1173639445 /nfs/dbraw/zinc/63/94/45/1173639445.db2.gz KIHQSNJAXHGXBG-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001676273100 1174199491 /nfs/dbraw/zinc/19/94/91/1174199491.db2.gz IFQNIJPNOIVRML-HOTGVXAUSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001688946289 1175074289 /nfs/dbraw/zinc/07/42/89/1175074289.db2.gz WCSOQRHOZWAUDQ-JYJNAYRXSA-N 2 0 293.455 1.615 10 30 CDEERP C=CCC[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001690874981 1175597775 /nfs/dbraw/zinc/59/77/75/1175597775.db2.gz XYJAJGYPJMMZEA-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001691831831 1175633035 /nfs/dbraw/zinc/63/30/35/1175633035.db2.gz TZLBKEPIQYOGFR-BZUAXINKSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001691978986 1175662092 /nfs/dbraw/zinc/66/20/92/1175662092.db2.gz BWNHUAWVCLIFDQ-HZPDHXFCSA-N 2 0 291.439 1.132 10 30 CDEERP C=CC[NH2+]C[C@@](C)(NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001698654803 1175887816 /nfs/dbraw/zinc/88/78/16/1175887816.db2.gz XHZZEVHVHGLCLT-CZUORRHYSA-N 2 0 279.428 1.389 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001698767761 1175925247 /nfs/dbraw/zinc/92/52/47/1175925247.db2.gz JNNACLZUSZDCNG-CQSZACIVSA-N 2 0 281.444 1.330 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001698919617 1175984938 /nfs/dbraw/zinc/98/49/38/1175984938.db2.gz CSRYLXKHJPHMEW-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001698954770 1175993890 /nfs/dbraw/zinc/99/38/90/1175993890.db2.gz WAYPVCZBPLICPC-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001698978639 1176003326 /nfs/dbraw/zinc/00/33/26/1176003326.db2.gz WZHURKZJASGCOJ-AWEZNQCLSA-N 2 0 279.428 1.389 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001699346129 1176274679 /nfs/dbraw/zinc/27/46/79/1176274679.db2.gz TYOGLEOBBPMLMJ-YOQOKRQFSA-N 2 0 265.401 1.307 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC(=C)Cl)CC1 ZINC001699432999 1176394756 /nfs/dbraw/zinc/39/47/56/1176394756.db2.gz IYADMEXPGVHGFJ-ZDUSSCGKSA-N 2 0 297.830 1.178 10 30 CDEERP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001699969908 1176702222 /nfs/dbraw/zinc/70/22/22/1176702222.db2.gz QGQACAGWRLNHMH-LSDHHAIUSA-N 2 0 293.455 1.282 10 30 CDEERP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001699989658 1176708672 /nfs/dbraw/zinc/70/86/72/1176708672.db2.gz LFZHBAHHQYNUJB-OWCLPIDISA-N 2 0 291.439 1.130 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001700191066 1176792882 /nfs/dbraw/zinc/79/28/82/1176792882.db2.gz PLTGVJNKTGCQTE-UHFFFAOYSA-N 2 0 279.428 1.274 10 30 CDEERP C=CCCC[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001700380772 1176886151 /nfs/dbraw/zinc/88/61/51/1176886151.db2.gz GZCTUZHPNZYTTD-UHFFFAOYSA-N 2 0 291.439 1.533 10 30 CDEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001700645129 1177053648 /nfs/dbraw/zinc/05/36/48/1177053648.db2.gz ABPUPTRKBCMJFP-WKILWMFISA-N 2 0 291.439 1.370 10 30 CDEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001707123473 1177953725 /nfs/dbraw/zinc/95/37/25/1177953725.db2.gz QUGBRKJNRBBDOZ-RRFJBIMHSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(C)C[NH+]1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001713053216 1178331786 /nfs/dbraw/zinc/33/17/86/1178331786.db2.gz QTCXPAHZXRSIIW-UHFFFAOYSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713134695 1178388471 /nfs/dbraw/zinc/38/84/71/1178388471.db2.gz SDOHIQRCCZYGQO-MRXNPFEDSA-N 2 0 293.455 1.522 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001713342495 1178511110 /nfs/dbraw/zinc/51/11/10/1178511110.db2.gz IJJOWDGQHQFQFF-KBPBESRZSA-N 2 0 285.407 1.290 10 30 CDEERP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001713520672 1178622135 /nfs/dbraw/zinc/62/21/35/1178622135.db2.gz ZEDPUFFFSCDPHZ-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001713682490 1178708024 /nfs/dbraw/zinc/70/80/24/1178708024.db2.gz BZCMAWZPZGUDLZ-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001713775580 1178748487 /nfs/dbraw/zinc/74/84/87/1178748487.db2.gz OEOHRLKGECEXJF-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001714278873 1179063172 /nfs/dbraw/zinc/06/31/72/1179063172.db2.gz PJJQXOWXQZTGCH-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001714290981 1179068387 /nfs/dbraw/zinc/06/83/87/1179068387.db2.gz IMAZAVUBWCZVJO-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714311017 1179080319 /nfs/dbraw/zinc/08/03/19/1179080319.db2.gz XFMWNFOZZXFXJY-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCCC1 ZINC001714497183 1179170915 /nfs/dbraw/zinc/17/09/15/1179170915.db2.gz NIQYIOHULDKAFM-UHFFFAOYSA-N 2 0 277.412 1.123 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001714617404 1179271415 /nfs/dbraw/zinc/27/14/15/1179271415.db2.gz HNSSETZXKSKKKC-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001715563653 1179718319 /nfs/dbraw/zinc/71/83/19/1179718319.db2.gz QJPQYMUIOZSCKG-CABCVRRESA-N 2 0 279.428 1.389 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001715655147 1179754831 /nfs/dbraw/zinc/75/48/31/1179754831.db2.gz KSXJRPYGFKGSGG-GFCCVEGCSA-N 2 0 287.835 1.708 10 30 CDEERP C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001715798104 1179826732 /nfs/dbraw/zinc/82/67/32/1179826732.db2.gz JMZXGNXLCRDORL-UZYOAWRESA-N 2 0 265.401 1.309 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715928750 1179922504 /nfs/dbraw/zinc/92/25/04/1179922504.db2.gz XIEHXLNMZLGGEJ-KGLIPLIRSA-N 2 0 267.417 1.530 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001716377985 1180174448 /nfs/dbraw/zinc/17/44/48/1180174448.db2.gz DQPPUGURURKPTH-JBZXTQMFSA-N 2 0 279.428 1.697 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001716432285 1180205907 /nfs/dbraw/zinc/20/59/07/1180205907.db2.gz WVYJQLCTOUJSCN-STQMWFEESA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001716631912 1180316235 /nfs/dbraw/zinc/31/62/35/1180316235.db2.gz QTSIMHFHFVILHD-HOTGVXAUSA-N 2 0 291.439 1.224 10 30 CDEERP C=CCCC[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001716661160 1180345823 /nfs/dbraw/zinc/34/58/23/1180345823.db2.gz FTJDACGOCKJCIO-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001716902666 1180458145 /nfs/dbraw/zinc/45/81/45/1180458145.db2.gz LIRPDQGFSVFRRX-INIZCTEOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001716971687 1180486376 /nfs/dbraw/zinc/48/63/76/1180486376.db2.gz QHPYLEXNKRDHRH-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001717085372 1180528013 /nfs/dbraw/zinc/52/80/13/1180528013.db2.gz JFFMUIFBMKPEEQ-CABCVRRESA-N 2 0 297.418 1.128 10 30 CDEERP C#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001717202368 1180569672 /nfs/dbraw/zinc/56/96/72/1180569672.db2.gz RFGBSGGGUANVSH-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001717213278 1180577087 /nfs/dbraw/zinc/57/70/87/1180577087.db2.gz GXHPYERCIBKIFL-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001717434099 1180669634 /nfs/dbraw/zinc/66/96/34/1180669634.db2.gz BJJLJIOTSBGEAI-KBPBESRZSA-N 2 0 267.417 1.224 10 30 CDEERP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001717560950 1180740124 /nfs/dbraw/zinc/74/01/24/1180740124.db2.gz XXDCRKBVVAKAPO-HIFRSBDPSA-N 2 0 279.428 1.032 10 30 CDEERP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001717661080 1180782041 /nfs/dbraw/zinc/78/20/41/1180782041.db2.gz IHAXBQHUBYQYBC-STQMWFEESA-N 2 0 287.835 1.708 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1 ZINC001724613323 1181703818 /nfs/dbraw/zinc/70/38/18/1181703818.db2.gz UJRCHDMEVQPQKL-WKILWMFISA-N 2 0 293.455 1.474 10 30 CDEERP C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001725410089 1181990671 /nfs/dbraw/zinc/99/06/71/1181990671.db2.gz LYEGGCXKXYTOLK-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001725595854 1182066436 /nfs/dbraw/zinc/06/64/36/1182066436.db2.gz PRVZGXJHIAQFLX-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[N@H+](CC)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001731316490 1182314385 /nfs/dbraw/zinc/31/43/85/1182314385.db2.gz ASDPFZHPMGBQKR-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001731410746 1182370601 /nfs/dbraw/zinc/37/06/01/1182370601.db2.gz JGJHMZMITOUWDV-HNNXBMFYSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001731561092 1182448950 /nfs/dbraw/zinc/44/89/50/1182448950.db2.gz YRXWGYLYKBKHHU-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001731733677 1182539965 /nfs/dbraw/zinc/53/99/65/1182539965.db2.gz RJPHCKBTPOGAPK-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001732077890 1182755543 /nfs/dbraw/zinc/75/55/43/1182755543.db2.gz HNZQDSOGZNOMOF-INIZCTEOSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001732207041 1182856676 /nfs/dbraw/zinc/85/66/76/1182856676.db2.gz VTZDIOZOGPJVIA-CQSZACIVSA-N 2 0 279.428 1.675 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001732524913 1182996100 /nfs/dbraw/zinc/99/61/00/1182996100.db2.gz OOCKTUIXQQOQER-GDBMZVCRSA-N 2 0 291.439 1.178 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001732631731 1183057093 /nfs/dbraw/zinc/05/70/93/1183057093.db2.gz WGOFEMBNXSMLQP-HZPDHXFCSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001733249531 1183370461 /nfs/dbraw/zinc/37/04/61/1183370461.db2.gz DHGWCDCMLIDPRC-UHFFFAOYSA-N 2 0 277.412 1.123 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001733904172 1183562985 /nfs/dbraw/zinc/56/29/85/1183562985.db2.gz ZIUSAHHNKXLSDJ-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[NH2+][C@@H](CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001734084200 1183652646 /nfs/dbraw/zinc/65/26/46/1183652646.db2.gz YJYIIAMJTTWPGH-HOTGVXAUSA-N 2 0 293.455 1.424 10 30 CDEERP C=CC[NH+](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001734270816 1183708752 /nfs/dbraw/zinc/70/87/52/1183708752.db2.gz CIZYZIFUKVTUHN-UHFFFAOYSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(C)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001734577060 1183830953 /nfs/dbraw/zinc/83/09/53/1183830953.db2.gz SOJJEELYKOQHDE-AWEZNQCLSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876756758 844270837 /nfs/dbraw/zinc/27/08/37/844270837.db2.gz XWHMYTSXSGSJOT-ZBFHGGJFSA-N 2 0 277.412 1.285 10 30 CDEERP N#CCN1CCC([NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925608847 844401937 /nfs/dbraw/zinc/40/19/37/844401937.db2.gz KREXGRCRQFAFQD-CQSZACIVSA-N 2 0 262.401 1.239 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](CC)CC1 ZINC000876709303 843484255 /nfs/dbraw/zinc/48/42/55/843484255.db2.gz OIBNQBLBPMZNFW-LLVKDONJSA-N 2 0 259.781 1.057 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000876535530 844901698 /nfs/dbraw/zinc/90/16/98/844901698.db2.gz JMFYJYHMWWXVBG-CMPLNLGQSA-N 2 0 261.797 1.336 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+]1CCCC[C@@H]1C ZINC000303906746 845110351 /nfs/dbraw/zinc/11/03/51/845110351.db2.gz WGJOIKZXPXMBCN-LSDHHAIUSA-N 3 0 295.475 1.249 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000876919401 845731549 /nfs/dbraw/zinc/73/15/49/845731549.db2.gz VSMGYFIVTGEFQW-UONOGXRCSA-N 2 0 293.798 1.629 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000876772714 845904093 /nfs/dbraw/zinc/90/40/93/845904093.db2.gz RLMJXNMEWLZCBK-QWRGUYRKSA-N 2 0 275.824 1.549 10 30 CDEERP C[C@H]([NH3+])c1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852798322 846047254 /nfs/dbraw/zinc/04/72/54/846047254.db2.gz HZWWREAEVUMPEP-LBPRGKRZSA-N 2 0 271.364 1.648 10 30 CDEERP C#C[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](C#C)C2)C1 ZINC000847021751 846181730 /nfs/dbraw/zinc/18/17/30/846181730.db2.gz OMDZRBRCHKMENS-ROUUACIJSA-N 2 0 288.435 1.693 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000876956906 846590748 /nfs/dbraw/zinc/59/07/48/846590748.db2.gz RJMZDXHJHRHHTP-AVGNSLFASA-N 2 0 285.819 1.589 10 30 CDEERP C[NH+]=C(NCC(C)(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245615541 846598256 /nfs/dbraw/zinc/59/82/56/846598256.db2.gz MOCLIRIKESYXTP-CHWSQXEVSA-N 2 0 268.449 1.926 10 30 CDEERP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923505056 846790558 /nfs/dbraw/zinc/79/05/58/846790558.db2.gz XFDGAFXHXUVBLF-KBPBESRZSA-N 2 0 265.401 1.104 10 30 CDEERP C=C(Cl)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863575984 846817758 /nfs/dbraw/zinc/81/77/58/846817758.db2.gz OHEGYIWXVKVGIX-ZDUSSCGKSA-N 2 0 258.793 1.829 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000876867042 847419338 /nfs/dbraw/zinc/41/93/38/847419338.db2.gz PCXNKXRWLWXZEI-GFCCVEGCSA-N 2 0 265.744 1.698 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000876722855 847450145 /nfs/dbraw/zinc/45/01/45/847450145.db2.gz GSRLTDZLQVZTFR-VXGBXAGGSA-N 2 0 273.808 1.447 10 30 CDEERP C#CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CSC1 ZINC000878910078 847500436 /nfs/dbraw/zinc/50/04/36/847500436.db2.gz NBZQBJQTSJOGOM-UHFFFAOYSA-N 2 0 295.496 1.453 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000876530278 847888749 /nfs/dbraw/zinc/88/87/49/847888749.db2.gz RVUSFITTYHJBQR-LBPRGKRZSA-N 2 0 279.771 1.741 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000876898776 847973354 /nfs/dbraw/zinc/97/33/54/847973354.db2.gz VRBKPDHZCXMPKT-LLVKDONJSA-N 2 0 259.781 1.009 10 30 CDEERP CC#CCN(C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001567307090 1168052693 /nfs/dbraw/zinc/05/26/93/1168052693.db2.gz NCPJCGYVOCZWNW-OAHLLOKOSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566674509 1168381805 /nfs/dbraw/zinc/38/18/05/1168381805.db2.gz SSJFKKOENGOKHD-OLZOCXBDSA-N 2 0 253.390 1.093 10 30 CDEERP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001566826382 1168434666 /nfs/dbraw/zinc/43/46/66/1168434666.db2.gz GZCHBGSQARQMJV-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567403636 1168736496 /nfs/dbraw/zinc/73/64/96/1168736496.db2.gz PLPWMYYVYDCLKF-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266353024 894517332 /nfs/dbraw/zinc/51/73/32/894517332.db2.gz MXNMWZSNSAXVFK-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001266423063 894796992 /nfs/dbraw/zinc/79/69/92/894796992.db2.gz ZZZVPJAVVJCGCU-LSDHHAIUSA-N 2 0 279.428 1.627 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001266877945 896267848 /nfs/dbraw/zinc/26/78/48/896267848.db2.gz HIAWCDUSEURFOH-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267026545 896590850 /nfs/dbraw/zinc/59/08/50/896590850.db2.gz PJDIIBKQVAJPLL-HOTGVXAUSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001267068254 896680458 /nfs/dbraw/zinc/68/04/58/896680458.db2.gz WXAFZZZNWYMPLX-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001267380378 897791618 /nfs/dbraw/zinc/79/16/18/897791618.db2.gz JVHZUNDKIXRYDT-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001267493221 898149094 /nfs/dbraw/zinc/14/90/94/898149094.db2.gz DPBZNHIPRBYRIW-GDBMZVCRSA-N 2 0 293.455 1.423 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001267548515 898322832 /nfs/dbraw/zinc/32/28/32/898322832.db2.gz GXLUMMADZCNKME-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001496233992 898441815 /nfs/dbraw/zinc/44/18/15/898441815.db2.gz PNVNVBAEFRRLHY-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[N@H+](CC)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001481005171 898462437 /nfs/dbraw/zinc/46/24/37/898462437.db2.gz RBYZBDYDCWPLTE-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267584195 898555996 /nfs/dbraw/zinc/55/59/96/898555996.db2.gz YPFHLRWMYPSSCL-BZUAXINKSA-N 2 0 293.455 1.683 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267743986 899531330 /nfs/dbraw/zinc/53/13/30/899531330.db2.gz CWQHHUWFQKONFH-CYBMUJFWSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001496366387 899926452 /nfs/dbraw/zinc/92/64/52/899926452.db2.gz BVNJBSQQMHHZRC-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481497721 900926031 /nfs/dbraw/zinc/92/60/31/900926031.db2.gz LIIJLHDWEDSLGH-GJZGRUSLSA-N 2 0 279.428 1.130 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001268213053 901581694 /nfs/dbraw/zinc/58/16/94/901581694.db2.gz MAGRNGGMFQNOEW-MCIONIFRSA-N 2 0 267.417 1.243 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001268288107 901753965 /nfs/dbraw/zinc/75/39/65/901753965.db2.gz BFVSFERSZWZURO-GJZGRUSLSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268698158 902983309 /nfs/dbraw/zinc/98/33/09/902983309.db2.gz OCCKJJRXOWAJIG-AWEZNQCLSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001268732386 903049670 /nfs/dbraw/zinc/04/96/70/903049670.db2.gz JCINQBSQHWXKHR-ZIAGYGMSSA-N 2 0 285.407 1.126 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001269876229 904175013 /nfs/dbraw/zinc/17/50/13/904175013.db2.gz QEPPKYCVNCSHHC-CQSZACIVSA-N 2 0 279.428 1.437 10 30 CDEERP C=CC[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001269935129 904220300 /nfs/dbraw/zinc/22/03/00/904220300.db2.gz JOCBJONMLPIKDJ-MRXNPFEDSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001567840308 1169008953 /nfs/dbraw/zinc/00/89/53/1169008953.db2.gz OEUNQZKTWBVNPV-AWEZNQCLSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482298424 904752157 /nfs/dbraw/zinc/75/21/57/904752157.db2.gz JQNLSEXXQVYYRF-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482303386 904822974 /nfs/dbraw/zinc/82/29/74/904822974.db2.gz BKPSVFBJZCTPEA-CQSZACIVSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001482339778 905108115 /nfs/dbraw/zinc/10/81/15/905108115.db2.gz VIVCIOPCKRGTGN-CVEARBPZSA-N 2 0 293.455 1.709 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001271181991 906150916 /nfs/dbraw/zinc/15/09/16/906150916.db2.gz PNOFYVFFKOKHEM-KGLIPLIRSA-N 2 0 267.417 1.032 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001482529613 906843608 /nfs/dbraw/zinc/84/36/08/906843608.db2.gz KIUUFISIBGGVFX-HOTGVXAUSA-N 2 0 293.455 1.613 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001482532479 906875093 /nfs/dbraw/zinc/87/50/93/906875093.db2.gz SELLCBDATKPDKW-KFWWJZLASA-N 2 0 279.428 1.080 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001482549630 907002976 /nfs/dbraw/zinc/00/29/76/907002976.db2.gz FNPBYTIXCJVPSE-SOUVJXGZSA-N 2 0 281.444 1.633 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001273000092 921393285 /nfs/dbraw/zinc/39/32/85/921393285.db2.gz VDPAJRQRJCGREJ-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001483061186 909206577 /nfs/dbraw/zinc/20/65/77/909206577.db2.gz SRRIVCYCJDSJCS-BQYQJAHWSA-N 2 0 267.417 1.412 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001483139637 909786598 /nfs/dbraw/zinc/78/65/98/909786598.db2.gz CNBMJKWHKLCOOF-CQSZACIVSA-N 2 0 297.443 1.015 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001483142847 909803851 /nfs/dbraw/zinc/80/38/51/909803851.db2.gz ACIRZHLWWWUPOG-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001409469159 910419826 /nfs/dbraw/zinc/41/98/26/910419826.db2.gz NXPOFUJUSBJYOP-NWDGAFQWSA-N 2 0 273.808 1.318 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCCC[NH+](C)C ZINC001483443233 911125059 /nfs/dbraw/zinc/12/50/59/911125059.db2.gz KDTQNYPXWWOXRY-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H](C)C1 ZINC001483914721 915188868 /nfs/dbraw/zinc/18/88/68/915188868.db2.gz ARODHTMVTKVPAQ-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484123159 915445514 /nfs/dbraw/zinc/44/55/14/915445514.db2.gz XLCZMWASFUKLCQ-RDJZCZTQSA-N 2 0 291.439 1.180 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001484142181 915462615 /nfs/dbraw/zinc/46/26/15/915462615.db2.gz NNHYWCAOLJWUGV-UHFFFAOYSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001484466233 915794588 /nfs/dbraw/zinc/79/45/88/915794588.db2.gz SKAUZLXGNKFJOV-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001485582837 917107422 /nfs/dbraw/zinc/10/74/22/917107422.db2.gz URPUWHAHJDBJKA-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C[NH+](C)C1(C)CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000715518581 919319985 /nfs/dbraw/zinc/31/99/85/919319985.db2.gz LCZQUUGTNSJSGP-JVWICGRDSA-N 2 0 280.416 1.387 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001276400425 936627184 /nfs/dbraw/zinc/62/71/84/936627184.db2.gz ZCEHXUWRENNGFW-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485913685 920571659 /nfs/dbraw/zinc/57/16/59/920571659.db2.gz QSBKYLKVRIASAT-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001486183743 920789601 /nfs/dbraw/zinc/78/96/01/920789601.db2.gz LNWZONPKQNMAPY-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001486183745 920790945 /nfs/dbraw/zinc/79/09/45/920790945.db2.gz LNWZONPKQNMAPY-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001486424393 920993497 /nfs/dbraw/zinc/99/34/97/920993497.db2.gz SKFKIIFGHINCBI-KBPBESRZSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)C[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001273560684 921014854 /nfs/dbraw/zinc/01/48/54/921014854.db2.gz PVOAMNNGDAAIOB-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001491210067 936876768 /nfs/dbraw/zinc/87/67/68/936876768.db2.gz MQQUSRRGUJFTOA-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001491220666 936878875 /nfs/dbraw/zinc/87/88/75/936878875.db2.gz HKJPQWBNNHXQMX-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001491504097 936926345 /nfs/dbraw/zinc/92/63/45/936926345.db2.gz ISAJUPQTJPMMFO-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[N@H+](C)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001490275055 927072253 /nfs/dbraw/zinc/07/22/53/927072253.db2.gz BPLXZBWJUOTKNU-INIZCTEOSA-N 2 0 279.428 1.487 10 30 CDEERP C=CCC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001490281787 927076894 /nfs/dbraw/zinc/07/68/94/927076894.db2.gz NDIFGVLQFIQMIQ-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001317635698 928241213 /nfs/dbraw/zinc/24/12/13/928241213.db2.gz FTHWBLMCKNBFFO-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001319821201 931488412 /nfs/dbraw/zinc/48/84/12/931488412.db2.gz ZTTDYGKDBLHVQV-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001274654884 931532604 /nfs/dbraw/zinc/53/26/04/931532604.db2.gz POOUWOSFZFTBKC-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001275009497 931632420 /nfs/dbraw/zinc/63/24/20/931632420.db2.gz IQYHATGDUFLQOP-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+](C)C ZINC001275071608 931651954 /nfs/dbraw/zinc/65/19/54/931651954.db2.gz FDVJKEFCTIGIJF-NVXWUHKLSA-N 2 0 287.407 1.496 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275538842 931863117 /nfs/dbraw/zinc/86/31/17/931863117.db2.gz IDBUBOVIHZTWDK-KGLIPLIRSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001144790372 932022156 /nfs/dbraw/zinc/02/21/56/932022156.db2.gz GHRNTLLKGDDKIZ-CQSZACIVSA-N 2 0 265.401 1.191 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001276226084 932662575 /nfs/dbraw/zinc/66/25/75/932662575.db2.gz AUOMADJQNNFQDG-UHFFFAOYSA-N 2 0 269.433 1.588 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001148223710 932671977 /nfs/dbraw/zinc/67/19/77/932671977.db2.gz HFWKNEFKZXUPEU-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001122202582 937912766 /nfs/dbraw/zinc/91/27/66/937912766.db2.gz NUIXMXOYWDFORU-KGLIPLIRSA-N 2 0 295.427 1.026 10 30 CDEERP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568709658 1169441172 /nfs/dbraw/zinc/44/11/72/1169441172.db2.gz CTJBMSSANGFMPR-ZIAGYGMSSA-N 2 0 267.417 1.389 10 30 CDEERP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277271824 942277111 /nfs/dbraw/zinc/27/71/11/942277111.db2.gz LARVENCDELMQBX-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001281499701 942585865 /nfs/dbraw/zinc/58/58/65/942585865.db2.gz DLOBGXQZNGKLAP-UHFFFAOYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001281663256 942605850 /nfs/dbraw/zinc/60/58/50/942605850.db2.gz BRMYCSIZJHKYMR-KBPBESRZSA-N 2 0 279.428 1.626 10 30 CDEERP CC#CC[NH2+]CC1CC(NC(=O)CCCC[NH+](C)C)C1 ZINC001282067239 942653981 /nfs/dbraw/zinc/65/39/81/942653981.db2.gz VHLMEQQWFSSJST-UHFFFAOYSA-N 2 0 279.428 1.226 10 30 CDEERP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001282270788 942685383 /nfs/dbraw/zinc/68/53/83/942685383.db2.gz BYSQWEBDRRMAHB-GPANFISMSA-N 2 0 293.455 1.709 10 30 CDEERP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001282884713 942765582 /nfs/dbraw/zinc/76/55/82/942765582.db2.gz GAPAKNVYADLVHB-PHZGNYQRSA-N 2 0 291.439 1.342 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001283441280 942899175 /nfs/dbraw/zinc/89/91/75/942899175.db2.gz CDZJNLUZBBJIMT-HZPDHXFCSA-N 2 0 293.455 1.613 10 30 CDEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001283556029 942932123 /nfs/dbraw/zinc/93/21/23/942932123.db2.gz YGSSLHCAZIRBLP-GDBMZVCRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001283939869 943032201 /nfs/dbraw/zinc/03/22/01/943032201.db2.gz NSIDSMSLUZXUMM-LSDHHAIUSA-N 2 0 297.443 1.108 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](CCC)CC1 ZINC001263096910 943743245 /nfs/dbraw/zinc/74/32/45/943743245.db2.gz GPVTYCFAGZDOHN-HNNXBMFYSA-N 2 0 281.444 1.908 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001277845895 943798323 /nfs/dbraw/zinc/79/83/23/943798323.db2.gz OMJVUVBYPGUZGN-GDBMZVCRSA-N 2 0 291.439 1.463 10 30 CDEERP C=CCC[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001265590559 944440905 /nfs/dbraw/zinc/44/09/05/944440905.db2.gz CHXOQZUBPGORDB-HZPDHXFCSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001265655951 944459001 /nfs/dbraw/zinc/45/90/01/944459001.db2.gz SNFHWSIJKUCKOS-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001265676272 944465937 /nfs/dbraw/zinc/46/59/37/944465937.db2.gz ZEMCMHBXVNGXQL-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001265688052 944470064 /nfs/dbraw/zinc/47/00/64/944470064.db2.gz LPEDNQLQTPQXBA-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001265711687 944478355 /nfs/dbraw/zinc/47/83/55/944478355.db2.gz NQBIDJNFUVWDEQ-ARKGTOAJSA-N 2 0 291.439 1.482 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001265743091 944486214 /nfs/dbraw/zinc/48/62/14/944486214.db2.gz BGWDCYWDEFGUOR-YMAMQOFZSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001266006033 944626501 /nfs/dbraw/zinc/62/65/01/944626501.db2.gz GZQWQXNOIUZXPB-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266102525 944684142 /nfs/dbraw/zinc/68/41/42/944684142.db2.gz BEVBAJVLAVPXBO-OAHLLOKOSA-N 2 0 281.444 1.424 10 30 CDEERP C#CCC[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266144443 944711247 /nfs/dbraw/zinc/71/12/47/944711247.db2.gz RNBGTBAIDYKCEP-OAHLLOKOSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001266184693 944741636 /nfs/dbraw/zinc/74/16/36/944741636.db2.gz OLANIJOQUOFKNF-HOCLYGCPSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001279396015 944798350 /nfs/dbraw/zinc/79/83/50/944798350.db2.gz QBQGCACYKGQAOP-OAGGEKHMSA-N 2 0 293.455 1.683 10 30 CDEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001479695600 971369913 /nfs/dbraw/zinc/36/99/13/971369913.db2.gz YKTOORLAEOFLDD-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001278450080 948199899 /nfs/dbraw/zinc/19/98/99/948199899.db2.gz BAFXJEYANWIIMD-FMKPAKJESA-N 2 0 277.412 1.073 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480209281 971628527 /nfs/dbraw/zinc/62/85/27/971628527.db2.gz PFRXZCJYIKBYLI-ZNMIVQPWSA-N 2 0 281.444 1.776 10 30 CDEERP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001278689598 951722966 /nfs/dbraw/zinc/72/29/66/951722966.db2.gz FIIMMISBSKETKK-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CCC=C)CC1 ZINC001324419733 953382580 /nfs/dbraw/zinc/38/25/80/953382580.db2.gz DPAGUIBGMTVNJT-UHFFFAOYSA-N 2 0 291.439 1.440 10 30 CDEERP C#CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001324648497 953496439 /nfs/dbraw/zinc/49/64/39/953496439.db2.gz URPYAVDKXSJPPR-MRXNPFEDSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001325469373 953915937 /nfs/dbraw/zinc/91/59/37/953915937.db2.gz XYLAEXFJHXLIDC-JSGCOSHPSA-N 2 0 290.411 1.663 10 30 CDEERP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001325920220 954142836 /nfs/dbraw/zinc/14/28/36/954142836.db2.gz XQCRTGYBUFVOEB-CVEARBPZSA-N 2 0 291.439 1.415 10 30 CDEERP CC#CC[N@H+](C)CCCN(C)C(=O)C[NH+](C)C(C)C ZINC001327290528 954815127 /nfs/dbraw/zinc/81/51/27/954815127.db2.gz FRCLAQMLMMCUKN-UHFFFAOYSA-N 2 0 267.417 1.130 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001491806020 955471377 /nfs/dbraw/zinc/47/13/77/955471377.db2.gz XAOXBYFJSNIQME-HOCLYGCPSA-N 2 0 291.439 1.342 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001329170581 955732919 /nfs/dbraw/zinc/73/29/19/955732919.db2.gz IOASSMHXFLKECD-STQMWFEESA-N 2 0 255.406 1.387 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001494021975 972163965 /nfs/dbraw/zinc/16/39/65/972163965.db2.gz QCHGMUNUGGPBHS-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317487334 956682575 /nfs/dbraw/zinc/68/25/75/956682575.db2.gz LAONMIWLLIHTKV-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001316798168 957018938 /nfs/dbraw/zinc/01/89/38/957018938.db2.gz XGOUUYBBYRHKGG-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001316893206 957104349 /nfs/dbraw/zinc/10/43/49/957104349.db2.gz NHINGSUCLYQIHR-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317155173 957309927 /nfs/dbraw/zinc/30/99/27/957309927.db2.gz RGPMGKFLGWXJBP-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317312728 957417160 /nfs/dbraw/zinc/41/71/60/957417160.db2.gz LBLUUCGUCBJGKZ-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001332099816 957432913 /nfs/dbraw/zinc/43/29/13/957432913.db2.gz LAGSETDOEXZDPW-NVXWUHKLSA-N 2 0 291.439 1.770 10 30 CDEERP C#CCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001332217116 957480747 /nfs/dbraw/zinc/48/07/47/957480747.db2.gz GJAZOSWHECSGHP-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C#CCC[N@H+](C)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001317452817 957486518 /nfs/dbraw/zinc/48/65/18/957486518.db2.gz IEOVVRMALJBRAN-UHFFFAOYSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317656170 957625007 /nfs/dbraw/zinc/62/50/07/957625007.db2.gz VSAADDJBZOBZPL-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317810839 957674566 /nfs/dbraw/zinc/67/45/66/957674566.db2.gz GHUWBFNTMNMTAJ-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001318446634 958108771 /nfs/dbraw/zinc/10/87/71/958108771.db2.gz WOSWMFLJWXRFNY-CVEARBPZSA-N 2 0 293.455 1.970 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001494987201 972363880 /nfs/dbraw/zinc/36/38/80/972363880.db2.gz HQKUKWCFLMJJSM-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001494985746 972365076 /nfs/dbraw/zinc/36/50/76/972365076.db2.gz BMNIUVMFVAVZBI-HUUCEWRRSA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001319968703 958822896 /nfs/dbraw/zinc/82/28/96/958822896.db2.gz PTARHKVZMDTBSD-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001319968601 958825384 /nfs/dbraw/zinc/82/53/84/958825384.db2.gz PTARHKVZMDTBSD-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320009415 958866456 /nfs/dbraw/zinc/86/64/56/958866456.db2.gz IZGJZPKRCKXVMX-AWEZNQCLSA-N 2 0 269.433 1.539 10 30 CDEERP C=CC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]21 ZINC001320113820 958946188 /nfs/dbraw/zinc/94/61/88/958946188.db2.gz ZXSZELGFRRCRIA-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001321057139 959563605 /nfs/dbraw/zinc/56/36/05/959563605.db2.gz NMGLFVWUSQRGMN-YVACAVLKSA-N 2 0 279.428 1.697 10 30 CDEERP CC#CC[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001321097536 959591818 /nfs/dbraw/zinc/59/18/18/959591818.db2.gz OZKGLXJPSMPZBU-LLYBFZRZSA-N 2 0 277.412 1.146 10 30 CDEERP C=CCC[NH2+]C[C@@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001495294386 972467907 /nfs/dbraw/zinc/46/79/07/972467907.db2.gz SHHZHRYXIRMXDN-MRXNPFEDSA-N 2 0 291.439 1.533 10 30 CDEERP C#CCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322218106 960138099 /nfs/dbraw/zinc/13/80/99/960138099.db2.gz KEAOVVDOJFERHZ-AWEZNQCLSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001322844204 960342737 /nfs/dbraw/zinc/34/27/37/960342737.db2.gz QKVLDYGBIRURCY-GASCZTMLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC001342297585 963702908 /nfs/dbraw/zinc/70/29/08/963702908.db2.gz AADGZEVLCZJKTF-GFCCVEGCSA-N 2 0 253.390 1.271 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CC23CCCC3)CC1 ZINC001343099012 963905276 /nfs/dbraw/zinc/90/52/76/963905276.db2.gz NPALCSTTYYPWTR-AWEZNQCLSA-N 2 0 277.412 1.285 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001440360332 963998648 /nfs/dbraw/zinc/99/86/48/963998648.db2.gz DIJKKJSPURQEMD-JOCQHMNTSA-N 2 0 287.835 1.564 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001545988646 966623603 /nfs/dbraw/zinc/62/36/03/966623603.db2.gz OWCLWMGEVDHJNI-OAHLLOKOSA-N 2 0 281.444 1.588 10 30 CDEERP C=CCCOCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001354233038 968557480 /nfs/dbraw/zinc/55/74/80/968557480.db2.gz CXIFZBCYVKRCKM-RDBSUJKOSA-N 2 0 252.402 1.945 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001523567952 970735460 /nfs/dbraw/zinc/73/54/60/970735460.db2.gz SJZVLWANEFLMNW-ZDUSSCGKSA-N 2 0 269.433 1.716 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCC1 ZINC001495957091 972718950 /nfs/dbraw/zinc/71/89/50/972718950.db2.gz AXNSFYZSIOHDDO-AWEZNQCLSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001497884748 973565038 /nfs/dbraw/zinc/56/50/38/973565038.db2.gz CZVORRTXPSGTHR-CABCVRRESA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001497993229 973603894 /nfs/dbraw/zinc/60/38/94/973603894.db2.gz NGFSCJCXNFGQTN-CYBMUJFWSA-N 2 0 255.406 1.387 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001498424302 973900937 /nfs/dbraw/zinc/90/09/37/973900937.db2.gz DRKBCZVPBGMFGI-CABCVRRESA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001569723464 1169975968 /nfs/dbraw/zinc/97/59/68/1169975968.db2.gz VQYMYGDSDTZLRJ-DOTOQJQBSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC)CC1 ZINC001500054752 974364185 /nfs/dbraw/zinc/36/41/85/974364185.db2.gz UBMROYBPPJVVDB-OAHLLOKOSA-N 2 0 291.439 1.274 10 30 CDEERP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001500271216 974413635 /nfs/dbraw/zinc/41/36/35/974413635.db2.gz CFPKDOSFYMEVLJ-KRWDZBQOSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@@H+](C)C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001506959215 975273108 /nfs/dbraw/zinc/27/31/08/975273108.db2.gz ZGVOZWQFNOBTPO-OAHLLOKOSA-N 2 0 297.418 1.222 10 30 CDEERP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001506986307 975285266 /nfs/dbraw/zinc/28/52/66/975285266.db2.gz JZOWUMNCDDLFTI-HZPDHXFCSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001398946100 976261738 /nfs/dbraw/zinc/26/17/38/976261738.db2.gz FOQYVZXKYDOSMR-CHWSQXEVSA-N 2 0 287.835 1.708 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001674457865 1173948548 /nfs/dbraw/zinc/94/85/48/1173948548.db2.gz OMSHFSVDMSYZJR-AWEZNQCLSA-N 2 0 279.428 1.580 10 30 CDEERP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001674907339 1174027580 /nfs/dbraw/zinc/02/75/80/1174027580.db2.gz HTTCYBWFJGSONL-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001675946964 1174168054 /nfs/dbraw/zinc/16/80/54/1174168054.db2.gz GAYNNKNWOAXSSX-HNNXBMFYSA-N 2 0 293.455 1.759 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001676756072 1174266415 /nfs/dbraw/zinc/26/64/15/1174266415.db2.gz PKVHETHWLLXRDT-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001570363724 1170143150 /nfs/dbraw/zinc/14/31/50/1170143150.db2.gz GVACNMJNXBVKIK-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001570905505 1170316077 /nfs/dbraw/zinc/31/60/77/1170316077.db2.gz UVQFYLWMDAMQIM-HUUCEWRRSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001571297296 1170360991 /nfs/dbraw/zinc/36/09/91/1170360991.db2.gz QVYGRCSHQIAVJG-QWHCGFSZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001656088071 1171763453 /nfs/dbraw/zinc/76/34/53/1171763453.db2.gz GDAVKQIBMQWYFJ-AWEZNQCLSA-N 2 0 279.428 1.437 10 30 CDEERP CC1CC[NH+](CCCNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594441768 342907716 /nfs/dbraw/zinc/90/77/16/342907716.db2.gz WPPIFOWGVBRYPM-OAHLLOKOSA-N 2 0 294.443 1.636 10 30 CDEERP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594448984 342909385 /nfs/dbraw/zinc/90/93/85/342909385.db2.gz AADCFKLJWHAFPS-AWEZNQCLSA-N 2 0 280.416 1.340 10 30 CDEERP Cn1ccnc1N1CCN(Cc2ccc(C#N)o2)CC1 ZINC000597250272 343498741 /nfs/dbraw/zinc/49/87/41/343498741.db2.gz UWSXLACYTPIDQR-UHFFFAOYSA-N 2 0 271.324 1.207 10 30 CDEERP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001661738564 1172437923 /nfs/dbraw/zinc/43/79/23/1172437923.db2.gz ILFAJBTUEYLHLR-KBPBESRZSA-N 2 0 267.417 1.341 10 30 CDEERP C[C@H]1COCC[C@H]1[NH2+]CC#CC[NH2+][C@H]1CCOC[C@H]1C ZINC000342139722 373993783 /nfs/dbraw/zinc/99/37/83/373993783.db2.gz XGNQRZTVELWNTR-SYMSYNOKSA-N 2 0 280.412 1.019 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001662350744 1172533671 /nfs/dbraw/zinc/53/36/71/1172533671.db2.gz NWHURDYKIOLRLV-ZDUSSCGKSA-N 2 0 267.417 1.389 10 30 CDEERP C=CC[C@]1(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000662423914 413001876 /nfs/dbraw/zinc/00/18/76/413001876.db2.gz PPRNVIRKWLBFBL-GZBFAFLISA-N 2 0 265.401 1.271 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001663537030 1172718999 /nfs/dbraw/zinc/71/89/99/1172718999.db2.gz JDKZOIXCLHGANG-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662694943 413328745 /nfs/dbraw/zinc/32/87/45/413328745.db2.gz FAOVEBTXLQPOPD-HLLBOEOZSA-N 2 0 293.455 1.921 10 30 CDEERP CC[NH+](CC)CCOc1ccc(F)cc1C#CC[NH3+] ZINC000037548068 173264869 /nfs/dbraw/zinc/26/48/69/173264869.db2.gz CWARUGZQKSCJJZ-UHFFFAOYSA-N 2 0 264.344 1.857 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001666808851 1173186445 /nfs/dbraw/zinc/18/64/45/1173186445.db2.gz QVEGLZNSRICYDR-UHFFFAOYSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCOc1ccccc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000414869881 263084781 /nfs/dbraw/zinc/08/47/81/263084781.db2.gz RUNFMWODDCBMQW-UHFFFAOYSA-N 2 0 275.396 1.246 10 30 CDEERP N#Cc1ccc(C2([NH2+]CCC[NH3+])CCOCC2)cc1 ZINC000530235077 268211591 /nfs/dbraw/zinc/21/15/91/268211591.db2.gz UVUYTRSZPGRBOH-UHFFFAOYSA-N 2 0 259.353 1.502 10 30 CDEERP C[NH+]=C(N[C@@H]1C[C@H]1C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262675075 330026172 /nfs/dbraw/zinc/02/61/72/330026172.db2.gz ABJOXOHPVRLFEG-YRGRVCCFSA-N 2 0 264.417 1.577 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CC12CCCC2 ZINC000263270284 330051350 /nfs/dbraw/zinc/05/13/50/330051350.db2.gz OYZOCQAENICIFY-OLZOCXBDSA-N 2 0 264.417 1.708 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424167554 330309861 /nfs/dbraw/zinc/30/98/61/330309861.db2.gz CRCFYHXPJPBSCO-XQLPTFJDSA-N 2 0 250.386 1.794 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496208825 1159408977 /nfs/dbraw/zinc/40/89/77/1159408977.db2.gz YWVWDBAUTZNLAJ-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267620218 1159545532 /nfs/dbraw/zinc/54/55/32/1159545532.db2.gz ZSNLPZZNJXUNCH-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001677603119 1174376057 /nfs/dbraw/zinc/37/60/57/1174376057.db2.gz HQQHPXBOMLQLKR-OAHLLOKOSA-N 2 0 289.423 1.100 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001482115698 1159983552 /nfs/dbraw/zinc/98/35/52/1159983552.db2.gz OVBAJRXPASACIN-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[C@@]1(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)CCC[NH2+]1 ZINC000662672502 482418467 /nfs/dbraw/zinc/41/84/67/482418467.db2.gz BXDJLHAWWBQAGD-ZBFHGGJFSA-N 2 0 279.428 1.627 10 30 CDEERP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001731538560 1182441186 /nfs/dbraw/zinc/44/11/86/1182441186.db2.gz LXBSWPZKPYCVMC-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C[C@H](CC[NH+](C)C)NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000049561926 524161594 /nfs/dbraw/zinc/16/15/94/524161594.db2.gz OXBMFLVSDJDEDL-GFCCVEGCSA-N 2 0 291.370 1.206 10 30 CDEERP C[C@H](C[NH+]1CCCC1)NC(=O)c1ccccc1C#CC[NH3+] ZINC000049189219 524316605 /nfs/dbraw/zinc/31/66/05/524316605.db2.gz AMWIINPGZZEJKP-CQSZACIVSA-N 2 0 285.391 1.211 10 30 CDEERP [NH3+]CC#Cc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)s1 ZINC000062967860 527148462 /nfs/dbraw/zinc/14/84/62/527148462.db2.gz KYUZGDCYBPQHLK-AWEZNQCLSA-N 2 0 289.448 1.728 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001690049437 1175357311 /nfs/dbraw/zinc/35/73/11/1175357311.db2.gz SCPBJJQUJXAPDL-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NCCC[NH+](CC)CC ZINC000899932345 622549231 /nfs/dbraw/zinc/54/92/31/622549231.db2.gz MLBILGVCUAAGQF-UHFFFAOYSA-N 2 0 255.406 1.342 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000900575442 623250524 /nfs/dbraw/zinc/25/05/24/623250524.db2.gz XKNKRQIOFYGNSZ-UHFFFAOYSA-N 2 0 267.417 1.295 10 30 CDEERP Cc1cc(C#N)cc(C)c1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000903453034 626001048 /nfs/dbraw/zinc/00/10/48/626001048.db2.gz XGDCAKKWQPJQOA-KRWDZBQOSA-N 2 0 298.434 1.655 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912870480 630256294 /nfs/dbraw/zinc/25/62/94/630256294.db2.gz BIWBSYJWTYSTMU-UHFFFAOYSA-N 2 0 265.401 1.191 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001670469710 1158612902 /nfs/dbraw/zinc/61/29/02/1158612902.db2.gz KVWIMVHESIQFPV-GJZGRUSLSA-N 2 0 279.428 1.530 10 30 CDEERP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]21 ZINC001699021131 1159206398 /nfs/dbraw/zinc/20/63/98/1159206398.db2.gz RASBNIJXZNEJSP-HUUCEWRRSA-N 2 0 279.428 1.435 10 30 CDEERP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001725584018 1159256280 /nfs/dbraw/zinc/25/62/80/1159256280.db2.gz FKNKKWFSOYJSFP-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001481196569 1159552497 /nfs/dbraw/zinc/55/24/97/1159552497.db2.gz KPWADOLFUQFFLS-ZDUSSCGKSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001670792815 1159819343 /nfs/dbraw/zinc/81/93/43/1159819343.db2.gz AHWSUHGFFLYWKZ-OAHLLOKOSA-N 2 0 291.439 1.818 10 30 CDEERP C=CCC[NH2+]CCN(CC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268459139 1159947020 /nfs/dbraw/zinc/94/70/20/1159947020.db2.gz ZALXXMMTCCMMFY-UHFFFAOYSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001633647159 1166441178 /nfs/dbraw/zinc/44/11/78/1166441178.db2.gz AFAZLVBGNLRSLZ-HNNXBMFYSA-N 2 0 289.423 1.741 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001275732936 1166703428 /nfs/dbraw/zinc/70/34/28/1166703428.db2.gz MLALWTQSEIFTHN-HNNXBMFYSA-N 2 0 295.471 1.670 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568311987 1169240117 /nfs/dbraw/zinc/24/01/17/1169240117.db2.gz FOAGUIGCIUFCCV-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001570015714 1170059598 /nfs/dbraw/zinc/05/95/98/1170059598.db2.gz OLUNHYBKMHOZBX-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001570958239 1170322320 /nfs/dbraw/zinc/32/23/20/1170322320.db2.gz MJSVJRMVLOLHHT-XQLPTFJDSA-N 2 0 279.428 1.053 10 30 CDEERP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001571129445 1170339047 /nfs/dbraw/zinc/33/90/47/1170339047.db2.gz HVSHMLZHSNJNDV-YHUYYLMFSA-N 2 0 289.423 1.121 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCC)CC1 ZINC001571419555 1170420068 /nfs/dbraw/zinc/42/00/68/1170420068.db2.gz UCVWJYNVANAGKU-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(C)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001656469033 1171828508 /nfs/dbraw/zinc/82/85/08/1171828508.db2.gz CBWMLIYMKAYOAN-UHFFFAOYSA-N 2 0 252.402 1.875 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001664836208 1172918111 /nfs/dbraw/zinc/91/81/11/1172918111.db2.gz QPWMHBHLAPUUST-HOTGVXAUSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001668117129 1173370830 /nfs/dbraw/zinc/37/08/30/1173370830.db2.gz DCMWALWCKGJQBL-HUUCEWRRSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC)C1 ZINC001672810285 1173801646 /nfs/dbraw/zinc/80/16/46/1173801646.db2.gz MUIWRSSNCHMWAH-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001673238047 1173837311 /nfs/dbraw/zinc/83/73/11/1173837311.db2.gz KPIWIWWIJNPWFG-UHFFFAOYSA-N 2 0 265.401 1.287 10 30 CDEERP C=CCCC[NH2+]CC1CC(NC(=O)Cn2ccnc2C)C1 ZINC001674609045 1173966899 /nfs/dbraw/zinc/96/68/99/1173966899.db2.gz XZMRYVSDQAELCF-UHFFFAOYSA-N 2 0 290.411 1.642 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001690757443 1175565001 /nfs/dbraw/zinc/56/50/01/1175565001.db2.gz JAGIVCRJKHBJHW-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001690861214 1175593446 /nfs/dbraw/zinc/59/34/46/1175593446.db2.gz VSPXKIVQLHFWCZ-CHWSQXEVSA-N 2 0 255.406 1.243 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001692368102 1175753755 /nfs/dbraw/zinc/75/37/55/1175753755.db2.gz HUKDGFVWFZSTHA-OAGGEKHMSA-N 2 0 291.439 1.463 10 30 CDEERP C=C(C)C[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001698635058 1175881443 /nfs/dbraw/zinc/88/14/43/1175881443.db2.gz WFWFHQGNTWEDNE-OAHLLOKOSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001698759926 1175921794 /nfs/dbraw/zinc/92/17/94/1175921794.db2.gz IOUURBQIXGCLCQ-KKUMJFAQSA-N 2 0 279.428 1.082 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCC=C)CC1 ZINC001698860510 1175967684 /nfs/dbraw/zinc/96/76/84/1175967684.db2.gz JURUPLDERGUAMV-HNNXBMFYSA-N 2 0 291.439 1.344 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699460902 1176424879 /nfs/dbraw/zinc/42/48/79/1176424879.db2.gz UVUALDXSHVNBAT-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001699758364 1176610679 /nfs/dbraw/zinc/61/06/79/1176610679.db2.gz JHEUXLFJYOXMBT-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001700143209 1176767982 /nfs/dbraw/zinc/76/79/82/1176767982.db2.gz OYBUAXDOHWFOJY-UHFFFAOYSA-N 2 0 279.428 1.677 10 30 CDEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001700203922 1176797798 /nfs/dbraw/zinc/79/77/98/1176797798.db2.gz WCGAYDGIMRFNRU-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001700531287 1176999596 /nfs/dbraw/zinc/99/95/96/1176999596.db2.gz LKDNEJVUWYRYRA-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001700780037 1177125957 /nfs/dbraw/zinc/12/59/57/1177125957.db2.gz ICBQGOSGORXEIG-ZDUSSCGKSA-N 2 0 255.406 1.339 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001700851195 1177164925 /nfs/dbraw/zinc/16/49/25/1177164925.db2.gz WLLOQECBDFDEKL-UONOGXRCSA-N 2 0 277.412 1.237 10 30 CDEERP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001707137973 1177957543 /nfs/dbraw/zinc/95/75/43/1177957543.db2.gz GDRBPMDHGPBKJP-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001713084053 1178355209 /nfs/dbraw/zinc/35/52/09/1178355209.db2.gz ITUBOKWVMILMBO-UONOGXRCSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001713408300 1178542737 /nfs/dbraw/zinc/54/27/37/1178542737.db2.gz KXELHPRMGJDVHP-QLFBSQMISA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001714004857 1178923528 /nfs/dbraw/zinc/92/35/28/1178923528.db2.gz XGLABXCGLQNAEO-KGLIPLIRSA-N 2 0 285.407 1.385 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001714373881 1179110551 /nfs/dbraw/zinc/11/05/51/1179110551.db2.gz CTOLKQXWXKVSSM-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714469679 1179157122 /nfs/dbraw/zinc/15/71/22/1179157122.db2.gz QBWZUJWMYJFBAS-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C#CC[N@@H+](C)CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001714560619 1179216775 /nfs/dbraw/zinc/21/67/75/1179216775.db2.gz RSAHSURCKSGVOG-UHFFFAOYSA-N 2 0 287.407 1.086 10 30 CDEERP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001714569662 1179226693 /nfs/dbraw/zinc/22/66/93/1179226693.db2.gz ANDSLDPCNKDTDW-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001714656354 1179303225 /nfs/dbraw/zinc/30/32/25/1179303225.db2.gz JXJDIJNETADIKC-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)C[NH+](CCNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001714676444 1179316667 /nfs/dbraw/zinc/31/66/67/1179316667.db2.gz RIAYLVRFRHKHDQ-UHFFFAOYSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001715441616 1179668175 /nfs/dbraw/zinc/66/81/75/1179668175.db2.gz ZOULQXXIJCXPBF-HUUCEWRRSA-N 2 0 279.428 1.177 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)CC[NH+]1CCCCC1 ZINC001716255750 1180121851 /nfs/dbraw/zinc/12/18/51/1180121851.db2.gz CFDHKSRXYJPIDU-UHFFFAOYSA-N 2 0 279.428 1.324 10 30 CDEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001716479120 1180243067 /nfs/dbraw/zinc/24/30/67/1180243067.db2.gz ZCUBTXXURPNHAH-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001716628084 1180314624 /nfs/dbraw/zinc/31/46/24/1180314624.db2.gz XUHAGIYPRMWYIB-KGLIPLIRSA-N 2 0 267.417 1.387 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001716661674 1180345001 /nfs/dbraw/zinc/34/50/01/1180345001.db2.gz RICPOSRWCIVCME-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001716969352 1180485156 /nfs/dbraw/zinc/48/51/56/1180485156.db2.gz MTVORGOUBNBEIB-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001717472731 1180692655 /nfs/dbraw/zinc/69/26/55/1180692655.db2.gz QNHLLPMUQLAWJK-UONOGXRCSA-N 2 0 267.417 1.482 10 30 CDEERP C=CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001717899552 1180919169 /nfs/dbraw/zinc/91/91/69/1180919169.db2.gz QMBCHVSVOGGBHA-CYBMUJFWSA-N 2 0 279.428 1.341 10 30 CDEERP C#CC[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001717948637 1180940386 /nfs/dbraw/zinc/94/03/86/1180940386.db2.gz UOWXMGGDFZVRFH-JKSUJKDBSA-N 2 0 293.455 1.519 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001717972241 1180952348 /nfs/dbraw/zinc/95/23/48/1180952348.db2.gz CHEIXXUKSZCMAV-ZIAGYGMSSA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001724588535 1181699709 /nfs/dbraw/zinc/69/97/09/1181699709.db2.gz VAEAZZKHNCSNMI-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)C(C)C)CC1 ZINC001724859259 1181780560 /nfs/dbraw/zinc/78/05/60/1181780560.db2.gz BFXBEEPJQMUIQU-UHFFFAOYSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001724859191 1181780963 /nfs/dbraw/zinc/78/09/63/1181780963.db2.gz ZHLLHZYKXXRQGN-INIZCTEOSA-N 2 0 279.428 1.439 10 30 CDEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725390839 1181985358 /nfs/dbraw/zinc/98/53/58/1181985358.db2.gz XMQGHOTZAXUQPC-GDBMZVCRSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725475921 1182014081 /nfs/dbraw/zinc/01/40/81/1182014081.db2.gz PDRXBFDWCARBPW-HZPDHXFCSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001725658370 1182089974 /nfs/dbraw/zinc/08/99/74/1182089974.db2.gz MCORINNHUBIZBC-LSDHHAIUSA-N 2 0 291.439 1.533 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC1(C)C ZINC001725677189 1182094338 /nfs/dbraw/zinc/09/43/38/1182094338.db2.gz NGMGHWIUFJSDSE-HNNXBMFYSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001725778006 1182129367 /nfs/dbraw/zinc/12/93/67/1182129367.db2.gz JKIVZDXFOGVXLY-NRXISQOPSA-N 2 0 297.418 1.269 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001731515681 1182431882 /nfs/dbraw/zinc/43/18/82/1182431882.db2.gz GQDONOOJGMIXNV-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001731530724 1182437705 /nfs/dbraw/zinc/43/77/05/1182437705.db2.gz LNKPASNHBJYTIJ-HNNXBMFYSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001731535493 1182438453 /nfs/dbraw/zinc/43/84/53/1182438453.db2.gz GHJAVZFCPHOQHR-OAHLLOKOSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001731626534 1182487300 /nfs/dbraw/zinc/48/73/00/1182487300.db2.gz KDBOPSLWAUPHJS-AWEZNQCLSA-N 2 0 297.443 1.158 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001731664036 1182509037 /nfs/dbraw/zinc/50/90/37/1182509037.db2.gz TUCDMOFLACAXTP-HNNXBMFYSA-N 2 0 291.439 1.629 10 30 CDEERP C=C(C)CC[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001731791407 1182583067 /nfs/dbraw/zinc/58/30/67/1182583067.db2.gz BOSPFPCHJKGGFT-UHFFFAOYSA-N 2 0 265.401 1.096 10 30 CDEERP C=C(C)C[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001731809138 1182597240 /nfs/dbraw/zinc/59/72/40/1182597240.db2.gz DWQNUHPIWSDUDU-UHFFFAOYSA-N 2 0 267.417 1.342 10 30 CDEERP CC#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001732490324 1182988538 /nfs/dbraw/zinc/98/85/38/1182988538.db2.gz WOFJDUJTSWPODM-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCCC[NH+](C)C ZINC001732549505 1183004088 /nfs/dbraw/zinc/00/40/88/1183004088.db2.gz XCZALMUXQXPDLQ-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001732600277 1183042458 /nfs/dbraw/zinc/04/24/58/1183042458.db2.gz MXSLGETWPVCDAH-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001733024070 1183242413 /nfs/dbraw/zinc/24/24/13/1183242413.db2.gz ITYBKHGFPHJDJU-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001733106310 1183292624 /nfs/dbraw/zinc/29/26/24/1183292624.db2.gz DNLFJYKPWRYELU-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001733180977 1183319657 /nfs/dbraw/zinc/31/96/57/1183319657.db2.gz MSDSPZQGYIXLGE-CWRNSKLLSA-N 2 0 293.455 1.777 10 30 CDEERP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001733413418 1183425786 /nfs/dbraw/zinc/42/57/86/1183425786.db2.gz RNYSXBCPGDDQNN-RDJZCZTQSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001733414253 1183425858 /nfs/dbraw/zinc/42/58/58/1183425858.db2.gz VWVRLLXGEAPNGL-DOTOQJQBSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001733557782 1183465680 /nfs/dbraw/zinc/46/56/80/1183465680.db2.gz DLJXLOIDQALNAM-JKSUJKDBSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001734122598 1183666804 /nfs/dbraw/zinc/66/68/04/1183666804.db2.gz QIYHFDNGLSUSKR-AWEZNQCLSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCCC)CC1 ZINC001734355881 1183745171 /nfs/dbraw/zinc/74/51/71/1183745171.db2.gz IECCXXLDXJDYBJ-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001734404592 1183764410 /nfs/dbraw/zinc/76/44/10/1183764410.db2.gz BCFUFBVAUSIPEI-HUUCEWRRSA-N 2 0 281.444 1.872 10 30 CDEERP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001734432248 1183777265 /nfs/dbraw/zinc/77/72/65/1183777265.db2.gz LRIRJAJOBZFULO-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878914384 697933366 /nfs/dbraw/zinc/93/33/66/697933366.db2.gz CAYRERBFNYXOLV-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C[NH+](C)C[C@@H]1CN(c2ccnc(C#N)c2)C[C@H]1C[NH+](C)C ZINC000866012108 698166647 /nfs/dbraw/zinc/16/66/47/698166647.db2.gz QMEWBKWPJDHYGQ-ZIAGYGMSSA-N 2 0 287.411 1.129 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000876793335 698918865 /nfs/dbraw/zinc/91/88/65/698918865.db2.gz CAZBJARLRYEYJW-NSHDSACASA-N 2 0 280.759 1.136 10 30 CDEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+]1CCCC[C@H]1C ZINC000303906745 705080533 /nfs/dbraw/zinc/08/05/33/705080533.db2.gz WGJOIKZXPXMBCN-HUUCEWRRSA-N 3 0 295.475 1.249 10 30 CDEERP C=CCC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001691706864 1164427286 /nfs/dbraw/zinc/42/72/86/1164427286.db2.gz BUSAFSFODXKWCQ-HNNXBMFYSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000876712167 849522204 /nfs/dbraw/zinc/52/22/04/849522204.db2.gz MYFIWTOFKDPBDG-LLVKDONJSA-N 2 0 259.781 1.058 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001570642022 1167580220 /nfs/dbraw/zinc/58/02/20/1167580220.db2.gz QRTZBIVHQIOANC-UONOGXRCSA-N 2 0 267.417 1.387 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793079 848237571 /nfs/dbraw/zinc/23/75/71/848237571.db2.gz GJCSMYQDTDHMGV-LLVKDONJSA-N 2 0 271.792 1.058 10 30 CDEERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C#CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000852869943 848337565 /nfs/dbraw/zinc/33/75/65/848337565.db2.gz HWNNHFIZTMIUDO-GOEBONIOSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCOCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703217 848644177 /nfs/dbraw/zinc/64/41/77/848644177.db2.gz GBRPUXVYJMHDMG-UHFFFAOYSA-N 2 0 266.429 1.936 10 30 CDEERP N#C[C@H]1CCC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925811581 849361228 /nfs/dbraw/zinc/36/12/28/849361228.db2.gz JEOYKBMIEWGLNG-GXTWGEPZSA-N 2 0 250.390 1.081 10 30 CDEERP C[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000262004625 850360732 /nfs/dbraw/zinc/36/07/32/850360732.db2.gz VIAPSDYRXJXXOX-SOUVJXGZSA-N 2 0 296.459 1.449 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001565977925 1168206876 /nfs/dbraw/zinc/20/68/76/1168206876.db2.gz PATSRFWJXAJPMN-PMPSAXMXSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001566928817 1168471329 /nfs/dbraw/zinc/47/13/29/1168471329.db2.gz NGJAAYWTQYGBBA-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001567177225 1168606684 /nfs/dbraw/zinc/60/66/84/1168606684.db2.gz SRMWSQNUKKHYDV-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001567324505 1168680303 /nfs/dbraw/zinc/68/03/03/1168680303.db2.gz QPGGJIMJOQAXHC-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001567383548 1168723492 /nfs/dbraw/zinc/72/34/92/1168723492.db2.gz UNAJRSZNGVZQEA-HNNXBMFYSA-N 2 0 291.439 1.629 10 30 CDEERP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001266495571 895057640 /nfs/dbraw/zinc/05/76/40/895057640.db2.gz PDVAZUIMSOPRKR-MRXNPFEDSA-N 2 0 291.439 1.466 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001266604038 895516235 /nfs/dbraw/zinc/51/62/35/895516235.db2.gz NROXNKUCWMSCQW-JYJNAYRXSA-N 2 0 291.439 1.367 10 30 CDEERP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001266853297 896194901 /nfs/dbraw/zinc/19/49/01/896194901.db2.gz JOOIJNVHJSLHSX-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001266876682 896265433 /nfs/dbraw/zinc/26/54/33/896265433.db2.gz NQCOVNMFZSYGNQ-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001267456120 897931715 /nfs/dbraw/zinc/93/17/15/897931715.db2.gz LZXHBETXVJYUBR-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001267493222 898149157 /nfs/dbraw/zinc/14/91/57/898149157.db2.gz DPBZNHIPRBYRIW-GOEBONIOSA-N 2 0 293.455 1.423 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267594247 898638143 /nfs/dbraw/zinc/63/81/43/898638143.db2.gz BSAYPXGPGRNGRS-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C#CCC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001267604318 898793857 /nfs/dbraw/zinc/79/38/57/898793857.db2.gz XNLFUILNSKFYPT-UHFFFAOYSA-N 2 0 293.455 1.520 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001567630325 1168896692 /nfs/dbraw/zinc/89/66/92/1168896692.db2.gz OVHQZDLQZJHISV-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267653785 899175919 /nfs/dbraw/zinc/17/59/19/899175919.db2.gz YSPRPOBKVLUHCP-LSDHHAIUSA-N 2 0 297.418 1.080 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267702339 899324538 /nfs/dbraw/zinc/32/45/38/899324538.db2.gz FWPCSSJSGVYCAF-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268080572 901127853 /nfs/dbraw/zinc/12/78/53/901127853.db2.gz ITZHBAARXHAQRS-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001269691101 904041098 /nfs/dbraw/zinc/04/10/98/904041098.db2.gz AZFQEBHNWILYTA-KRWDZBQOSA-N 2 0 293.455 1.829 10 30 CDEERP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001270443568 904639681 /nfs/dbraw/zinc/63/96/81/904639681.db2.gz IOPWDAKVVVPIDS-CABCVRRESA-N 2 0 279.428 1.082 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001271701594 906600307 /nfs/dbraw/zinc/60/03/07/906600307.db2.gz YRWOFEXIKSAMQM-HOTGVXAUSA-N 2 0 293.455 1.426 10 30 CDEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001482587056 907436251 /nfs/dbraw/zinc/43/62/51/907436251.db2.gz XBTJJCYICJMZLU-ZDUSSCGKSA-N 2 0 253.390 1.047 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001482698018 908292221 /nfs/dbraw/zinc/29/22/21/908292221.db2.gz IPHYZDOJESYUOF-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C=CC[NH2+]C/C=C\CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483060737 909201178 /nfs/dbraw/zinc/20/11/78/909201178.db2.gz OYLRBRBCZJFPCA-WLMCBFPDSA-N 2 0 297.418 1.647 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083484 909300254 /nfs/dbraw/zinc/30/02/54/909300254.db2.gz KMTOHAWTXGDKPY-NSCUHMNNSA-N 2 0 283.803 1.097 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001483279312 910780773 /nfs/dbraw/zinc/78/07/73/910780773.db2.gz MMZVSRRHMVYXNR-AWEZNQCLSA-N 2 0 281.444 1.777 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001483472146 911159525 /nfs/dbraw/zinc/15/95/25/911159525.db2.gz PQEQFRLQQVAYPE-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001483502080 911202436 /nfs/dbraw/zinc/20/24/36/911202436.db2.gz AZNIAVPZGBKPHA-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001484385310 915701238 /nfs/dbraw/zinc/70/12/38/915701238.db2.gz XWZSPUSONDPXSJ-HOTGVXAUSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001484380775 915704341 /nfs/dbraw/zinc/70/43/41/915704341.db2.gz LEAPAAMRHIJUMQ-CABCVRRESA-N 2 0 281.444 1.588 10 30 CDEERP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001485096328 916509201 /nfs/dbraw/zinc/50/92/01/916509201.db2.gz XIBDHTRTEGQXKN-UYSNPLJNSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001485110345 916536321 /nfs/dbraw/zinc/53/63/21/916536321.db2.gz FPLANOYDIWRTJG-UYSNPLJNSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485164188 916620065 /nfs/dbraw/zinc/62/00/65/916620065.db2.gz ROKKACIVFKQLQP-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)C(C)C)CC1 ZINC001485389361 916940725 /nfs/dbraw/zinc/94/07/25/916940725.db2.gz SVRXHWHAPUUDFX-AWEZNQCLSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001485577862 917105505 /nfs/dbraw/zinc/10/55/05/917105505.db2.gz RMKNDVJEWLZVMK-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001485960706 920627792 /nfs/dbraw/zinc/62/77/92/920627792.db2.gz KNLKFGSROQSQPQ-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001486159127 920761209 /nfs/dbraw/zinc/76/12/09/920761209.db2.gz CMPVHHZEARSUGL-NVXWUHKLSA-N 2 0 291.439 1.465 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001490945902 936834147 /nfs/dbraw/zinc/83/41/47/936834147.db2.gz LGKMFFNGGCASSB-YHUYYLMFSA-N 2 0 293.455 1.920 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001491244518 936882337 /nfs/dbraw/zinc/88/23/37/936882337.db2.gz NENNWBYECZEQGI-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001491472348 936921608 /nfs/dbraw/zinc/92/16/08/936921608.db2.gz BRJQUINTLOCDCK-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001568398210 1169271044 /nfs/dbraw/zinc/27/10/44/1169271044.db2.gz QNQUJCIZXWMFBY-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]2C1 ZINC001489206014 926825973 /nfs/dbraw/zinc/82/59/73/926825973.db2.gz JFWVPMDZHXHFRH-CVEARBPZSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001489333852 926873455 /nfs/dbraw/zinc/87/34/55/926873455.db2.gz XHCPWKLSOBGETR-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[N@H+](C)CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001490224463 927039280 /nfs/dbraw/zinc/03/92/80/927039280.db2.gz GRNYOVKRWTWCGD-UHFFFAOYSA-N 2 0 299.378 1.505 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001490570254 927234877 /nfs/dbraw/zinc/23/48/77/927234877.db2.gz VWGLLCJKSOGBPH-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001490608910 927257378 /nfs/dbraw/zinc/25/73/78/927257378.db2.gz HOZKTKRKGTZIIC-OAHLLOKOSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001490668428 927277069 /nfs/dbraw/zinc/27/70/69/927277069.db2.gz ORFVQZHYPKUNQM-CQSZACIVSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319281967 931168339 /nfs/dbraw/zinc/16/83/39/931168339.db2.gz MCOUOKUMBBAGGB-ZIAGYGMSSA-N 2 0 267.417 1.246 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001319912708 931490919 /nfs/dbraw/zinc/49/09/19/931490919.db2.gz YDFCHVAHHPUOFK-HUUCEWRRSA-N 2 0 281.444 1.776 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001275114314 931668687 /nfs/dbraw/zinc/66/86/87/931668687.db2.gz IBBMAAMOPYRPAJ-OAHLLOKOSA-N 2 0 279.428 1.580 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001275114257 931668829 /nfs/dbraw/zinc/66/88/29/931668829.db2.gz HTGXWACLABEOAH-GJZGRUSLSA-N 2 0 297.418 1.222 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001493214939 935881633 /nfs/dbraw/zinc/88/16/33/935881633.db2.gz QUBMESNZJACMQX-CABCVRRESA-N 2 0 279.428 1.034 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001276602917 940409913 /nfs/dbraw/zinc/40/99/13/940409913.db2.gz IETALXFKLFKCOM-HOTGVXAUSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001281963901 942639258 /nfs/dbraw/zinc/63/92/58/942639258.db2.gz ABUGNMDQWOCUJK-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001282425921 942711517 /nfs/dbraw/zinc/71/15/17/942711517.db2.gz SHHKXCQBLHOFLM-JKSUJKDBSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001283668310 942963528 /nfs/dbraw/zinc/96/35/28/942963528.db2.gz ZUCGCHYFOFSVTE-ILXRZTDVSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001284001537 943044828 /nfs/dbraw/zinc/04/48/28/943044828.db2.gz BPLAGCZNEMNDQZ-HUUCEWRRSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001277756607 943480932 /nfs/dbraw/zinc/48/09/32/943480932.db2.gz PQIUCWFWIPBZMV-KGLIPLIRSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001332299310 943722025 /nfs/dbraw/zinc/72/20/25/943722025.db2.gz AAAUQXARSNNUJG-CABCVRRESA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001264411393 944129367 /nfs/dbraw/zinc/12/93/67/944129367.db2.gz HWOYZWRMXYGFJJ-IYBDPMFKSA-N 2 0 293.455 1.923 10 30 CDEERP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265655992 944458327 /nfs/dbraw/zinc/45/83/27/944458327.db2.gz UDKJUMMIKFIKTQ-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001265682561 944468329 /nfs/dbraw/zinc/46/83/29/944468329.db2.gz UGGKESDTECADHH-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001265687513 944469537 /nfs/dbraw/zinc/46/95/37/944469537.db2.gz BDFZESCPMAKAMV-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001265794566 944511196 /nfs/dbraw/zinc/51/11/96/944511196.db2.gz QXYLFZJGDIGVHS-KGLIPLIRSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001266053991 944656568 /nfs/dbraw/zinc/65/65/68/944656568.db2.gz DSJXMYBZYIWNRJ-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001266117470 944693366 /nfs/dbraw/zinc/69/33/66/944693366.db2.gz UEYNKKMWFFLNHM-HNNXBMFYSA-N 2 0 279.428 1.274 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266170180 944730686 /nfs/dbraw/zinc/73/06/86/944730686.db2.gz OFFUKIODBOCEER-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CC)CC1 ZINC001278177301 945028738 /nfs/dbraw/zinc/02/87/38/945028738.db2.gz NMQBRVPRAXJKBP-INIZCTEOSA-N 2 0 291.439 1.417 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001479386547 971315766 /nfs/dbraw/zinc/31/57/66/971315766.db2.gz UTYBZVGRUYEZSM-SHTZXODSSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001569009969 1169592308 /nfs/dbraw/zinc/59/23/08/1169592308.db2.gz VAICMEDFNKFCGM-CQSZACIVSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001279016939 948606098 /nfs/dbraw/zinc/60/60/98/948606098.db2.gz FTLLPHOFGYAYRJ-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001480260658 971651388 /nfs/dbraw/zinc/65/13/88/971651388.db2.gz BEUYAWZMLGIYML-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480646599 971825073 /nfs/dbraw/zinc/82/50/73/971825073.db2.gz SIJRNPLNTMQASK-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCC1 ZINC001324497826 953417646 /nfs/dbraw/zinc/41/76/46/953417646.db2.gz OEORFWSAZJRCJC-HOCLYGCPSA-N 2 0 291.439 1.226 10 30 CDEERP C#CCC[N@H+](CC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001493035148 971930383 /nfs/dbraw/zinc/93/03/83/971930383.db2.gz QLKOKXIEVJZULW-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001569151896 1169694101 /nfs/dbraw/zinc/69/41/01/1169694101.db2.gz QHFPEECETRJLQB-KGLIPLIRSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001324886407 953623124 /nfs/dbraw/zinc/62/31/24/953623124.db2.gz JRIWOXXNBJPXQT-OAHLLOKOSA-N 2 0 295.471 1.977 10 30 CDEERP C#CC[NH+]1CCC[C@@](C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001324971801 953661689 /nfs/dbraw/zinc/66/16/89/953661689.db2.gz LDJLYAIGPPWYEA-RDJZCZTQSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001325525327 953945886 /nfs/dbraw/zinc/94/58/86/953945886.db2.gz IKTJZPLQKNZQRE-GJZGRUSLSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001325581657 953971253 /nfs/dbraw/zinc/97/12/53/953971253.db2.gz NGRHTRAFHDVRNP-CABCVRRESA-N 2 0 281.444 1.588 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001326928975 954622071 /nfs/dbraw/zinc/62/20/71/954622071.db2.gz TYPHDAMXRGPGBN-UHFFFAOYSA-N 2 0 253.390 1.141 10 30 CDEERP C=CCCC[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001491675103 955383861 /nfs/dbraw/zinc/38/38/61/955383861.db2.gz ROWQTGOZWACWRQ-CYBMUJFWSA-N 2 0 253.390 1.143 10 30 CDEERP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)CC[NH+](C)C ZINC001493682276 972098799 /nfs/dbraw/zinc/09/87/99/972098799.db2.gz VWTXVCGGGGQBEF-UHFFFAOYSA-N 2 0 288.395 1.058 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001329147962 955716275 /nfs/dbraw/zinc/71/62/75/955716275.db2.gz PCMJWDFAQSKTQY-KBPBESRZSA-N 2 0 287.407 1.478 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001317191327 955728784 /nfs/dbraw/zinc/72/87/84/955728784.db2.gz DCEHFRBNRPCTEP-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001422489890 956079112 /nfs/dbraw/zinc/07/91/12/956079112.db2.gz KWHADUIVBZJGDY-CHWSQXEVSA-N 2 0 287.835 1.708 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001340165501 956701483 /nfs/dbraw/zinc/70/14/83/956701483.db2.gz VJGXNXJNWUIZKY-UKRRQHHQSA-N 2 0 265.401 1.272 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CCC=C)CC1 ZINC001316869162 956841153 /nfs/dbraw/zinc/84/11/53/956841153.db2.gz DQGZLYDGWDHSNE-UHFFFAOYSA-N 2 0 291.439 1.346 10 30 CDEERP C=C(C)CC[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001316845616 957072253 /nfs/dbraw/zinc/07/22/53/957072253.db2.gz LRYFEDUXPTZDNG-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[N@H+](CC)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001316907747 957116061 /nfs/dbraw/zinc/11/60/61/957116061.db2.gz RGWCTESVARWZAN-AWEZNQCLSA-N 2 0 267.417 1.034 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001317014158 957202763 /nfs/dbraw/zinc/20/27/63/957202763.db2.gz BPBSPPPSQDYJLN-LSDHHAIUSA-N 2 0 279.428 1.531 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001317192261 957333658 /nfs/dbraw/zinc/33/36/58/957333658.db2.gz JSUVCBAXANLIPE-INIZCTEOSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001331920008 957336512 /nfs/dbraw/zinc/33/65/12/957336512.db2.gz UINAPRNIKLCNPK-CHWSQXEVSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317245222 957375597 /nfs/dbraw/zinc/37/55/97/957375597.db2.gz GGGXUIASNYKHNV-KBPBESRZSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317380717 957442125 /nfs/dbraw/zinc/44/21/25/957442125.db2.gz GGAKODLWLJVAMK-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001318140598 957941251 /nfs/dbraw/zinc/94/12/51/957941251.db2.gz URWPLAWTWMNKBA-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001318428588 958103716 /nfs/dbraw/zinc/10/37/16/958103716.db2.gz KMUXWTLUCNNUOO-HOTGVXAUSA-N 2 0 293.455 1.663 10 30 CDEERP C=CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001319009464 958336257 /nfs/dbraw/zinc/33/62/57/958336257.db2.gz YNLBBGBKFAGRTM-UHFFFAOYSA-N 2 0 287.407 1.674 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001319102321 958376008 /nfs/dbraw/zinc/37/60/08/958376008.db2.gz SYICJELYLRPWLV-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001319281965 958476087 /nfs/dbraw/zinc/47/60/87/958476087.db2.gz MCOUOKUMBBAGGB-KGLIPLIRSA-N 2 0 267.417 1.246 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001569306254 1169754766 /nfs/dbraw/zinc/75/47/66/1169754766.db2.gz KDKWHELRETULFA-ZDUSSCGKSA-N 2 0 265.401 1.141 10 30 CDEERP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319644380 958672106 /nfs/dbraw/zinc/67/21/06/958672106.db2.gz ZCJNZLZYMHNAJA-HUUCEWRRSA-N 2 0 279.428 1.082 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001319716256 958697974 /nfs/dbraw/zinc/69/79/74/958697974.db2.gz UPOOGDLOVSDHEB-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001368896600 959232401 /nfs/dbraw/zinc/23/24/01/959232401.db2.gz LLWROQINRHRHJD-NEPJUHHUSA-N 2 0 285.819 1.318 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001569329510 1169768001 /nfs/dbraw/zinc/76/80/01/1169768001.db2.gz OXSOWKKVMMKCIR-CVEARBPZSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001369237439 959563124 /nfs/dbraw/zinc/56/31/24/959563124.db2.gz KIEPTRCZUNZQMR-GXTWGEPZSA-N 2 0 299.846 1.517 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC(=C)C)CC1 ZINC001321416561 959774273 /nfs/dbraw/zinc/77/42/73/959774273.db2.gz IWCMJCUDPQUXBT-WAYWQWQTSA-N 2 0 289.423 1.170 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]C(C)C)CC1 ZINC001321416334 959774304 /nfs/dbraw/zinc/77/43/04/959774304.db2.gz IHZIVOIGQFNHST-AATRIKPKSA-N 2 0 277.412 1.002 10 30 CDEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001495270086 972461127 /nfs/dbraw/zinc/46/11/27/972461127.db2.gz ZUJZUFBRANFUIM-DOTOQJQBSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001419384561 961646653 /nfs/dbraw/zinc/64/66/53/961646653.db2.gz KFXMDBRQBQQVCS-JOCQHMNTSA-N 2 0 287.835 1.708 10 30 CDEERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001437202147 962732128 /nfs/dbraw/zinc/73/21/28/962732128.db2.gz OPPUUULFROVZEO-CYBMUJFWSA-N 2 0 288.395 1.104 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001445651947 966261927 /nfs/dbraw/zinc/26/19/27/966261927.db2.gz ARLDCFPCFXNSDF-STQMWFEESA-N 2 0 287.835 1.708 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC001354488053 968738999 /nfs/dbraw/zinc/73/89/99/968738999.db2.gz SAYDEGWFFUEYFO-MBHSVXNSSA-N 2 0 251.374 1.152 10 30 CDEERP C=CC[C@H](CO)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001462157220 969670756 /nfs/dbraw/zinc/67/07/56/969670756.db2.gz KHMDUAKGCVWQHC-HWOWSKLDSA-N 2 0 282.428 1.547 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001496361021 972897355 /nfs/dbraw/zinc/89/73/55/972897355.db2.gz UVWFRXAMSXTODD-HUUCEWRRSA-N 2 0 293.455 1.424 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497878377 973561623 /nfs/dbraw/zinc/56/16/23/973561623.db2.gz RAFUQUSGABRUDW-CYBMUJFWSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001498424303 973899975 /nfs/dbraw/zinc/89/99/75/973899975.db2.gz DRKBCZVPBGMFGI-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001499101315 974186589 /nfs/dbraw/zinc/18/65/89/974186589.db2.gz XDEYZQXQLDKDPX-ZIAGYGMSSA-N 2 0 265.401 1.095 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001499858411 974317060 /nfs/dbraw/zinc/31/70/60/974317060.db2.gz VVSTYDABEUAHNQ-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001505445070 974880512 /nfs/dbraw/zinc/88/05/12/974880512.db2.gz OADGDHMKXNRSSZ-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)Cn2ccnc2)C1 ZINC001377725615 975120308 /nfs/dbraw/zinc/12/03/08/975120308.db2.gz MOYLADGHIWWFQN-ZDUSSCGKSA-N 2 0 296.802 1.464 10 30 CDEERP C=CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001506179702 975121583 /nfs/dbraw/zinc/12/15/83/975121583.db2.gz UUBZTIVGIHEKAR-BZUAXINKSA-N 2 0 295.471 1.975 10 30 CDEERP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCn2ccnc2)C(C)(C)C1 ZINC001506744458 975213525 /nfs/dbraw/zinc/21/35/25/975213525.db2.gz OHYQQRBMMUDTAH-CQSZACIVSA-N 2 0 290.411 1.676 10 30 CDEERP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001506748981 975216209 /nfs/dbraw/zinc/21/62/09/975216209.db2.gz CDZDEOGQLALJHG-CHWSQXEVSA-N 2 0 267.417 1.339 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001507160756 975359535 /nfs/dbraw/zinc/35/95/35/975359535.db2.gz FSAXTOCXEBKNHX-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC001507435107 975470478 /nfs/dbraw/zinc/47/04/78/975470478.db2.gz KSKHEYIRBVGXRI-HNNXBMFYSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001507950436 975571493 /nfs/dbraw/zinc/57/14/93/975571493.db2.gz FHLNMIGQYFCDEN-CYBMUJFWSA-N 2 0 281.444 1.777 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001508115817 975614801 /nfs/dbraw/zinc/61/48/01/975614801.db2.gz UHIZCEMJWXQOLL-SHARSMKWSA-N 2 0 279.428 1.626 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001394366338 978142454 /nfs/dbraw/zinc/14/24/54/978142454.db2.gz HSQMFLIDGIEBHO-AVGNSLFASA-N 2 0 285.819 1.318 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001674687641 1173988168 /nfs/dbraw/zinc/98/81/68/1173988168.db2.gz SZIXYROLUPYLTG-LSDHHAIUSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001674926389 1174037868 /nfs/dbraw/zinc/03/78/68/1174037868.db2.gz ZEMZKCPMSLYNMV-DZGCQCFKSA-N 2 0 279.428 1.341 10 30 CDEERP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001675343040 1174105123 /nfs/dbraw/zinc/10/51/23/1174105123.db2.gz IOLOWDSIFULAAW-GDBMZVCRSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCC[N@@H+](C)C1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001676079602 1174179462 /nfs/dbraw/zinc/17/94/62/1174179462.db2.gz TXQAONVFXRGFMO-UHFFFAOYSA-N 2 0 290.411 1.760 10 30 CDEERP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001677399950 1174358653 /nfs/dbraw/zinc/35/86/53/1174358653.db2.gz YPECCBNZUWAHAD-PRLABOORSA-N 2 0 293.455 1.872 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001570538705 1170182674 /nfs/dbraw/zinc/18/26/74/1170182674.db2.gz RTCYHCGIMZXNQK-HOTGVXAUSA-N 2 0 291.439 1.417 10 30 CDEERP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001570545738 1170184712 /nfs/dbraw/zinc/18/47/12/1170184712.db2.gz WZZTWSDYFANCRG-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C#CCC[NH+](C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001571334121 1170369739 /nfs/dbraw/zinc/36/97/39/1170369739.db2.gz MPCCPRBYYQNGBB-HNNXBMFYSA-N 2 0 291.439 1.274 10 30 CDEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571388045 1170403222 /nfs/dbraw/zinc/40/32/22/1170403222.db2.gz IGTGGRVDOHGWRH-RBSFLKMASA-N 2 0 281.444 1.729 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001571392045 1170407158 /nfs/dbraw/zinc/40/71/58/1170407158.db2.gz ODURDPSCTBYOKI-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001571558832 1170477101 /nfs/dbraw/zinc/47/71/01/1170477101.db2.gz RNMLNMAVBDTDFG-CABCVRRESA-N 2 0 293.455 1.423 10 30 CDEERP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000651701915 398154595 /nfs/dbraw/zinc/15/45/95/398154595.db2.gz FMCJYWRVZQIQMV-ARFHVFGLSA-N 2 0 265.445 1.957 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000594435652 342899215 /nfs/dbraw/zinc/89/92/15/342899215.db2.gz IICHVQDRTMTVMD-KFWWJZLASA-N 2 0 292.427 1.246 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000594435849 342899249 /nfs/dbraw/zinc/89/92/49/342899249.db2.gz ANELCBZIBNZQJI-CABCVRRESA-N 2 0 292.427 1.484 10 30 CDEERP CC1CC[NH+](CCC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600716519 342244351 /nfs/dbraw/zinc/24/43/51/342244351.db2.gz YINVXXIOODSXPF-HNNXBMFYSA-N 2 0 279.428 1.753 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000594457221 342911844 /nfs/dbraw/zinc/91/18/44/342911844.db2.gz WPLCWZJTVLJDLV-SOUVJXGZSA-N 2 0 292.427 1.388 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001661643810 1172420566 /nfs/dbraw/zinc/42/05/66/1172420566.db2.gz IOIOCUIZSQUYDK-CWRNSKLLSA-N 2 0 293.455 1.920 10 30 CDEERP C=CC[C@H]1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000651750056 412806152 /nfs/dbraw/zinc/80/61/52/412806152.db2.gz UTNNBVACQTZXAT-HOTGVXAUSA-N 2 0 265.445 1.958 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCN(C)[C@@H](C(C)C)C2)CCC[NH2+]1 ZINC000639018524 377130406 /nfs/dbraw/zinc/13/04/06/377130406.db2.gz MNKWVCZUWXNTAE-ZBFHGGJFSA-N 2 0 279.428 1.483 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000247556234 377151353 /nfs/dbraw/zinc/15/13/53/377151353.db2.gz ZQUWUDVFMVALHV-HOCLYGCPSA-N 2 0 289.423 1.027 10 30 CDEERP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001663537029 1172718230 /nfs/dbraw/zinc/71/82/30/1172718230.db2.gz JDKZOIXCLHGANG-HUUCEWRRSA-N 2 0 279.428 1.485 10 30 CDEERP C[N@@H+](Cc1cnc2ccc(C#N)cn12)CC1CC[NH+](C)CC1 ZINC000093088871 147035917 /nfs/dbraw/zinc/03/59/17/147035917.db2.gz DICDHGGUIHGURD-UHFFFAOYSA-N 2 0 297.406 1.980 10 30 CDEERP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001664009459 1172800683 /nfs/dbraw/zinc/80/06/83/1172800683.db2.gz YLLSQECFHLTBKH-LSDHHAIUSA-N 2 0 277.412 1.075 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H](C)C[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662684336 413305759 /nfs/dbraw/zinc/30/57/59/413305759.db2.gz ZZTUITXABBOLGX-ZBFHGGJFSA-N 2 0 279.428 1.675 10 30 CDEERP C=CC[C@]1(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662701748 413344622 /nfs/dbraw/zinc/34/46/22/413344622.db2.gz UXBJEWMAQOVGOJ-DOTOQJQBSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[C@]1(C(=O)NCC[N@@H+](C)C2CCCC2)CCC[NH2+]1 ZINC000662721303 413382513 /nfs/dbraw/zinc/38/25/13/413382513.db2.gz TXRKRIMBXOWBSC-MRXNPFEDSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001665227384 1172965519 /nfs/dbraw/zinc/96/55/19/1172965519.db2.gz CURZBRVXVUFHRL-CHWSQXEVSA-N 2 0 265.401 1.093 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001665686141 1173038764 /nfs/dbraw/zinc/03/87/64/1173038764.db2.gz DKHGDWRDIIGGMN-HNNXBMFYSA-N 2 0 279.428 1.581 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC000662777531 413482551 /nfs/dbraw/zinc/48/25/51/413482551.db2.gz GTIUUPWRIWMUMX-CVEARBPZSA-N 2 0 277.412 1.287 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659450749 413837182 /nfs/dbraw/zinc/83/71/82/413837182.db2.gz VFMGZDLRNRBEOX-CQSZACIVSA-N 2 0 282.432 1.309 10 30 CDEERP C=CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)COC ZINC000662298814 414623983 /nfs/dbraw/zinc/62/39/83/414623983.db2.gz HGHLBZRZHKHBJE-STQMWFEESA-N 2 0 254.374 1.030 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001665964243 1173093381 /nfs/dbraw/zinc/09/33/81/1173093381.db2.gz QWPVPLWRCQUXNH-CYBMUJFWSA-N 2 0 265.401 1.143 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001666637163 1173165019 /nfs/dbraw/zinc/16/50/19/1173165019.db2.gz YJAYZBQCGWARDL-AWEZNQCLSA-N 2 0 287.407 1.337 10 30 CDEERP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001666708212 1173176598 /nfs/dbraw/zinc/17/65/98/1173176598.db2.gz LVBSSRKNDQSHAL-LSDHHAIUSA-N 2 0 297.443 1.110 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662816618 424503648 /nfs/dbraw/zinc/50/36/48/424503648.db2.gz XHDRXSJUVRNWCY-UMVBOHGHSA-N 2 0 265.401 1.128 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001667751634 1173319746 /nfs/dbraw/zinc/31/97/46/1173319746.db2.gz LXCWUWRUKIGRQL-GJZGRUSLSA-N 2 0 293.455 1.472 10 30 CDEERP N#Cc1cccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000563212467 293314063 /nfs/dbraw/zinc/31/40/63/293314063.db2.gz XSIYTMQRNNHAGI-UHFFFAOYSA-N 2 0 298.434 1.864 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)CCC[NH+]1CCCCC1 ZINC001669195673 1173517719 /nfs/dbraw/zinc/51/77/19/1173517719.db2.gz SXXGIBQMOUIEBB-WAYWQWQTSA-N 2 0 291.439 1.538 10 30 CDEERP C[N@H+]1CC=C(CNC(=[NH2+])NCCc2cccs2)CC1 ZINC000263155718 330046334 /nfs/dbraw/zinc/04/63/34/330046334.db2.gz NDIWSKDQIJXRCW-UHFFFAOYSA-N 2 0 278.425 1.457 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001691446889 1159306266 /nfs/dbraw/zinc/30/62/66/1159306266.db2.gz JJSSJAJUNHAFRH-ZNMIVQPWSA-N 2 0 281.444 1.633 10 30 CDEERP C#CC[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001481186746 1159550338 /nfs/dbraw/zinc/55/03/38/1159550338.db2.gz WKQBSSZFYOBHJK-UHFFFAOYSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001482555860 1160390156 /nfs/dbraw/zinc/39/01/56/1160390156.db2.gz CXOAMKOULXLXLN-CVEARBPZSA-N 2 0 293.455 1.613 10 30 CDEERP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001691567306 1160701417 /nfs/dbraw/zinc/70/14/17/1160701417.db2.gz XLDOHNMWJNXDGV-CABCVRRESA-N 2 0 291.439 1.295 10 30 CDEERP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483257601 1160883849 /nfs/dbraw/zinc/88/38/49/1160883849.db2.gz GQFQTMAIAKDYDJ-HOCLYGCPSA-N 2 0 291.439 1.511 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001717954312 1180944644 /nfs/dbraw/zinc/94/46/44/1180944644.db2.gz DHOUDQVIKVATBW-KBPBESRZSA-N 2 0 279.428 1.224 10 30 CDEERP C[NH+](C)C[C@@H]1CCCN1Cc1ccc(C#CC[NH3+])cc1F ZINC000061652295 521840830 /nfs/dbraw/zinc/84/08/30/521840830.db2.gz CLBURRRFZNPHSW-INIZCTEOSA-N 2 0 289.398 1.662 10 30 CDEERP CC[C@@H](C)[NH+]1CCN(Cc2sccc2C#CC[NH3+])CC1 ZINC000055069296 522125808 /nfs/dbraw/zinc/12/58/08/522125808.db2.gz HFVISBOJGYHWHR-CQSZACIVSA-N 2 0 291.464 1.974 10 30 CDEERP CC#CC[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001677636848 1174381255 /nfs/dbraw/zinc/38/12/55/1174381255.db2.gz YFFTXUFKTZAJCT-UHFFFAOYSA-N 2 0 277.412 1.098 10 30 CDEERP [NH3+]CC#Cc1csc(C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052763104 527156263 /nfs/dbraw/zinc/15/62/63/527156263.db2.gz XRCMCLYPVNWXPQ-AWEZNQCLSA-N 2 0 278.421 1.795 10 30 CDEERP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001689317112 1175144743 /nfs/dbraw/zinc/14/47/43/1175144743.db2.gz WEQGMKHELKFOKT-OWCLPIDISA-N 2 0 293.455 1.709 10 30 CDEERP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621151 613785164 /nfs/dbraw/zinc/78/51/64/613785164.db2.gz PDJOKEAYNBIHQF-KGLIPLIRSA-N 2 0 279.428 1.483 10 30 CDEERP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCN1CCC([NH3+])CC1 ZINC000925813847 617761495 /nfs/dbraw/zinc/76/14/95/617761495.db2.gz CKUIODWRSDYZBK-SFHVURJKSA-N 2 0 298.434 1.948 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000909433952 619259239 /nfs/dbraw/zinc/25/92/39/619259239.db2.gz RTMSOKDRILJDBW-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000900619884 623304216 /nfs/dbraw/zinc/30/42/16/623304216.db2.gz WBJOAXCIONSEBY-HNNXBMFYSA-N 2 0 279.428 1.581 10 30 CDEERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2CC[C@H](C#N)C2)cnn1C ZINC000903929433 626150337 /nfs/dbraw/zinc/15/03/37/626150337.db2.gz FPZIHGZPHILTJB-GZBFAFLISA-N 2 0 275.400 1.128 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC000909207988 628569118 /nfs/dbraw/zinc/56/91/18/628569118.db2.gz HQOXUUVKOWRCLG-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266896390 1158967536 /nfs/dbraw/zinc/96/75/36/1158967536.db2.gz AMHCLFTVWLTXQG-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267776806 1159597688 /nfs/dbraw/zinc/59/76/88/1159597688.db2.gz NDGLBERDFWKXIP-KGLIPLIRSA-N 2 0 267.417 1.435 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000876751700 1165909601 /nfs/dbraw/zinc/90/96/01/1165909601.db2.gz VTIBXVCMLBZNBS-GXSJLCMTSA-N 2 0 259.781 1.055 10 30 CDEERP C=CC[N@@H+](C)CCN(CC)C(=O)C[NH+]1CCC(C)CC1 ZINC001626750929 1165956731 /nfs/dbraw/zinc/95/67/31/1165956731.db2.gz MNHZAAUWBUELOL-UHFFFAOYSA-N 2 0 281.444 1.685 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001634758715 1166535724 /nfs/dbraw/zinc/53/57/24/1166535724.db2.gz UKEHGPUVBGXMIJ-HNNXBMFYSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001634758716 1166535961 /nfs/dbraw/zinc/53/59/61/1166535961.db2.gz UKEHGPUVBGXMIJ-OAHLLOKOSA-N 2 0 279.428 1.485 10 30 CDEERP C=CC[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001691748015 1167354186 /nfs/dbraw/zinc/35/41/86/1167354186.db2.gz OYPYEKRITXKUPN-UHFFFAOYSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001565978194 1168207968 /nfs/dbraw/zinc/20/79/68/1168207968.db2.gz WHYMLAJWLKGBGT-PMPSAXMXSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001566552322 1168333495 /nfs/dbraw/zinc/33/34/95/1168333495.db2.gz DJJAXZQGHYZQFC-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001567281788 1168658262 /nfs/dbraw/zinc/65/82/62/1168658262.db2.gz GDHARHAAODWTTA-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001568191899 1169170530 /nfs/dbraw/zinc/17/05/30/1169170530.db2.gz NIDCQGYDOZFIGF-HZPDHXFCSA-N 2 0 293.455 1.474 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001569257963 1169739019 /nfs/dbraw/zinc/73/90/19/1169739019.db2.gz OHZLGPMWOMFQNU-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001569562076 1169925375 /nfs/dbraw/zinc/92/53/75/1169925375.db2.gz DIIJTSAUKMVFKX-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001569671621 1169962793 /nfs/dbraw/zinc/96/27/93/1169962793.db2.gz QUBUDMXXESTVFC-ZBFHGGJFSA-N 2 0 297.418 1.128 10 30 CDEERP C=CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001569845050 1170015912 /nfs/dbraw/zinc/01/59/12/1170015912.db2.gz QVEXWSPJWGOETA-KBPBESRZSA-N 2 0 279.428 1.198 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001650379054 1171002064 /nfs/dbraw/zinc/00/20/64/1171002064.db2.gz KMWIGLRUSAXETD-DGCLKSJQSA-N 2 0 293.798 1.936 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001656169995 1171781773 /nfs/dbraw/zinc/78/17/73/1171781773.db2.gz JACKIIMMLHNCFJ-HRCADAONSA-N 2 0 293.455 1.779 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001661832936 1172451965 /nfs/dbraw/zinc/45/19/65/1172451965.db2.gz RXNOQWHXUOBNCV-HUUCEWRRSA-N 2 0 279.428 1.342 10 30 CDEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001662871989 1172604608 /nfs/dbraw/zinc/60/46/08/1172604608.db2.gz CEHKWAUPVLKKAF-OAHLLOKOSA-N 2 0 279.428 1.581 10 30 CDEERP C=CC[NH2+][C@H](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001662945014 1172619746 /nfs/dbraw/zinc/61/97/46/1172619746.db2.gz VGVWFSSJXYIMMR-CYBMUJFWSA-N 2 0 299.378 1.551 10 30 CDEERP C#CC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001664578750 1172869717 /nfs/dbraw/zinc/86/97/17/1172869717.db2.gz TVARYOHMXRHOPJ-MRXNPFEDSA-N 2 0 299.418 1.551 10 30 CDEERP C[NH+](C)CC#CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001587078677 1172970998 /nfs/dbraw/zinc/97/09/98/1172970998.db2.gz FHPNWEKCSDKQAV-SJORKVTESA-N 2 0 299.418 1.013 10 30 CDEERP C=C(C)CC[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001668542592 1173426097 /nfs/dbraw/zinc/42/60/97/1173426097.db2.gz SJHUPJCSVWSSCH-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001674224452 1173926697 /nfs/dbraw/zinc/92/66/97/1173926697.db2.gz RJPHCKBTPOGAPK-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001674804414 1174011917 /nfs/dbraw/zinc/01/19/17/1174011917.db2.gz GJKCAPBCQSDAJO-UHFFFAOYSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001698893121 1175979316 /nfs/dbraw/zinc/97/93/16/1175979316.db2.gz QFYFTQVVFHFNHZ-ZIAGYGMSSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001699373473 1176329505 /nfs/dbraw/zinc/32/95/05/1176329505.db2.gz DTIVSGMPSUYVII-MGPQQGTHSA-N 2 0 267.417 1.530 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001699388114 1176346130 /nfs/dbraw/zinc/34/61/30/1176346130.db2.gz MXZOADGIMPEXQE-CQSZACIVSA-N 2 0 267.417 1.533 10 30 CDEERP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001699409724 1176373917 /nfs/dbraw/zinc/37/39/17/1176373917.db2.gz WTTALFGBGQEJRX-STQMWFEESA-N 2 0 255.406 1.243 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001699573564 1176479119 /nfs/dbraw/zinc/47/91/19/1176479119.db2.gz HWUUTMTVJQZBRI-CABCVRRESA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001699827989 1176644989 /nfs/dbraw/zinc/64/49/89/1176644989.db2.gz VZJMJTKEWVFNFY-OAHLLOKOSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001699836477 1176650792 /nfs/dbraw/zinc/65/07/92/1176650792.db2.gz IZMICJIGJNPSEO-BFYDXBDKSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001700079274 1176741769 /nfs/dbraw/zinc/74/17/69/1176741769.db2.gz JXSJAXKSUZFAQY-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001700319495 1176848651 /nfs/dbraw/zinc/84/86/51/1176848651.db2.gz AUVLPFFNQUNAGO-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001700428427 1176924606 /nfs/dbraw/zinc/92/46/06/1176924606.db2.gz AJSCEKLXCGVHMQ-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001700614840 1177037278 /nfs/dbraw/zinc/03/72/78/1177037278.db2.gz GNWNEMRTHVFJSX-JYJNAYRXSA-N 2 0 293.455 1.731 10 30 CDEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001700731304 1177098064 /nfs/dbraw/zinc/09/80/64/1177098064.db2.gz GRJGMIMWXSYCTR-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C ZINC001700998114 1177231022 /nfs/dbraw/zinc/23/10/22/1177231022.db2.gz KWOJLWXPWOWTRU-AWEZNQCLSA-N 2 0 281.444 1.472 10 30 CDEERP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001707267431 1177986816 /nfs/dbraw/zinc/98/68/16/1177986816.db2.gz BDVIATRKBQLPNK-CABCVRRESA-N 2 0 277.412 1.075 10 30 CDEERP C=CCC[N@H+](CC)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001707451238 1178054037 /nfs/dbraw/zinc/05/40/37/1178054037.db2.gz KRZBBTBBLARWBI-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CC[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001707478785 1178071426 /nfs/dbraw/zinc/07/14/26/1178071426.db2.gz DHDDTRCMCJMVBN-UHFFFAOYSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001713135523 1178388895 /nfs/dbraw/zinc/38/88/95/1178388895.db2.gz LPFHWPFYOMQUAJ-JKSUJKDBSA-N 2 0 291.439 1.132 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001713362270 1178521489 /nfs/dbraw/zinc/52/14/89/1178521489.db2.gz VJQBGIFWBYVIBN-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713734138 1178728820 /nfs/dbraw/zinc/72/88/20/1178728820.db2.gz CSFMPUGULNDYSA-HZPDHXFCSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001713753114 1178737696 /nfs/dbraw/zinc/73/76/96/1178737696.db2.gz CUZJRRJVJMDWQC-HNNXBMFYSA-N 2 0 291.439 1.581 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001714194463 1179009207 /nfs/dbraw/zinc/00/92/07/1179009207.db2.gz LMKZSITZTMEFSB-UHFFFAOYSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714906814 1179446835 /nfs/dbraw/zinc/44/68/35/1179446835.db2.gz GEHBXIOPMZZPIN-INIZCTEOSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001715455700 1179671388 /nfs/dbraw/zinc/67/13/88/1179671388.db2.gz GACDAYYWKDBZQO-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001715522652 1179697931 /nfs/dbraw/zinc/69/79/31/1179697931.db2.gz NYYYDLOOYRXACC-OAHLLOKOSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001715891223 1179900740 /nfs/dbraw/zinc/90/07/40/1179900740.db2.gz SDPDTLAXBJPXIR-AATRIKPKSA-N 2 0 293.455 1.945 10 30 CDEERP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001716334463 1180159149 /nfs/dbraw/zinc/15/91/49/1180159149.db2.gz RWVHFKUSHBIMPI-WLMCBFPDSA-N 2 0 291.439 1.394 10 30 CDEERP C#CC[NH2+]C/C=C/CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001716378626 1180173829 /nfs/dbraw/zinc/17/38/29/1180173829.db2.gz KHKLIVUSIVQWRE-AATRIKPKSA-N 2 0 285.391 1.257 10 30 CDEERP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001716412701 1180193829 /nfs/dbraw/zinc/19/38/29/1180193829.db2.gz MQZQXBCELPXEEY-CJNGLKHVSA-N 2 0 297.418 1.317 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001716963057 1180483161 /nfs/dbraw/zinc/48/31/61/1180483161.db2.gz JEYAPQZYTBWARJ-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001716984527 1180491972 /nfs/dbraw/zinc/49/19/72/1180491972.db2.gz KHIJYRJWKLLDQG-LSDHHAIUSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001717215664 1180579366 /nfs/dbraw/zinc/57/93/66/1180579366.db2.gz QWYSDQHSPXXHDU-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=CCC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001717293645 1180607681 /nfs/dbraw/zinc/60/76/81/1180607681.db2.gz POKMVQQBXSMEGX-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001717304988 1180611365 /nfs/dbraw/zinc/61/13/65/1180611365.db2.gz ZZWRXMCCIPCGPJ-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CC[N@@H+](C)CCC ZINC001717749837 1180826948 /nfs/dbraw/zinc/82/69/48/1180826948.db2.gz AWEYOVWCPCTDLF-AWEZNQCLSA-N 2 0 267.417 1.178 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001717855860 1180894727 /nfs/dbraw/zinc/89/47/27/1180894727.db2.gz LMZNIDHZCASNSR-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1CC ZINC001723384347 1181545710 /nfs/dbraw/zinc/54/57/10/1181545710.db2.gz ICWRCNOISDWKLJ-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001724658895 1181716456 /nfs/dbraw/zinc/71/64/56/1181716456.db2.gz MCMNZHXABGGPDJ-JKSUJKDBSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001725390844 1181984710 /nfs/dbraw/zinc/98/47/10/1181984710.db2.gz XMUXRPQWRRZNJI-HOTGVXAUSA-N 2 0 293.455 1.757 10 30 CDEERP C=CCC[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001731349519 1182331993 /nfs/dbraw/zinc/33/19/93/1182331993.db2.gz IQUADHDXLLTQBG-UHFFFAOYSA-N 2 0 281.444 1.827 10 30 CDEERP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001731695692 1182520361 /nfs/dbraw/zinc/52/03/61/1182520361.db2.gz TZJSVMQCQYIILY-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001731720204 1182532056 /nfs/dbraw/zinc/53/20/56/1182532056.db2.gz MKBNJYTXIYNXBP-INIZCTEOSA-N 2 0 293.455 1.664 10 30 CDEERP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001732041033 1182736578 /nfs/dbraw/zinc/73/65/78/1182736578.db2.gz DAHHANVRJAQLAN-CVEARBPZSA-N 2 0 293.455 1.827 10 30 CDEERP C#CC[NH+](C)CC1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001732086254 1182757732 /nfs/dbraw/zinc/75/77/32/1182757732.db2.gz KXRYFZXJKREDIP-UHFFFAOYSA-N 2 0 293.455 1.522 10 30 CDEERP C=C(C)CC[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001732126624 1182788070 /nfs/dbraw/zinc/78/80/70/1182788070.db2.gz QTGVVYJAPUFFJV-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001732237598 1182875922 /nfs/dbraw/zinc/87/59/22/1182875922.db2.gz NUWSTRXZCNHPSJ-HNNXBMFYSA-N 2 0 293.455 1.923 10 30 CDEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001732267431 1182888986 /nfs/dbraw/zinc/88/89/86/1182888986.db2.gz OSDDBJTURKTRKL-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCCC1 ZINC001732400782 1182944771 /nfs/dbraw/zinc/94/47/71/1182944771.db2.gz YGQSYIIICQNCTN-UHFFFAOYSA-N 2 0 291.439 1.514 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001732572171 1183015521 /nfs/dbraw/zinc/01/55/21/1183015521.db2.gz QZPOLVZEIFRPMS-CQSZACIVSA-N 2 0 279.428 1.389 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732854099 1183159939 /nfs/dbraw/zinc/15/99/39/1183159939.db2.gz WKVNQAGWVYILTR-BUHQSOCUSA-N 2 0 299.846 1.731 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732907588 1183179200 /nfs/dbraw/zinc/17/92/00/1183179200.db2.gz BLWWHNIKKVGWCE-XHPSBEMXSA-N 2 0 277.412 1.146 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001733144939 1183306955 /nfs/dbraw/zinc/30/69/55/1183306955.db2.gz LGHCPFKEQXYNQE-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001733324223 1183397168 /nfs/dbraw/zinc/39/71/68/1183397168.db2.gz CRHUPPFLUSVPRB-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[NH+]1CCC(C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001733360501 1183409453 /nfs/dbraw/zinc/40/94/53/1183409453.db2.gz VLULJDMGSXHCHI-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001733426942 1183430118 /nfs/dbraw/zinc/43/01/18/1183430118.db2.gz LIUYERXQEXZNMO-INIZCTEOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001733440667 1183433867 /nfs/dbraw/zinc/43/38/67/1183433867.db2.gz IVTHWSBUMBEPFT-MRXNPFEDSA-N 2 0 291.439 1.487 10 30 CDEERP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001733663421 1183492182 /nfs/dbraw/zinc/49/21/82/1183492182.db2.gz CNRCHXCKMWNFIY-HNNXBMFYSA-N 2 0 281.444 1.733 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001733879590 1183557382 /nfs/dbraw/zinc/55/73/82/1183557382.db2.gz SIZDEGIOOOGYBV-CQSZACIVSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001734001574 1183609747 /nfs/dbraw/zinc/60/97/47/1183609747.db2.gz OFQZRVLQYMMITN-OLZOCXBDSA-N 2 0 255.406 1.387 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001734253621 1183704571 /nfs/dbraw/zinc/70/45/71/1183704571.db2.gz DCWDOAOJTDUTQP-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001734305895 1183721892 /nfs/dbraw/zinc/72/18/92/1183721892.db2.gz XUZGBHUEOQSSLW-CQSZACIVSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)C[N@@H+](CC)CC(=O)NC1CC[NH+](C)CC1 ZINC000877935085 705400266 /nfs/dbraw/zinc/40/02/66/705400266.db2.gz HNCONSNUAKTPDW-UHFFFAOYSA-N 2 0 253.390 1.095 10 30 CDEERP O=C(C#CC1CC[NH2+]CC1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000852881972 705567851 /nfs/dbraw/zinc/56/78/51/705567851.db2.gz UNEHNWCHQRFDNS-UHFFFAOYSA-N 2 0 299.374 1.110 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000876771595 706123273 /nfs/dbraw/zinc/12/32/73/706123273.db2.gz UELZZJJUSCNCCX-STQMWFEESA-N 2 0 285.819 1.401 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C1CCC([NH3+])CC1 ZINC000876539962 709846126 /nfs/dbraw/zinc/84/61/26/709846126.db2.gz CKOLMCXTUOSFAY-VQXHTEKXSA-N 2 0 259.781 1.185 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH2+]C ZINC000876509877 709995972 /nfs/dbraw/zinc/99/59/72/709995972.db2.gz NTUAKOORURIAEP-LLVKDONJSA-N 2 0 267.760 1.814 10 30 CDEERP C=CCN1CC[C@H]([N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866709388 710398240 /nfs/dbraw/zinc/39/82/40/710398240.db2.gz XACQRUCUWFQTKA-XJKSGUPXSA-N 2 0 279.428 1.470 10 30 CDEERP C#Cc1ccc(NC(=O)CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000929312159 710424111 /nfs/dbraw/zinc/42/41/11/710424111.db2.gz ILBPQOFUTNZUGR-GASCZTMLSA-N 2 0 283.375 1.148 10 30 CDEERP N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000819322639 710427700 /nfs/dbraw/zinc/42/77/00/710427700.db2.gz UKTYNJURJSXMCT-CZUORRHYSA-N 2 0 282.347 1.462 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000876713601 710428502 /nfs/dbraw/zinc/42/85/02/710428502.db2.gz RMHYSZUOJNVARD-STQMWFEESA-N 2 0 287.835 1.837 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000876827130 711685647 /nfs/dbraw/zinc/68/56/47/711685647.db2.gz LOTVOQCEOAHEQY-ZDUSSCGKSA-N 2 0 279.771 1.376 10 30 CDEERP C#CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000863558106 711759838 /nfs/dbraw/zinc/75/98/38/711759838.db2.gz WCVVEFSNEBDVTO-ZWKOTPCHSA-N 2 0 286.419 1.667 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000877452291 711785384 /nfs/dbraw/zinc/78/53/84/711785384.db2.gz WJPLAAJDAJPTKA-TUAOUCFPSA-N 2 0 271.792 1.151 10 30 CDEERP CN(C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C1(C[NH3+])CCC1 ZINC000867973981 711819985 /nfs/dbraw/zinc/81/99/85/711819985.db2.gz AXXXDYVSUBOQFM-OAHLLOKOSA-N 2 0 298.390 1.085 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000877206962 1165995443 /nfs/dbraw/zinc/99/54/43/1165995443.db2.gz TWRWUDAKLQQRLE-LLVKDONJSA-N 2 0 273.808 1.399 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001571356930 1167591065 /nfs/dbraw/zinc/59/10/65/1167591065.db2.gz BGTLMUMRMVLXFE-KGLIPLIRSA-N 2 0 265.401 1.093 10 30 CDEERP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001566692521 1168388880 /nfs/dbraw/zinc/38/88/80/1168388880.db2.gz IFYIWXOJMGFNSE-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001566929432 1168470127 /nfs/dbraw/zinc/47/01/27/1168470127.db2.gz ZZMPIAXPZXWBHR-LSDHHAIUSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001566940808 1168475481 /nfs/dbraw/zinc/47/54/81/1168475481.db2.gz RJDQWPSCWKHVGB-CABCVRRESA-N 2 0 279.428 1.177 10 30 CDEERP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001567347998 1168693470 /nfs/dbraw/zinc/69/34/70/1168693470.db2.gz QMAXSJWGLVYGCF-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001266377316 894626794 /nfs/dbraw/zinc/62/67/94/894626794.db2.gz UCKMTVLNEIKFKA-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266473019 895015678 /nfs/dbraw/zinc/01/56/78/895015678.db2.gz UXPZVDMFJCTDCU-MRXNPFEDSA-N 2 0 291.439 1.276 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266880866 896266415 /nfs/dbraw/zinc/26/64/15/896266415.db2.gz QABBCNXOYMYAHH-GJZGRUSLSA-N 2 0 279.428 1.485 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001266881242 896274310 /nfs/dbraw/zinc/27/43/10/896274310.db2.gz UGIPQDHNXGLHSE-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001267217419 897180125 /nfs/dbraw/zinc/18/01/25/897180125.db2.gz GOCHEMMPRVJWRN-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001481120741 898929437 /nfs/dbraw/zinc/92/94/37/898929437.db2.gz KCMJZKKRFLPGHP-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001267988516 900207058 /nfs/dbraw/zinc/20/70/58/900207058.db2.gz UJZYSXDBRKFFGA-HUUCEWRRSA-N 2 0 279.428 1.226 10 30 CDEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001481333797 900435897 /nfs/dbraw/zinc/43/58/97/900435897.db2.gz GKIRHRYODHLEEB-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001268140618 901397711 /nfs/dbraw/zinc/39/77/11/901397711.db2.gz ILWKXMZPHKCLHL-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001268176664 901531123 /nfs/dbraw/zinc/53/11/23/901531123.db2.gz DIXHNQYCCRMXPH-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001481640720 901573315 /nfs/dbraw/zinc/57/33/15/901573315.db2.gz WRINXBQAGWNBEW-HOCLYGCPSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001268451309 902086434 /nfs/dbraw/zinc/08/64/34/902086434.db2.gz IJBMCPKXLRYINE-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001481868415 902244982 /nfs/dbraw/zinc/24/49/82/902244982.db2.gz FTGBRGYXSCCZMG-LSDHHAIUSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001268848296 903177464 /nfs/dbraw/zinc/17/74/64/903177464.db2.gz WTNHLTMEDMABJC-UHFFFAOYSA-N 2 0 267.417 1.036 10 30 CDEERP C#CCC[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001270260575 904487161 /nfs/dbraw/zinc/48/71/61/904487161.db2.gz CDBQAHRQIRHBSU-UHFFFAOYSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCC1 ZINC001270413025 904619810 /nfs/dbraw/zinc/61/98/10/904619810.db2.gz JDLVAWCSQRZEIU-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001270443569 904638564 /nfs/dbraw/zinc/63/85/64/904638564.db2.gz IOPWDAKVVVPIDS-GJZGRUSLSA-N 2 0 279.428 1.082 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001270566851 904740009 /nfs/dbraw/zinc/74/00/09/904740009.db2.gz DLYYLCZRSGUMLX-ZIAGYGMSSA-N 2 0 267.417 1.246 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CCC)CC1 ZINC001270604836 904784483 /nfs/dbraw/zinc/78/44/83/904784483.db2.gz SFPZZPQKRANLSX-AWEZNQCLSA-N 2 0 279.428 1.084 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC2CC2)CC1 ZINC001482366606 905208009 /nfs/dbraw/zinc/20/80/09/905208009.db2.gz BDWNUGONOMWBRI-CQSZACIVSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001270885458 905328801 /nfs/dbraw/zinc/32/88/01/905328801.db2.gz JSMPPMOBDUSQML-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001482538804 906952875 /nfs/dbraw/zinc/95/28/75/906952875.db2.gz FSAGMHORQXSQKT-HNNXBMFYSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001567928178 1169073915 /nfs/dbraw/zinc/07/39/15/1169073915.db2.gz CXBKLLWJWMDYOC-HNNXBMFYSA-N 2 0 279.428 1.581 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001482649757 908116308 /nfs/dbraw/zinc/11/63/08/908116308.db2.gz JOUZPXMQRFYVCL-HUUCEWRRSA-N 2 0 281.444 1.826 10 30 CDEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001273578250 921406752 /nfs/dbraw/zinc/40/67/52/921406752.db2.gz OKIHQTHGZRRWNY-HNNXBMFYSA-N 2 0 281.444 1.685 10 30 CDEERP CC#CC[N@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001272144990 908625397 /nfs/dbraw/zinc/62/53/97/908625397.db2.gz FYPIVTYMOLMYOG-UHFFFAOYSA-N 2 0 293.455 1.520 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001409424767 910392369 /nfs/dbraw/zinc/39/23/69/910392369.db2.gz VIJPZSLYDQWZED-RYUDHWBXSA-N 2 0 287.835 1.564 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001507161211 910842584 /nfs/dbraw/zinc/84/25/84/910842584.db2.gz BWZIUKZJSKOSNJ-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP CC#CC[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001568041079 1169126851 /nfs/dbraw/zinc/12/68/51/1169126851.db2.gz PHVFUYIMSYFLQM-DOTOQJQBSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484123990 915448764 /nfs/dbraw/zinc/44/87/64/915448764.db2.gz VVFNXKASILPYIM-NVXWUHKLSA-N 2 0 295.471 1.977 10 30 CDEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001484537642 915866867 /nfs/dbraw/zinc/86/68/67/915866867.db2.gz JXOHJNIEZXYJSI-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001484743189 916106804 /nfs/dbraw/zinc/10/68/04/916106804.db2.gz YOXAHWVDEWDRQV-MRXNPFEDSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485739289 917233434 /nfs/dbraw/zinc/23/34/34/917233434.db2.gz PJZBOQAVLGRYPE-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)C[C@H](CO)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001183509943 918512471 /nfs/dbraw/zinc/51/24/71/918512471.db2.gz BAVXSNFOCPTGRB-AQFXKWCLSA-N 2 0 296.455 1.937 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001485919326 920576537 /nfs/dbraw/zinc/57/65/37/920576537.db2.gz GCBCXGGUMLSTHT-LSDHHAIUSA-N 2 0 281.444 1.567 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001486087691 920688857 /nfs/dbraw/zinc/68/88/57/920688857.db2.gz ARASSUNCPUJZQS-UONOGXRCSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001486121490 920730164 /nfs/dbraw/zinc/73/01/64/920730164.db2.gz LNYRMUNDHBMYPL-STQMWFEESA-N 2 0 265.401 1.093 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2ccnc2C)C1 ZINC001486129914 920734271 /nfs/dbraw/zinc/73/42/71/920734271.db2.gz RYVNYSUNXQEDNT-UKRRQHHQSA-N 2 0 290.411 1.737 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001486131504 920737556 /nfs/dbraw/zinc/73/75/56/920737556.db2.gz QDYAUPCPKZMFJC-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[N@H+]1CCC[C@H](NC(=O)CCCn2ccnc2)[C@H]1C ZINC001486185880 920789637 /nfs/dbraw/zinc/78/96/37/920789637.db2.gz DVHUQMBHRVPQBX-CABCVRRESA-N 2 0 288.395 1.266 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001273610827 922281715 /nfs/dbraw/zinc/28/17/15/922281715.db2.gz QQUYZVLVZJZRDX-INIZCTEOSA-N 2 0 299.434 1.823 10 30 CDEERP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001491119193 936861263 /nfs/dbraw/zinc/86/12/63/936861263.db2.gz CAJINWZOOKFVLQ-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001491225951 936879548 /nfs/dbraw/zinc/87/95/48/936879548.db2.gz RQVIBZVNTQRWLD-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP CC#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001490270910 927067618 /nfs/dbraw/zinc/06/76/18/927067618.db2.gz XSWVFVYSVLBZEX-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001490577133 927239482 /nfs/dbraw/zinc/23/94/82/927239482.db2.gz SUDUIVHUMFISKC-INIZCTEOSA-N 2 0 291.439 1.466 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001274944228 931614181 /nfs/dbraw/zinc/61/41/81/931614181.db2.gz TVHPWRFYJMCCLA-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001275815506 932059532 /nfs/dbraw/zinc/05/95/32/932059532.db2.gz HRESPADKFUVCTJ-JKSUJKDBSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCCC1 ZINC001278267386 945226878 /nfs/dbraw/zinc/22/68/78/945226878.db2.gz LPZSNJOTERORQO-MRXNPFEDSA-N 2 0 291.439 1.226 10 30 CDEERP C=CCC[NH+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001329471798 939795634 /nfs/dbraw/zinc/79/56/34/939795634.db2.gz MMOAXGNJQJJKRY-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001276737920 940932748 /nfs/dbraw/zinc/93/27/48/940932748.db2.gz NAKGQKFRMPSJQO-JONQDZQNSA-N 2 0 293.455 1.443 10 30 CDEERP C=CCCCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001276970057 941750828 /nfs/dbraw/zinc/75/08/28/941750828.db2.gz LQZKOIHUPIUDFS-HOTGVXAUSA-N 2 0 293.455 1.875 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001280186684 942422433 /nfs/dbraw/zinc/42/24/33/942422433.db2.gz RXDIJANGBIJKKH-HZPDHXFCSA-N 2 0 293.455 1.424 10 30 CDEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001280198573 942423520 /nfs/dbraw/zinc/42/35/20/942423520.db2.gz SVEWUFLCZREMGF-CABCVRRESA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001281450157 942578335 /nfs/dbraw/zinc/57/83/35/942578335.db2.gz IBRNCNVHKCHUFW-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001281458369 942579256 /nfs/dbraw/zinc/57/92/56/942579256.db2.gz OQSMOIRHGZPLIH-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCOCC[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001281509035 942587707 /nfs/dbraw/zinc/58/77/07/942587707.db2.gz QBAFGRWWGYOWFO-UHFFFAOYSA-N 2 0 297.443 1.111 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001281931948 942633262 /nfs/dbraw/zinc/63/32/62/942633262.db2.gz GQMABLDCWBTFLM-HOTGVXAUSA-N 2 0 291.439 1.415 10 30 CDEERP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001282215063 942680006 /nfs/dbraw/zinc/68/00/06/942680006.db2.gz PLXGMJHYKIPOCP-KBPBESRZSA-N 2 0 279.428 1.223 10 30 CDEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001282335800 942690421 /nfs/dbraw/zinc/69/04/21/942690421.db2.gz SLLJRPWSIGQTLA-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001282739732 942748121 /nfs/dbraw/zinc/74/81/21/942748121.db2.gz VFVBMOQPYDCSOS-ZIAGYGMSSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001283534856 942927371 /nfs/dbraw/zinc/92/73/71/942927371.db2.gz ZNSIOSLDUNQWHW-MRXNPFEDSA-N 2 0 293.455 1.731 10 30 CDEERP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001284059292 943067006 /nfs/dbraw/zinc/06/70/06/943067006.db2.gz WCKVDZJOFDYGBT-YCPHGPKFSA-N 2 0 279.428 1.626 10 30 CDEERP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001284148300 943088881 /nfs/dbraw/zinc/08/88/81/943088881.db2.gz IUNPCQAFBNYJHO-GJZGRUSLSA-N 2 0 281.444 1.872 10 30 CDEERP CC#CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001284623852 943227353 /nfs/dbraw/zinc/22/73/53/943227353.db2.gz BPGCUUYVEIJXRB-HNNXBMFYSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001284617874 943227482 /nfs/dbraw/zinc/22/74/82/943227482.db2.gz IBOOAAYKHDRVNG-CYBMUJFWSA-N 2 0 267.417 1.082 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001263835348 943996262 /nfs/dbraw/zinc/99/62/62/943996262.db2.gz OZXXKHBHXQZRID-OKILXGFUSA-N 2 0 279.428 1.531 10 30 CDEERP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001265334609 944348323 /nfs/dbraw/zinc/34/83/23/944348323.db2.gz VPOULZZOTOMLQY-CQSZACIVSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001265688650 944470791 /nfs/dbraw/zinc/47/07/91/944470791.db2.gz YYUNHPNLURYRBM-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001265793790 944511460 /nfs/dbraw/zinc/51/14/60/944511460.db2.gz AMLVVKGULZEMFF-LSDHHAIUSA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCCCC)CC1 ZINC001265870801 944550381 /nfs/dbraw/zinc/55/03/81/944550381.db2.gz WRZJJNWWMWCPSM-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001266006030 944625326 /nfs/dbraw/zinc/62/53/26/944625326.db2.gz GZQWQXNOIUZXPB-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001266218764 944766058 /nfs/dbraw/zinc/76/60/58/944766058.db2.gz BAPMENMMKNNDFS-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001479740048 971389264 /nfs/dbraw/zinc/38/92/64/971389264.db2.gz WIYUTTMDFFRIBL-INIZCTEOSA-N 2 0 293.455 1.663 10 30 CDEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001479739240 971390492 /nfs/dbraw/zinc/39/04/92/971390492.db2.gz URHVXPQXNLOWJP-HNNXBMFYSA-N 2 0 289.423 1.028 10 30 CDEERP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278399456 947561556 /nfs/dbraw/zinc/56/15/56/947561556.db2.gz YSYWSWAQIPNQCW-ZIAGYGMSSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001479839211 971446462 /nfs/dbraw/zinc/44/64/62/971446462.db2.gz NJALWQTXDAGLRZ-ZDUSSCGKSA-N 2 0 287.835 1.661 10 30 CDEERP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001480143745 971600525 /nfs/dbraw/zinc/60/05/25/971600525.db2.gz KBPDJUGEYRVLOE-RBSFLKMASA-N 2 0 277.412 1.121 10 30 CDEERP CC#CC[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001480267620 971654861 /nfs/dbraw/zinc/65/48/61/971654861.db2.gz PHZXYBTXUVIFDU-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001480359888 971686545 /nfs/dbraw/zinc/68/65/45/971686545.db2.gz RJDQWPSCWKHVGB-LSDHHAIUSA-N 2 0 279.428 1.177 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480486153 971751238 /nfs/dbraw/zinc/75/12/38/971751238.db2.gz JNKTVBFMEIOUME-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001493042563 971930686 /nfs/dbraw/zinc/93/06/86/971930686.db2.gz GJHSQSQZRASGHU-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001324640647 953487969 /nfs/dbraw/zinc/48/79/69/953487969.db2.gz DZVKRIBQNNPWNG-HNNXBMFYSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001325561618 953948273 /nfs/dbraw/zinc/94/82/73/953948273.db2.gz LWSMMYXXBVRYGS-KGLIPLIRSA-N 2 0 267.417 1.198 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491883589 955492495 /nfs/dbraw/zinc/49/24/95/955492495.db2.gz WJTHENNWLJMANY-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001492102245 955629250 /nfs/dbraw/zinc/62/92/50/955629250.db2.gz VPDDHSDQIPBCFQ-AWEZNQCLSA-N 2 0 267.417 1.389 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001329302868 955811751 /nfs/dbraw/zinc/81/17/51/955811751.db2.gz LCEJWLWTSMKSDO-UHFFFAOYSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001317193867 955812715 /nfs/dbraw/zinc/81/27/15/955812715.db2.gz OPNZKWVHDKBGFV-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001329328329 955827325 /nfs/dbraw/zinc/82/73/25/955827325.db2.gz SVAMVMDBOIGZSH-UHFFFAOYSA-N 2 0 293.455 1.426 10 30 CDEERP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001569232291 1169729234 /nfs/dbraw/zinc/72/92/34/1169729234.db2.gz RDPIGHVSGVQXQC-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001316708818 956806230 /nfs/dbraw/zinc/80/62/30/956806230.db2.gz PAGYQRNMAHNKLE-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@H+](CC)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001316910656 956881086 /nfs/dbraw/zinc/88/10/86/956881086.db2.gz FMJASXNKNJPDLC-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C ZINC001316704403 956925382 /nfs/dbraw/zinc/92/53/82/956925382.db2.gz QSMFTFAYWSKCKZ-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317104005 956960645 /nfs/dbraw/zinc/96/06/45/956960645.db2.gz CFRXBKWUIKHUOQ-XQLPTFJDSA-N 2 0 279.428 1.672 10 30 CDEERP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001316954201 957150695 /nfs/dbraw/zinc/15/06/95/957150695.db2.gz MSVXIZHLWJFSRD-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316985995 957184048 /nfs/dbraw/zinc/18/40/48/957184048.db2.gz NRWPAYMXDCCFFF-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001367107628 957676977 /nfs/dbraw/zinc/67/69/77/957676977.db2.gz VAQJRSPSDAGMFZ-VXGBXAGGSA-N 2 0 275.824 1.564 10 30 CDEERP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001333042618 958038896 /nfs/dbraw/zinc/03/88/96/958038896.db2.gz ILNFESCDBVJTMV-YMAMQOFZSA-N 2 0 279.428 1.626 10 30 CDEERP C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC001319758218 958713868 /nfs/dbraw/zinc/71/38/68/958713868.db2.gz MKUWCXCYZPYGRU-KBPBESRZSA-N 2 0 263.385 1.612 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001322243180 960149906 /nfs/dbraw/zinc/14/99/06/960149906.db2.gz CMQVHDATJUCONY-HUUCEWRRSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001419949390 962271253 /nfs/dbraw/zinc/27/12/53/962271253.db2.gz XQCKHNIDXVKXPL-QWHCGFSZSA-N 2 0 289.851 1.810 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001420014253 962367564 /nfs/dbraw/zinc/36/75/64/962367564.db2.gz MALXCKFNRGRMMA-OLZOCXBDSA-N 2 0 285.819 1.129 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC001342017230 963612424 /nfs/dbraw/zinc/61/24/24/963612424.db2.gz ZANOEXHPBYCGCH-OLZOCXBDSA-N 2 0 265.401 1.461 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001343217186 963929890 /nfs/dbraw/zinc/92/98/90/963929890.db2.gz MYTXYKASIAFCDF-VGWMRTNUSA-N 2 0 293.455 1.859 10 30 CDEERP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001446600561 966595507 /nfs/dbraw/zinc/59/55/07/966595507.db2.gz GXRBYCVNEOYWRC-AWEZNQCLSA-N 2 0 287.835 1.519 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001515597360 969903702 /nfs/dbraw/zinc/90/37/02/969903702.db2.gz DFTORSIQBNBQHZ-YIYPIFLZSA-N 2 0 265.401 1.126 10 30 CDEERP C=CC[NH+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001569642163 1169949070 /nfs/dbraw/zinc/94/90/70/1169949070.db2.gz YGSAPXJWMUWYJX-HOCLYGCPSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001495575695 972541521 /nfs/dbraw/zinc/54/15/21/972541521.db2.gz BZYHHARNAWEIFF-MRXNPFEDSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001495729776 972612246 /nfs/dbraw/zinc/61/22/46/972612246.db2.gz GTYZPUIKBNXVFB-ZDUSSCGKSA-N 2 0 267.417 1.246 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496299086 972878869 /nfs/dbraw/zinc/87/88/69/972878869.db2.gz GXADBEZXUBOVRT-LSDHHAIUSA-N 2 0 279.428 1.082 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001496453141 972928928 /nfs/dbraw/zinc/92/89/28/972928928.db2.gz XPLOZKYFEHSUFA-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497219424 973250385 /nfs/dbraw/zinc/25/03/85/973250385.db2.gz AKOXTQPLLYIBBN-HOTGVXAUSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)C[N@H+](C)CC(C)(C)C ZINC001497456184 973356453 /nfs/dbraw/zinc/35/64/53/973356453.db2.gz VXOGYRVYWYSHHQ-UHFFFAOYSA-N 2 0 281.444 1.426 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001498060461 973654087 /nfs/dbraw/zinc/65/40/87/973654087.db2.gz SUVKVQAVHPNZBJ-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C[NH+]1CCCC1 ZINC001373824406 973657503 /nfs/dbraw/zinc/65/75/03/973657503.db2.gz FVWQEWMZQJSQBM-LBPRGKRZSA-N 2 0 273.808 1.319 10 30 CDEERP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001498289431 973810728 /nfs/dbraw/zinc/81/07/28/973810728.db2.gz RLGZNMXPVAPHOY-HZSPNIEDSA-N 2 0 267.417 1.339 10 30 CDEERP C#CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001499858412 974316998 /nfs/dbraw/zinc/31/69/98/974316998.db2.gz VVSTYDABEUAHNQ-GJZGRUSLSA-N 2 0 277.412 1.075 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001502970468 974805494 /nfs/dbraw/zinc/80/54/94/974805494.db2.gz RUMPYKLTBFWPCV-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001506741400 975214338 /nfs/dbraw/zinc/21/43/38/975214338.db2.gz GIFWZIZLCLHRHS-UONOGXRCSA-N 2 0 299.434 1.679 10 30 CDEERP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001506935208 975266237 /nfs/dbraw/zinc/26/62/37/975266237.db2.gz GIRSRGOFLKPHSA-KKUMJFAQSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001507160759 975359627 /nfs/dbraw/zinc/35/96/27/975359627.db2.gz FSAXTOCXEBKNHX-HUUCEWRRSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001507350944 975427883 /nfs/dbraw/zinc/42/78/83/975427883.db2.gz QXGALSUZUKOFTM-HIFRSBDPSA-N 2 0 265.401 1.237 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001507419571 975462750 /nfs/dbraw/zinc/46/27/50/975462750.db2.gz VEMJVARPJLJCEQ-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001507443141 975472007 /nfs/dbraw/zinc/47/20/07/975472007.db2.gz MJOCZWOIYXPJJT-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001402940166 976603606 /nfs/dbraw/zinc/60/36/06/976603606.db2.gz IAUIRGMZZGWGHC-UHFFFAOYSA-N 2 0 287.835 1.565 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(C)C)C1 ZINC001675756498 1174145387 /nfs/dbraw/zinc/14/53/87/1174145387.db2.gz RTFTUADVLIELFA-JYJNAYRXSA-N 2 0 291.439 1.224 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001676766692 1174269609 /nfs/dbraw/zinc/26/96/09/1174269609.db2.gz HNGPJCYCWIFUMS-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C(C)(C)C ZINC001677292246 1174344346 /nfs/dbraw/zinc/34/43/46/1174344346.db2.gz YHWIJXNEKCCWQY-OAHLLOKOSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001569914641 1170038001 /nfs/dbraw/zinc/03/80/01/1170038001.db2.gz IERUXVKCECUSJK-HUUCEWRRSA-N 2 0 277.412 1.025 10 30 CDEERP C#CCC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001571386476 1170402247 /nfs/dbraw/zinc/40/22/47/1170402247.db2.gz BJJYGOYWIAGUKF-OAHLLOKOSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001571632973 1170502837 /nfs/dbraw/zinc/50/28/37/1170502837.db2.gz GABIQYJLZWBJHZ-HUUCEWRRSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001656169822 1171781543 /nfs/dbraw/zinc/78/15/43/1171781543.db2.gz GHCIMWPTHLODSI-OKILXGFUSA-N 2 0 267.417 1.389 10 30 CDEERP N#Cc1cnccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000592494263 342696758 /nfs/dbraw/zinc/69/67/58/342696758.db2.gz OIEKELLMSPEWGH-ZIAGYGMSSA-N 2 0 270.380 1.775 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000594427116 342897276 /nfs/dbraw/zinc/89/72/76/342897276.db2.gz SUQUWHPWIJPIKV-KGLIPLIRSA-N 2 0 274.368 1.214 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000594436249 342899209 /nfs/dbraw/zinc/89/92/09/342899209.db2.gz CCMNNNJMARFEHT-AWEZNQCLSA-N 2 0 298.350 1.617 10 30 CDEERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594440969 342907322 /nfs/dbraw/zinc/90/73/22/342907322.db2.gz KFKANCJTINUMHH-ZIAGYGMSSA-N 2 0 282.432 1.490 10 30 CDEERP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600716785 342244360 /nfs/dbraw/zinc/24/43/60/342244360.db2.gz MJJSMGHPZMODKC-BZUAXINKSA-N 2 0 293.455 1.999 10 30 CDEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000594425490 342904389 /nfs/dbraw/zinc/90/43/89/342904389.db2.gz KKAQFIIUXGQYIX-RWMBFGLXSA-N 2 0 266.389 1.031 10 30 CDEERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595935507 343201288 /nfs/dbraw/zinc/20/12/88/343201288.db2.gz DVJIEOGTGQNODT-UONOGXRCSA-N 2 0 294.443 1.634 10 30 CDEERP C[C@@H](C[C@](C)(N)C#N)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000084295075 178847308 /nfs/dbraw/zinc/84/73/08/178847308.db2.gz UCQOJALUBNRQLW-JSGCOSHPSA-N 2 0 252.406 1.280 10 30 CDEERP CO[C@H]1C[C@@H]([NH+](C)CC#CC[N@@H+](C)[C@H]2C[C@@H](OC)C2)C1 ZINC000510092427 367026110 /nfs/dbraw/zinc/02/61/10/367026110.db2.gz RGKSQHDBXAGRGR-RUPPMWDTSA-N 2 0 280.412 1.208 10 30 CDEERP N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000528394105 367822925 /nfs/dbraw/zinc/82/29/25/367822925.db2.gz XNTZKYPEVGDUON-HOTGVXAUSA-N 2 0 291.439 1.849 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001661644920 1172421142 /nfs/dbraw/zinc/42/11/42/1172421142.db2.gz UUFLIEXBLLVVIK-BETUJISGSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001661652632 1172422294 /nfs/dbraw/zinc/42/22/94/1172422294.db2.gz CNMGSYOJJWRDTO-SOUVJXGZSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661734123 1172439312 /nfs/dbraw/zinc/43/93/12/1172439312.db2.gz PGBISPBWOOGOIQ-HNNXBMFYSA-N 2 0 291.439 1.180 10 30 CDEERP C[C@@H](CNCc1nc(C#N)cs1)C[NH+]1CCCC1 ZINC000352854097 374361423 /nfs/dbraw/zinc/36/14/23/374361423.db2.gz PSZKCVOPUXGXEE-NSHDSACASA-N 2 0 264.398 1.836 10 30 CDEERP C=CC[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001663287930 1172668117 /nfs/dbraw/zinc/66/81/17/1172668117.db2.gz DEPDJFBDXSKNIQ-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])C(C)C ZINC000417062911 391341978 /nfs/dbraw/zinc/34/19/78/391341978.db2.gz MTYZXCAPZMZITH-RBSFLKMASA-N 2 0 296.459 1.720 10 30 CDEERP N#Cc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cc1F ZINC000421332482 392930928 /nfs/dbraw/zinc/93/09/28/392930928.db2.gz LYPAFJGJQGHTGI-UHFFFAOYSA-N 2 0 291.370 1.899 10 30 CDEERP C=CC[C@]1(C(=O)NC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662666408 413278595 /nfs/dbraw/zinc/27/85/95/413278595.db2.gz RWDRQSWNTWYFIL-OAHLLOKOSA-N 2 0 265.401 1.285 10 30 CDEERP CC#CC[NH+]1CC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001666829143 1173187108 /nfs/dbraw/zinc/18/71/08/1173187108.db2.gz JSEGFMORCUREQR-UHFFFAOYSA-N 2 0 291.439 1.276 10 30 CDEERP C[C@@H]([NH2+]CC#CC[NH2+][C@@H](C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000341904808 263365192 /nfs/dbraw/zinc/36/51/92/263365192.db2.gz DPBAGNZHFYPFOX-GEEKYZPCSA-N 2 0 280.412 1.019 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001666919429 1173208106 /nfs/dbraw/zinc/20/81/06/1173208106.db2.gz ATBMIZGPYNEEMQ-CQSZACIVSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CCC[NH2+]1 ZINC000662732595 424385319 /nfs/dbraw/zinc/38/53/19/424385319.db2.gz YHZDJTUTPVGZKL-VNHYZAJKSA-N 2 0 265.401 1.284 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC3(CC[NH2+]3)CC2)CCC[NH2+]1 ZINC000662816783 424503574 /nfs/dbraw/zinc/50/35/74/424503574.db2.gz DIXGCQJVLORVAJ-HNNXBMFYSA-N 2 0 263.385 1.039 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H]2CC[N@@H+](CCC)C2)CCC[NH2+]1 ZINC000662910266 424557296 /nfs/dbraw/zinc/55/72/96/424557296.db2.gz MZERZCVLQOBGIZ-ZFWWWQNUSA-N 2 0 265.401 1.285 10 30 CDEERP C=CC[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001669207351 1173516754 /nfs/dbraw/zinc/51/67/54/1173516754.db2.gz LYKDYVWOSNAVIF-FYCOFBDGSA-N 2 0 293.455 1.945 10 30 CDEERP C#CC[NH+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001671648370 1173699672 /nfs/dbraw/zinc/69/96/72/1173699672.db2.gz GSCRVLQRLGBNEE-GDBMZVCRSA-N 2 0 277.412 1.075 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001673928568 1173899887 /nfs/dbraw/zinc/89/98/87/1173899887.db2.gz JFXFQUXVZKIYKJ-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N[C@@H]1CC1(C)C ZINC000262205842 330004037 /nfs/dbraw/zinc/00/40/37/330004037.db2.gz IBVWVXFBRLXODD-ZIAGYGMSSA-N 2 0 296.459 1.307 10 30 CDEERP C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000262427177 330009694 /nfs/dbraw/zinc/00/96/94/330009694.db2.gz CZCACYIHYOONCJ-BFHYXJOUSA-N 2 0 282.432 1.285 10 30 CDEERP C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000262451081 330014038 /nfs/dbraw/zinc/01/40/38/330014038.db2.gz JWLIKZNGKPGPLZ-ZIAGYGMSSA-N 2 0 282.432 1.142 10 30 CDEERP C[C@@H]1CN(C(=[NH2+])NCC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000262485448 330016914 /nfs/dbraw/zinc/01/69/14/330016914.db2.gz SJSXXRAYTUYWDD-CYBMUJFWSA-N 2 0 282.432 1.286 10 30 CDEERP C[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262491139 330017346 /nfs/dbraw/zinc/01/73/46/330017346.db2.gz VAJFBLLSFQVFGG-MCIONIFRSA-N 2 0 282.432 1.142 10 30 CDEERP C[NH+]=C(NC1CCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262764320 330029899 /nfs/dbraw/zinc/02/98/99/330029899.db2.gz FIWICNCWUSFOEH-ZDUSSCGKSA-N 2 0 264.417 1.721 10 30 CDEERP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001267204426 1159175240 /nfs/dbraw/zinc/17/52/40/1159175240.db2.gz BLEUKIGBQRHATD-OAHLLOKOSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001691446955 1159304671 /nfs/dbraw/zinc/30/46/71/1159304671.db2.gz LPQGCJKLNDVFBB-ZNMIVQPWSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+]C[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001698655103 1175887985 /nfs/dbraw/zinc/88/79/85/1175887985.db2.gz ZYVSXFBUWZXHIK-HOCLYGCPSA-N 2 0 279.428 1.224 10 30 CDEERP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001267994582 1159639965 /nfs/dbraw/zinc/63/99/65/1159639965.db2.gz SILXYYUQFNVNJR-JKSUJKDBSA-N 2 0 293.455 1.472 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001699650998 1176548917 /nfs/dbraw/zinc/54/89/17/1176548917.db2.gz INNHISFSYNCDQM-ZDUSSCGKSA-N 2 0 265.401 1.284 10 30 CDEERP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001269138682 1160036234 /nfs/dbraw/zinc/03/62/34/1160036234.db2.gz XDVQOGBAVQMMMF-CQSZACIVSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001270857677 1160168901 /nfs/dbraw/zinc/16/89/01/1160168901.db2.gz LWGQAVSBZZAIRP-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001483498379 1160931017 /nfs/dbraw/zinc/93/10/17/1160931017.db2.gz XQNAMHGUZKSDGE-UHFFFAOYSA-N 2 0 289.423 1.986 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001713666695 1178702442 /nfs/dbraw/zinc/70/24/42/1178702442.db2.gz ZHMMOBBAUHJGIB-GASCZTMLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH2+]C[C@@H](C)N1CCC(C[NH+]2CCCC2)CC1 ZINC000062037267 518288521 /nfs/dbraw/zinc/28/85/21/518288521.db2.gz JPSRXVRHJPGWHK-OAHLLOKOSA-N 2 0 263.429 1.406 10 30 CDEERP COC1CC[NH+](Cc2cccc(C#CC[NH3+])c2)CC1 ZINC000049609086 522705844 /nfs/dbraw/zinc/70/58/44/522705844.db2.gz AHLRUFCBKMVHTC-UHFFFAOYSA-N 2 0 258.365 1.608 10 30 CDEERP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001688935403 1175072874 /nfs/dbraw/zinc/07/28/74/1175072874.db2.gz HAIZEXZISGNWSM-IHRRRGAJSA-N 2 0 267.417 1.243 10 30 CDEERP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001689346085 1175148626 /nfs/dbraw/zinc/14/86/26/1175148626.db2.gz WCOXEOVWYDOWGS-JKSUJKDBSA-N 2 0 293.455 1.970 10 30 CDEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001690183506 1175396393 /nfs/dbraw/zinc/39/63/93/1175396393.db2.gz ANVYOBHQNXWYLL-HZPDHXFCSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001690197140 1175401330 /nfs/dbraw/zinc/40/13/30/1175401330.db2.gz HJISORNWMGNNKS-HNNXBMFYSA-N 2 0 279.428 1.132 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000900683524 623369049 /nfs/dbraw/zinc/36/90/49/623369049.db2.gz BCNMJXPKVQECIC-AWEZNQCLSA-N 2 0 269.433 1.587 10 30 CDEERP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(C#N)ccn1 ZINC000902897854 625556967 /nfs/dbraw/zinc/55/69/67/625556967.db2.gz VUUOEJRJOZZHHY-GFCCVEGCSA-N 2 0 256.353 1.866 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000900859255 623575487 /nfs/dbraw/zinc/57/54/87/623575487.db2.gz FXIUSKLUPMNJES-GOOCMWNKSA-N 2 0 279.428 1.626 10 30 CDEERP C[C@]1(CN2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]C1 ZINC000903987749 626174769 /nfs/dbraw/zinc/17/47/69/626174769.db2.gz IHNZTVIOZZOTRF-WBVHZDCISA-N 2 0 299.422 1.829 10 30 CDEERP N#Cc1ccc(N[C@@H]2CCC[N@@H+](CCC[NH3+])C2)nc1 ZINC000903988810 626175365 /nfs/dbraw/zinc/17/53/65/626175365.db2.gz XUVBNOKPRLOLQL-CYBMUJFWSA-N 2 0 259.357 1.178 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000908256868 628082857 /nfs/dbraw/zinc/08/28/57/628082857.db2.gz IXLUDXAANSAPSO-ZDUSSCGKSA-N 2 0 255.406 1.339 10 30 CDEERP COCC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000912509627 630049662 /nfs/dbraw/zinc/04/96/62/630049662.db2.gz MCLQAPUKMWUJJA-LBPRGKRZSA-N 2 0 270.421 1.061 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000912683989 630142936 /nfs/dbraw/zinc/14/29/36/630142936.db2.gz PYZDTVHLAPXXKA-ZDUSSCGKSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC ZINC001670586950 1158653410 /nfs/dbraw/zinc/65/34/10/1158653410.db2.gz CTDDSFFMZIHSAG-HUUCEWRRSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001724860723 1158840006 /nfs/dbraw/zinc/84/00/06/1158840006.db2.gz QGDPVQHNPDMKQE-UHFFFAOYSA-N 2 0 293.455 1.666 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001266820315 1158861682 /nfs/dbraw/zinc/86/16/82/1158861682.db2.gz LMXWSLRFVNRIKN-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001724943246 1158885510 /nfs/dbraw/zinc/88/55/10/1158885510.db2.gz DGVNOAOGSASPDB-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001691230759 1158967657 /nfs/dbraw/zinc/96/76/57/1158967657.db2.gz OXLBNKBCIJNSMR-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001283261729 1158980232 /nfs/dbraw/zinc/98/02/32/1158980232.db2.gz SBUHDVLKPJDLIK-GJZGRUSLSA-N 2 0 279.428 1.226 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001725084779 1159022855 /nfs/dbraw/zinc/02/28/55/1159022855.db2.gz CONSDXWGIJHRPN-STQMWFEESA-N 2 0 267.417 1.530 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001266979262 1159039740 /nfs/dbraw/zinc/03/97/40/1159039740.db2.gz BEHZUIGZDVKFMQ-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]21 ZINC001699021129 1159206598 /nfs/dbraw/zinc/20/65/98/1159206598.db2.gz RASBNIJXZNEJSP-GJZGRUSLSA-N 2 0 279.428 1.435 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001567144965 1168595168 /nfs/dbraw/zinc/59/51/68/1168595168.db2.gz GRMAWBFFOVLYIO-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001568073817 1169132687 /nfs/dbraw/zinc/13/26/87/1169132687.db2.gz UPVLXSJSFCTQRV-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C#CCC[NH2+]CCN(CC)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568781650 1169473039 /nfs/dbraw/zinc/47/30/39/1169473039.db2.gz JZEKVBVEIGPAJN-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001569498074 1169887148 /nfs/dbraw/zinc/88/71/48/1169887148.db2.gz ALUIYVJVUPOMGL-UHFFFAOYSA-N 2 0 253.390 1.047 10 30 CDEERP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001570653245 1170224292 /nfs/dbraw/zinc/22/42/92/1170224292.db2.gz OSZQCALZRWXDIV-QWHCGFSZSA-N 2 0 255.406 1.386 10 30 CDEERP C#CC[NH2+][C@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001656903021 1171896144 /nfs/dbraw/zinc/89/61/44/1171896144.db2.gz BTHXFMUEGRYWDJ-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP CC#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001662010917 1172477893 /nfs/dbraw/zinc/47/78/93/1172477893.db2.gz NSSAULDFXDLJPF-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001664806665 1172915245 /nfs/dbraw/zinc/91/52/45/1172915245.db2.gz ISOCDQAOBFTYCL-GOEBONIOSA-N 2 0 291.439 1.295 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668066835 1173365328 /nfs/dbraw/zinc/36/53/28/1173365328.db2.gz ZHDZFIILIINGHD-MGPQQGTHSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001673650964 1173874826 /nfs/dbraw/zinc/87/48/26/1173874826.db2.gz POZAFJBCQAQDTH-QGZVFWFLSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001674480107 1173951465 /nfs/dbraw/zinc/95/14/65/1173951465.db2.gz BZHATIMQRHNRJJ-JYJNAYRXSA-N 2 0 293.455 1.826 10 30 CDEERP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001690595817 1175516367 /nfs/dbraw/zinc/51/63/67/1175516367.db2.gz GNYRMWBNBDGDTE-GJZGRUSLSA-N 2 0 279.428 1.224 10 30 CDEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001690622868 1175526916 /nfs/dbraw/zinc/52/69/16/1175526916.db2.gz AIEDESKJFALBMK-OLZOCXBDSA-N 2 0 255.406 1.387 10 30 CDEERP C#CCC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001691978987 1175661621 /nfs/dbraw/zinc/66/16/21/1175661621.db2.gz BWNHUAWVCLIFDQ-JKSUJKDBSA-N 2 0 291.439 1.132 10 30 CDEERP C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001698594083 1175862575 /nfs/dbraw/zinc/86/25/75/1175862575.db2.gz FJZBWBLRBURAIQ-CHWSQXEVSA-N 2 0 253.390 1.141 10 30 CDEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001698668757 1175891298 /nfs/dbraw/zinc/89/12/98/1175891298.db2.gz UBZCOQCILNHITN-CVEARBPZSA-N 2 0 291.439 1.322 10 30 CDEERP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001698703259 1175898922 /nfs/dbraw/zinc/89/89/22/1175898922.db2.gz XEGXLJQBMNSQQQ-MRXNPFEDSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001698861595 1175967115 /nfs/dbraw/zinc/96/71/15/1175967115.db2.gz QQRCOYXHUGQKHF-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001698879733 1175976269 /nfs/dbraw/zinc/97/62/69/1175976269.db2.gz QKAZOOFOHWAMDR-GJZGRUSLSA-N 2 0 279.428 1.082 10 30 CDEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001698983774 1176008860 /nfs/dbraw/zinc/00/88/60/1176008860.db2.gz NTCTZGNUIUSLCU-CYBMUJFWSA-N 2 0 253.390 1.047 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001699034360 1176052518 /nfs/dbraw/zinc/05/25/18/1176052518.db2.gz MHXDNKGCAIPUHJ-ZIAGYGMSSA-N 2 0 277.412 1.143 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001699065615 1176065772 /nfs/dbraw/zinc/06/57/72/1176065772.db2.gz QRYLWXKNZGSYHY-LSDHHAIUSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001699145799 1176111452 /nfs/dbraw/zinc/11/14/52/1176111452.db2.gz CFTUWEPBHXISRZ-GFCCVEGCSA-N 2 0 285.819 1.319 10 30 CDEERP C=CCCC[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001699280902 1176194647 /nfs/dbraw/zinc/19/46/47/1176194647.db2.gz IDVXTVAYGOOQFQ-WAYWQWQTSA-N 2 0 291.439 1.843 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCCCC)CC1 ZINC001699433571 1176394141 /nfs/dbraw/zinc/39/41/41/1176394141.db2.gz UVHYWVQKNOGYKM-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001699602516 1176495203 /nfs/dbraw/zinc/49/52/03/1176495203.db2.gz MFBWUILTMDVQAB-HZPDHXFCSA-N 2 0 293.455 1.777 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001699650722 1176548715 /nfs/dbraw/zinc/54/87/15/1176548715.db2.gz DTLSJISNZSVBNU-UHFFFAOYSA-N 2 0 279.428 1.675 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001699667258 1176561284 /nfs/dbraw/zinc/56/12/84/1176561284.db2.gz ITBFEWZHTTVADQ-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001699761844 1176611761 /nfs/dbraw/zinc/61/17/61/1176611761.db2.gz LMUKWYJPNNKDHR-LSDHHAIUSA-N 2 0 281.444 1.729 10 30 CDEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001699855007 1176657617 /nfs/dbraw/zinc/65/76/17/1176657617.db2.gz YGAYZZRRIQICGA-GDBMZVCRSA-N 2 0 279.428 1.034 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001700139303 1176767240 /nfs/dbraw/zinc/76/72/40/1176767240.db2.gz WTPAFTGCUUTITH-HUUCEWRRSA-N 2 0 289.423 1.265 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001700180980 1176784726 /nfs/dbraw/zinc/78/47/26/1176784726.db2.gz MGEWOWADXHNESQ-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]CCC)CC1 ZINC001700689795 1177077869 /nfs/dbraw/zinc/07/78/69/1177077869.db2.gz NXZNTWNNSCILDW-OAHLLOKOSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001700840453 1177161236 /nfs/dbraw/zinc/16/12/36/1177161236.db2.gz IFHXICBIJICYIE-DZGCQCFKSA-N 2 0 279.428 1.483 10 30 CDEERP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001707137971 1177957503 /nfs/dbraw/zinc/95/75/03/1177957503.db2.gz GDRBPMDHGPBKJP-HOTGVXAUSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001712969443 1178275999 /nfs/dbraw/zinc/27/59/99/1178275999.db2.gz BDJMWVSJDOIRJH-UHFFFAOYSA-N 2 0 281.444 1.733 10 30 CDEERP C#CCC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001713012563 1178304666 /nfs/dbraw/zinc/30/46/66/1178304666.db2.gz PWGKXHFKFYIYGR-INIZCTEOSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713208024 1178432481 /nfs/dbraw/zinc/43/24/81/1178432481.db2.gz YQZDDHMDUJIZAO-MCIONIFRSA-N 2 0 265.401 1.141 10 30 CDEERP C=CCC[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001713290537 1178469871 /nfs/dbraw/zinc/46/98/71/1178469871.db2.gz IWSZOZBEACRYAD-UHFFFAOYSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001713408301 1178542918 /nfs/dbraw/zinc/54/29/18/1178542918.db2.gz KXELHPRMGJDVHP-SOUVJXGZSA-N 2 0 281.444 1.777 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713536122 1178633315 /nfs/dbraw/zinc/63/33/15/1178633315.db2.gz RAQSCPXIAVFOFN-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713541869 1178634882 /nfs/dbraw/zinc/63/48/82/1178634882.db2.gz OJVGFLCJBONDPC-HOTGVXAUSA-N 2 0 291.439 1.178 10 30 CDEERP C=CC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001713558394 1178646217 /nfs/dbraw/zinc/64/62/17/1178646217.db2.gz ILGPMZQICZISET-JKSUJKDBSA-N 2 0 291.439 1.770 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001713950687 1178881602 /nfs/dbraw/zinc/88/16/02/1178881602.db2.gz BDQDYSJTNTVHJM-JOCQHMNTSA-N 2 0 262.357 1.155 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001714004272 1178923752 /nfs/dbraw/zinc/92/37/52/1178923752.db2.gz IAGANZHQFONOFP-GASCZTMLSA-N 2 0 279.428 1.531 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001714049813 1178945939 /nfs/dbraw/zinc/94/59/39/1178945939.db2.gz LDRDKFWNHLFGPJ-CABCVRRESA-N 2 0 281.444 1.826 10 30 CDEERP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001714111478 1178978137 /nfs/dbraw/zinc/97/81/37/1178978137.db2.gz ZKVOJHWCHSARSO-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+]CC1(NC(=O)C[N@@H+](C)C2CCC2)CCCC1 ZINC001714136301 1178988438 /nfs/dbraw/zinc/98/84/38/1178988438.db2.gz VSTXEDQPGKLJFM-UHFFFAOYSA-N 2 0 279.428 1.675 10 30 CDEERP C#CC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@H]1C ZINC001714184631 1179006700 /nfs/dbraw/zinc/00/67/00/1179006700.db2.gz BGHKCILAQYEYNE-NVXWUHKLSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001714198650 1179011778 /nfs/dbraw/zinc/01/17/78/1179011778.db2.gz WICNDPHWJYJIMY-UHFFFAOYSA-N 2 0 293.455 1.759 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001714248068 1179044078 /nfs/dbraw/zinc/04/40/78/1179044078.db2.gz BOTCYYVYVQWKQJ-LBPRGKRZSA-N 2 0 286.379 1.927 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001714412863 1179128887 /nfs/dbraw/zinc/12/88/87/1179128887.db2.gz SUXJGNHGONKNBC-CABCVRRESA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH+](C)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001714571717 1179225459 /nfs/dbraw/zinc/22/54/59/1179225459.db2.gz GWCHTAKINAHVLJ-OKILXGFUSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001714617406 1179270823 /nfs/dbraw/zinc/27/08/23/1179270823.db2.gz HNSSETZXKSKKKC-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001714901228 1179443682 /nfs/dbraw/zinc/44/36/82/1179443682.db2.gz YBZQEYQSALCBED-XHSDSOJGSA-N 2 0 291.439 1.130 10 30 CDEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001715215341 1179579837 /nfs/dbraw/zinc/57/98/37/1179579837.db2.gz NDNVIMYDQXITDN-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001715727391 1179780882 /nfs/dbraw/zinc/78/08/82/1179780882.db2.gz HAHHUOCPTQSNTR-LSDHHAIUSA-N 2 0 281.444 1.635 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]C[C@@H](C)CC)CC1 ZINC001715963285 1179944978 /nfs/dbraw/zinc/94/49/78/1179944978.db2.gz XHLLTWAPLSZJBE-LSDHHAIUSA-N 2 0 293.455 1.472 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001716062252 1180026906 /nfs/dbraw/zinc/02/69/06/1180026906.db2.gz DSJGAAKTPNYQQL-GDBMZVCRSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001716062070 1180027969 /nfs/dbraw/zinc/02/79/69/1180027969.db2.gz SAMOAUZZZQKDMU-UONOGXRCSA-N 2 0 279.428 1.531 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001716144485 1180071057 /nfs/dbraw/zinc/07/10/57/1180071057.db2.gz DUIZDUPAIKADQK-GJZGRUSLSA-N 2 0 279.428 1.369 10 30 CDEERP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001716296970 1180146470 /nfs/dbraw/zinc/14/64/70/1180146470.db2.gz SRLBBGUYYZVCTH-MHKRFPNSSA-N 2 0 279.428 1.555 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001716700490 1180377044 /nfs/dbraw/zinc/37/70/44/1180377044.db2.gz FIDQZTWUEQJVMT-UHFFFAOYSA-N 2 0 279.428 1.677 10 30 CDEERP C=C(C)C[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001716799267 1180419432 /nfs/dbraw/zinc/41/94/32/1180419432.db2.gz BJKFBVILAZZQFA-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001717293608 1180607803 /nfs/dbraw/zinc/60/78/03/1180607803.db2.gz OWYRZGGCPRPGDR-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001723595295 1181590802 /nfs/dbraw/zinc/59/08/02/1181590802.db2.gz NUMWKJSEULUIDD-UHFFFAOYSA-N 2 0 253.390 1.141 10 30 CDEERP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001724175246 1181648352 /nfs/dbraw/zinc/64/83/52/1181648352.db2.gz WLCJNKYEWGEDBR-HNNXBMFYSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001724184817 1181649932 /nfs/dbraw/zinc/64/99/32/1181649932.db2.gz VUYFMQLTQXTEKO-AWEZNQCLSA-N 2 0 253.390 1.095 10 30 CDEERP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001724335441 1181665224 /nfs/dbraw/zinc/66/52/24/1181665224.db2.gz ZROQCSYEDCVBQT-INIZCTEOSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001725137828 1181880412 /nfs/dbraw/zinc/88/04/12/1181880412.db2.gz WJVIKUMUXVDNAK-QQFBHYJXSA-N 2 0 291.439 1.321 10 30 CDEERP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001725167797 1181900757 /nfs/dbraw/zinc/90/07/57/1181900757.db2.gz ZTJKFLSRBBSMCB-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001725189337 1181915719 /nfs/dbraw/zinc/91/57/19/1181915719.db2.gz JKDKLUHSOUVLPT-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001725239550 1181932153 /nfs/dbraw/zinc/93/21/53/1181932153.db2.gz FXLNDPUMODUXOH-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001725360063 1181972966 /nfs/dbraw/zinc/97/29/66/1181972966.db2.gz LDJLUHYNOLDUHN-JOCQHMNTSA-N 2 0 265.401 1.141 10 30 CDEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001725463484 1182009434 /nfs/dbraw/zinc/00/94/34/1182009434.db2.gz FWSGJFWPHTUHQC-MRXNPFEDSA-N 2 0 291.439 1.178 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001725497142 1182025010 /nfs/dbraw/zinc/02/50/10/1182025010.db2.gz VPXMJDGEUOUUPD-GJZGRUSLSA-N 2 0 279.428 1.177 10 30 CDEERP C#CCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001731271754 1182288420 /nfs/dbraw/zinc/28/84/20/1182288420.db2.gz UFFRFVXTMIQWRV-CVEARBPZSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC[C@@H](C)F)CC1 ZINC001731988077 1182716055 /nfs/dbraw/zinc/71/60/55/1182716055.db2.gz TUSYYZFIQMFQSP-CQSZACIVSA-N 2 0 297.418 1.128 10 30 CDEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001732025970 1182728571 /nfs/dbraw/zinc/72/85/71/1182728571.db2.gz FSWFUVGCDZFVGL-JKSUJKDBSA-N 2 0 287.407 1.571 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001732059159 1182745366 /nfs/dbraw/zinc/74/53/66/1182745366.db2.gz MHSNCFCNQYDCCE-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001732127288 1182790042 /nfs/dbraw/zinc/79/00/42/1182790042.db2.gz VGJQPTAFQAXQIG-UHFFFAOYSA-N 2 0 279.428 1.485 10 30 CDEERP C#CC[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@H+]2C)CCCC1 ZINC001732230472 1182871645 /nfs/dbraw/zinc/87/16/45/1182871645.db2.gz FCPIAZZHBMDCGA-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001733182853 1183320996 /nfs/dbraw/zinc/32/09/96/1183320996.db2.gz AWGKDVCOUFMXHR-GOEBONIOSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001733265227 1183377238 /nfs/dbraw/zinc/37/72/38/1183377238.db2.gz PMJRERJYDBTUMZ-OAHLLOKOSA-N 2 0 291.439 1.369 10 30 CDEERP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CC)CC1 ZINC001733372425 1183411636 /nfs/dbraw/zinc/41/16/36/1183411636.db2.gz MQOPIYYKTTUWPP-UHFFFAOYSA-N 2 0 291.439 1.274 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001733534203 1183458698 /nfs/dbraw/zinc/45/86/98/1183458698.db2.gz CFIYVTDUAUVBKZ-ZBFHGGJFSA-N 2 0 291.439 1.178 10 30 CDEERP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001734094190 1183654914 /nfs/dbraw/zinc/65/49/14/1183654914.db2.gz GMBRBTOPHDUPOS-CABCVRRESA-N 2 0 279.428 1.369 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001734117126 1183665657 /nfs/dbraw/zinc/66/56/57/1183665657.db2.gz MNKKYFYCIYLJAU-CYBMUJFWSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001734404593 1183764436 /nfs/dbraw/zinc/76/44/36/1183764436.db2.gz BCFUFBVAUSIPEI-LSDHHAIUSA-N 2 0 281.444 1.872 10 30 CDEERP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001734421505 1183773655 /nfs/dbraw/zinc/77/36/55/1183773655.db2.gz GYVNIFJDQNLPPU-GDBMZVCRSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923504231 711956573 /nfs/dbraw/zinc/95/65/73/711956573.db2.gz VMADBJCXANEHHD-HUUCEWRRSA-N 2 0 293.455 1.779 10 30 CDEERP CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CC[C@@](C)(CC)C1 ZINC000261775852 712075958 /nfs/dbraw/zinc/07/59/58/712075958.db2.gz OOQOTMBBAXNDQQ-GDBMZVCRSA-N 2 0 296.459 1.405 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000876869094 712267782 /nfs/dbraw/zinc/26/77/82/712267782.db2.gz PYMOTIJOOYYHID-UPJWGTAASA-N 2 0 285.819 1.304 10 30 CDEERP CC(C)[NH+]1CCC(N(C)C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852856838 712360527 /nfs/dbraw/zinc/36/05/27/712360527.db2.gz HDHMCXKIIXKSFO-UHFFFAOYSA-N 2 0 291.439 1.321 10 30 CDEERP C[C@H](COC(=O)[C@H]1CC2CC[N+]1(C)CC2)[N+](C)(C)C ZINC000005751466 717101114 /nfs/dbraw/zinc/10/11/14/717101114.db2.gz RBRODONAZYQAJP-SMOJQAGNSA-N 2 0 270.417 1.253 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC001623415149 1165770951 /nfs/dbraw/zinc/77/09/51/1165770951.db2.gz LLOSIPCJCOQRTI-INIZCTEOSA-N 2 0 289.423 1.393 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000876775101 1165913243 /nfs/dbraw/zinc/91/32/43/1165913243.db2.gz OIBSKEMTDZDXAV-NEPJUHHUSA-N 2 0 273.808 1.257 10 30 CDEERP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001641720033 1167131618 /nfs/dbraw/zinc/13/16/18/1167131618.db2.gz NYUZTMRZAMQUIF-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001381432457 976823061 /nfs/dbraw/zinc/82/30/61/976823061.db2.gz GKQVOXFWNTUPDZ-VXGBXAGGSA-N 2 0 275.824 1.564 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001566682056 1168383976 /nfs/dbraw/zinc/38/39/76/1168383976.db2.gz NLTFTQRHRYLRQS-HNNXBMFYSA-N 2 0 277.412 1.076 10 30 CDEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001566811326 1168430034 /nfs/dbraw/zinc/43/00/34/1168430034.db2.gz QMWXDMWWBRPYIA-HDJSIYSDSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001272456960 913143675 /nfs/dbraw/zinc/14/36/75/913143675.db2.gz LSUPFCVNWHWIPW-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001567416467 1168743233 /nfs/dbraw/zinc/74/32/33/1168743233.db2.gz SHCFVMHJOIMASS-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP CC#CC[NH2+][C@@H](CNC(=O)C[C@H](C)n1ccnc1)C1CC1 ZINC001266431112 894844099 /nfs/dbraw/zinc/84/40/99/894844099.db2.gz KHFOIZJGAPHGDM-ZFWWWQNUSA-N 2 0 288.395 1.342 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267022394 896580382 /nfs/dbraw/zinc/58/03/82/896580382.db2.gz HTFYDEPSYNWBEJ-CABCVRRESA-N 2 0 291.439 1.627 10 30 CDEERP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267277049 897445708 /nfs/dbraw/zinc/44/57/08/897445708.db2.gz YDRDIZLSJNFOFH-ZIAGYGMSSA-N 2 0 267.417 1.339 10 30 CDEERP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001267301678 897520433 /nfs/dbraw/zinc/52/04/33/897520433.db2.gz DHRVZKSNPAWZBO-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]CCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001267408590 897875716 /nfs/dbraw/zinc/87/57/16/897875716.db2.gz JGCYZRBJXIRCLN-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH+]1CC[C@H](CCNC(=O)CC[N@@H+](C)CCC)C1 ZINC001267595013 898643082 /nfs/dbraw/zinc/64/30/82/898643082.db2.gz OQGPLLUCVHEHQL-INIZCTEOSA-N 2 0 293.455 1.570 10 30 CDEERP C=CCCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001481194094 899105420 /nfs/dbraw/zinc/10/54/20/899105420.db2.gz CAABNAVGUXEQKV-UHFFFAOYSA-N 2 0 291.439 1.629 10 30 CDEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001279328933 902038081 /nfs/dbraw/zinc/03/80/81/902038081.db2.gz MZCRZDFNHFLSLZ-UYSNPLJNSA-N 2 0 291.439 1.463 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001481982800 902431724 /nfs/dbraw/zinc/43/17/24/902431724.db2.gz OBKVWEDZWBFMGW-OAHLLOKOSA-N 2 0 281.444 1.733 10 30 CDEERP C#CC[NH+]1CCC(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001482043253 902538280 /nfs/dbraw/zinc/53/82/80/902538280.db2.gz QENZXDCHUUSSCZ-UHFFFAOYSA-N 2 0 291.439 1.322 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001482057447 902569573 /nfs/dbraw/zinc/56/95/73/902569573.db2.gz FYOXGKIBVNYTOD-HUUCEWRRSA-N 2 0 277.412 1.075 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001268595807 902735265 /nfs/dbraw/zinc/73/52/65/902735265.db2.gz JXSZUHPXCPEEBC-SNAWJCMRSA-N 2 0 279.428 1.556 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268706802 902991977 /nfs/dbraw/zinc/99/19/77/902991977.db2.gz VBJJXOSBLPRBQY-LSDHHAIUSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001269454726 903822276 /nfs/dbraw/zinc/82/22/76/903822276.db2.gz QDHPOYBDWICDRX-LSDHHAIUSA-N 2 0 281.444 1.779 10 30 CDEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001269489087 903854435 /nfs/dbraw/zinc/85/44/35/903854435.db2.gz GSSVGAGZLTUPKG-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001269522931 903889368 /nfs/dbraw/zinc/88/93/68/903889368.db2.gz WDLKNTNIEIUCPJ-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001269607154 903976457 /nfs/dbraw/zinc/97/64/57/903976457.db2.gz WBYLUQHCQWGBKD-RDJZCZTQSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001269708875 904053268 /nfs/dbraw/zinc/05/32/68/904053268.db2.gz KRUGFUPQSNVUDS-UHFFFAOYSA-N 2 0 279.428 1.439 10 30 CDEERP C#CCC[NH+]1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567842699 1169012327 /nfs/dbraw/zinc/01/23/27/1169012327.db2.gz QLALBMKBLJFECD-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[NH+]1CC[C@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001270624347 904833225 /nfs/dbraw/zinc/83/32/25/904833225.db2.gz OZMHEDRFRKNTNR-HOCLYGCPSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCC[N@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001270632630 904862659 /nfs/dbraw/zinc/86/26/59/904862659.db2.gz LYQIOOZXVNVENK-KRWDZBQOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001271577157 906525354 /nfs/dbraw/zinc/52/53/54/906525354.db2.gz RIFNTHOWZNZFOF-HZPDHXFCSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001271676582 906589057 /nfs/dbraw/zinc/58/90/57/906589057.db2.gz JADCJSPRCKKTSC-JKSUJKDBSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567925902 1169075755 /nfs/dbraw/zinc/07/57/55/1169075755.db2.gz VRAIBGSPIHVSGN-OAHLLOKOSA-N 2 0 291.439 1.581 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001482928293 908498532 /nfs/dbraw/zinc/49/85/32/908498532.db2.gz QVTIQBVZHOBIHZ-HNNXBMFYSA-N 2 0 279.428 1.322 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)CC[NH+]1CCCCC1 ZINC001567991122 1169110737 /nfs/dbraw/zinc/11/07/37/1169110737.db2.gz WGFBABCDJJOZFO-OAHLLOKOSA-N 2 0 279.428 1.370 10 30 CDEERP CCC[N@H+](CC)CCNC(=[NH2+])NC1CCCCC1 ZINC000083052971 910019588 /nfs/dbraw/zinc/01/95/88/910019588.db2.gz CGMUOTRPIQJELZ-UHFFFAOYSA-N 2 0 254.422 1.955 10 30 CDEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001483296659 910809130 /nfs/dbraw/zinc/80/91/30/910809130.db2.gz NGFSCJCXNFGQTN-ZDUSSCGKSA-N 2 0 255.406 1.387 10 30 CDEERP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001507322362 911069862 /nfs/dbraw/zinc/06/98/62/911069862.db2.gz SHXRMGYUJWMFBP-ZIAGYGMSSA-N 2 0 279.428 1.483 10 30 CDEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484123991 915450107 /nfs/dbraw/zinc/45/01/07/915450107.db2.gz VVFNXKASILPYIM-RDJZCZTQSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001484660542 916007900 /nfs/dbraw/zinc/00/79/00/916007900.db2.gz IPSRKNCHCVNDDA-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001484663104 916010924 /nfs/dbraw/zinc/01/09/24/916010924.db2.gz HRRPUGLWUFVXLC-KBPBESRZSA-N 2 0 277.412 1.121 10 30 CDEERP C=CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001484727201 916086734 /nfs/dbraw/zinc/08/67/34/916086734.db2.gz PYVJQDRNWQADDV-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+]C1(C)CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001484928550 916271262 /nfs/dbraw/zinc/27/12/62/916271262.db2.gz APPYAIKPTATLBP-UHFFFAOYSA-N 2 0 288.395 1.255 10 30 CDEERP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001484941643 916298992 /nfs/dbraw/zinc/29/89/92/916298992.db2.gz JKGHPZMXIRYETF-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001568207545 1169178380 /nfs/dbraw/zinc/17/83/80/1169178380.db2.gz BXBVEQRRXNLLMK-HOTGVXAUSA-N 2 0 293.455 1.472 10 30 CDEERP C=CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001485582835 917106999 /nfs/dbraw/zinc/10/69/99/917106999.db2.gz URPUWHAHJDBJKA-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001485704970 917186748 /nfs/dbraw/zinc/18/67/48/917186748.db2.gz HQQKICNKVDHALB-WKILWMFISA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001272826260 919850264 /nfs/dbraw/zinc/85/02/64/919850264.db2.gz QPZWTEODNZBLGO-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001485961923 920632078 /nfs/dbraw/zinc/63/20/78/920632078.db2.gz VCUGUMMMUPMWHV-CYBMUJFWSA-N 2 0 255.406 1.339 10 30 CDEERP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001486087690 920687498 /nfs/dbraw/zinc/68/74/98/920687498.db2.gz ARASSUNCPUJZQS-KGLIPLIRSA-N 2 0 279.428 1.177 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001491455721 936919241 /nfs/dbraw/zinc/91/92/41/936919241.db2.gz IXHIQPYXYAJMIA-GJZGRUSLSA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001568417429 1169278975 /nfs/dbraw/zinc/27/89/75/1169278975.db2.gz XOIPFOLXISQRQY-HZPDHXFCSA-N 2 0 293.455 1.567 10 30 CDEERP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001490309716 927110228 /nfs/dbraw/zinc/11/02/28/927110228.db2.gz MUTZXESPYYUTDM-HZPDHXFCSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001274368693 931494544 /nfs/dbraw/zinc/49/45/44/931494544.db2.gz UAOQLMRCPSZPMC-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H](CC)[NH+](C)C ZINC001274511159 931505483 /nfs/dbraw/zinc/50/54/83/931505483.db2.gz OFYFLRRDLWMGRJ-MEJMFZKBSA-N 2 0 253.390 1.165 10 30 CDEERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(C#N)ccc1F ZINC000925815687 932942146 /nfs/dbraw/zinc/94/21/46/932942146.db2.gz YMRCNFYHWQUENK-CYBMUJFWSA-N 2 0 265.332 1.541 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001277195017 942162398 /nfs/dbraw/zinc/16/23/98/942162398.db2.gz JXGHCJUDRYMQKM-LSDHHAIUSA-N 2 0 289.423 1.265 10 30 CDEERP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001282890164 942767252 /nfs/dbraw/zinc/76/72/52/942767252.db2.gz WKXXYDZOFYSCPF-LVQVYYBASA-N 2 0 293.455 1.443 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283611338 942946841 /nfs/dbraw/zinc/94/68/41/942946841.db2.gz AECOZKFVUPEMAG-RRFJBIMHSA-N 2 0 281.444 1.729 10 30 CDEERP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001284031668 943056057 /nfs/dbraw/zinc/05/60/57/943056057.db2.gz LBBSPCDPLVIZDV-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C#CC[NH2+][C@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CC1(C)C ZINC001284326492 943149187 /nfs/dbraw/zinc/14/91/87/943149187.db2.gz XQLHXUUOHXAUEA-GJZGRUSLSA-N 2 0 293.455 1.567 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]CCC12CCC2 ZINC001263181932 943778115 /nfs/dbraw/zinc/77/81/15/943778115.db2.gz ASYCCDRGWOAGIJ-ZDUSSCGKSA-N 2 0 265.401 1.415 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1CC ZINC001264623444 944154313 /nfs/dbraw/zinc/15/43/13/944154313.db2.gz AHOCCDBVCHVZCY-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C#CC[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001265073215 944220997 /nfs/dbraw/zinc/22/09/97/944220997.db2.gz UGQYTBXHTTUQRB-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001277969197 944266422 /nfs/dbraw/zinc/26/64/22/944266422.db2.gz PRFDNYNNYRNGNC-OAHLLOKOSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001265628349 944451600 /nfs/dbraw/zinc/45/16/00/944451600.db2.gz VDGVLFSLRUQZQM-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C=C(C)C[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001265739482 944484730 /nfs/dbraw/zinc/48/47/30/944484730.db2.gz NCEPORVMSBAOBK-UHFFFAOYSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+]C1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001265740883 944485939 /nfs/dbraw/zinc/48/59/39/944485939.db2.gz UCZBEEJHDVTXFA-NRXISQOPSA-N 2 0 279.428 1.367 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001265786440 944508431 /nfs/dbraw/zinc/50/84/31/944508431.db2.gz NIJFVSWMGQQBRM-ZIAGYGMSSA-N 2 0 267.417 1.531 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265928521 944578598 /nfs/dbraw/zinc/57/85/98/944578598.db2.gz FYKRCIXXVLYHHO-ZBFHGGJFSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[N@H+](CC)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266101107 944680717 /nfs/dbraw/zinc/68/07/17/944680717.db2.gz TYKGQJGLVNUNCS-CQSZACIVSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001266189518 944743705 /nfs/dbraw/zinc/74/37/05/944743705.db2.gz HAHFCVAIBGSFJW-UHFFFAOYSA-N 2 0 279.428 1.437 10 30 CDEERP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)Cc2ccccc2)C1 ZINC001479347244 971304806 /nfs/dbraw/zinc/30/48/06/971304806.db2.gz QRQIRDFIUQEILC-CALCHBBNSA-N 2 0 299.418 1.236 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001278900241 948153519 /nfs/dbraw/zinc/15/35/19/948153519.db2.gz SDZLPNWSYWUSTG-HNNXBMFYSA-N 2 0 279.428 1.273 10 30 CDEERP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001479972361 971518681 /nfs/dbraw/zinc/51/86/81/971518681.db2.gz GVLFGRNUTOOVEU-HNNXBMFYSA-N 2 0 279.428 1.629 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480121856 971585193 /nfs/dbraw/zinc/58/51/93/971585193.db2.gz BMSRVLHZAYLFHV-HOTGVXAUSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+][C@@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001480537858 971773675 /nfs/dbraw/zinc/77/36/75/971773675.db2.gz QWMXEVTYOIWTMM-AWEZNQCLSA-N 2 0 289.423 1.685 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480660303 971828066 /nfs/dbraw/zinc/82/80/66/971828066.db2.gz XDTSNMDASDSFML-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001324974919 953664024 /nfs/dbraw/zinc/66/40/24/953664024.db2.gz CGAAHCPGRRKFOU-QGZVFWFLSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001493357989 972030707 /nfs/dbraw/zinc/03/07/07/972030707.db2.gz VMDFWLGZZXPIDG-HNNXBMFYSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[NH2+][C@@H](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001328377151 955278487 /nfs/dbraw/zinc/27/84/87/955278487.db2.gz YNBZBINLQOMKFK-HNNXBMFYSA-N 2 0 293.455 1.616 10 30 CDEERP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001329877540 956158305 /nfs/dbraw/zinc/15/83/05/956158305.db2.gz WULKRPDCDGRJQD-KGLIPLIRSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH+]1CC[C@@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001494073132 972172331 /nfs/dbraw/zinc/17/23/31/972172331.db2.gz ICIGLPOPXVQSMY-HZPDHXFCSA-N 2 0 291.439 1.180 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001317539889 956842014 /nfs/dbraw/zinc/84/20/14/956842014.db2.gz ADEWEITZAKPDBJ-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001366469093 956854234 /nfs/dbraw/zinc/85/42/34/956854234.db2.gz DEOBFSFKJWVNSP-STQMWFEESA-N 2 0 287.835 1.708 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001316875393 956865755 /nfs/dbraw/zinc/86/57/55/956865755.db2.gz AAOOOWLYCSYHGR-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001331345611 956982721 /nfs/dbraw/zinc/98/27/21/956982721.db2.gz GHJFTXLMHKUVFY-CABCVRRESA-N 2 0 281.444 1.585 10 30 CDEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001316773557 957007995 /nfs/dbraw/zinc/00/79/95/957007995.db2.gz WNQKVFXDXFZTKI-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001331458706 957076444 /nfs/dbraw/zinc/07/64/44/957076444.db2.gz LWOLNPYJVBZTAE-LSDHHAIUSA-N 2 0 281.444 1.873 10 30 CDEERP C=CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316979960 957175839 /nfs/dbraw/zinc/17/58/39/957175839.db2.gz FYBURIQYZUFRIU-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001316990130 957188464 /nfs/dbraw/zinc/18/84/64/957188464.db2.gz FFIFLMHDHGVGBL-CQSZACIVSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001317052056 957225683 /nfs/dbraw/zinc/22/56/83/957225683.db2.gz SGJCJXCPNSIJPA-GASCZTMLSA-N 2 0 279.428 1.580 10 30 CDEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CCCn2ccnc2)[C@H]1C ZINC001331943569 957351236 /nfs/dbraw/zinc/35/12/36/957351236.db2.gz JGRYORDOQWTUGL-LSDHHAIUSA-N 2 0 290.411 1.818 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317336353 957427798 /nfs/dbraw/zinc/42/77/98/957427798.db2.gz INKUFCGWUYBKCW-INIZCTEOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[C@@H](C)[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317491119 957509089 /nfs/dbraw/zinc/50/90/89/957509089.db2.gz PXMGITHBZAWNSH-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@@H+](CCCNC(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001317709484 957644077 /nfs/dbraw/zinc/64/40/77/957644077.db2.gz PFGCMMCKEHPRMJ-HNNXBMFYSA-N 2 0 281.444 1.567 10 30 CDEERP C=CCC[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317810838 957674372 /nfs/dbraw/zinc/67/43/72/957674372.db2.gz GHUWBFNTMNMTAJ-HNNXBMFYSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001318155161 957947469 /nfs/dbraw/zinc/94/74/69/957947469.db2.gz PHHTWXGEVNKLQX-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001318292693 958020631 /nfs/dbraw/zinc/02/06/31/958020631.db2.gz SSJFKKOENGOKHD-STQMWFEESA-N 2 0 253.390 1.093 10 30 CDEERP C=CCOCC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001494877694 972328428 /nfs/dbraw/zinc/32/84/28/972328428.db2.gz XBUONYPMWXJPMZ-HNNXBMFYSA-N 2 0 297.443 1.062 10 30 CDEERP C=CC[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001494875788 972328535 /nfs/dbraw/zinc/32/85/35/972328535.db2.gz KGQKXQAJTQDAEV-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001319594974 958646863 /nfs/dbraw/zinc/64/68/63/958646863.db2.gz XUSGAYFHKACERH-GJZGRUSLSA-N 2 0 281.444 1.873 10 30 CDEERP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001321336071 959728562 /nfs/dbraw/zinc/72/85/62/959728562.db2.gz JIWCZDHREBAPDS-JTUDCUDASA-N 2 0 291.439 1.392 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C/C=C/Cl)CC1 ZINC001322086725 960079157 /nfs/dbraw/zinc/07/91/57/960079157.db2.gz BJWOTLMFQWPHSU-LVDDQXARSA-N 2 0 297.830 1.178 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001323566916 960826413 /nfs/dbraw/zinc/82/64/13/960826413.db2.gz LRTFXCXZSWTKCI-HUUCEWRRSA-N 2 0 291.439 1.818 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001324176273 961215356 /nfs/dbraw/zinc/21/53/56/961215356.db2.gz SNPFDCAFDNOASU-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001419207812 961504150 /nfs/dbraw/zinc/50/41/50/961504150.db2.gz GIWYARNTJKAHPB-QWHCGFSZSA-N 2 0 287.835 1.708 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001437313955 962798632 /nfs/dbraw/zinc/79/86/32/962798632.db2.gz LTHBHIPHWJFTCN-KBPBESRZSA-N 2 0 299.846 1.519 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC001341407783 963403342 /nfs/dbraw/zinc/40/33/42/963403342.db2.gz RXJDAFAOVNRGMA-AWEZNQCLSA-N 2 0 281.444 1.894 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC001342017229 963611567 /nfs/dbraw/zinc/61/15/67/963611567.db2.gz ZANOEXHPBYCGCH-CHWSQXEVSA-N 2 0 265.401 1.461 10 30 CDEERP C=CCCC[C@@H]([NH3+])C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342951568 963870723 /nfs/dbraw/zinc/87/07/23/963870723.db2.gz QDBSQYUBCLCGCO-BZPMIXESSA-N 2 0 251.374 1.071 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC001544078246 967335126 /nfs/dbraw/zinc/33/51/26/967335126.db2.gz DPVQKLDJQQTRFM-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP C#CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001496097568 972793458 /nfs/dbraw/zinc/79/34/58/972793458.db2.gz HXMLCMCPJNVLOA-LBPRGKRZSA-N 2 0 284.363 1.326 10 30 CDEERP C=C(Cl)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001496626113 972998904 /nfs/dbraw/zinc/99/89/04/972998904.db2.gz DLVBBBSAIWOFRX-CYBMUJFWSA-N 2 0 299.846 1.565 10 30 CDEERP C=C(C)C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001497675748 973461442 /nfs/dbraw/zinc/46/14/42/973461442.db2.gz SUSWDFQYGPPPQD-PLNGDYQASA-N 2 0 265.401 1.166 10 30 CDEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001498042446 973644049 /nfs/dbraw/zinc/64/40/49/973644049.db2.gz PPFFQYTZYCXEQW-STQMWFEESA-N 2 0 287.835 1.706 10 30 CDEERP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001498659541 974015516 /nfs/dbraw/zinc/01/55/16/974015516.db2.gz ZPAXTTUCLJTILR-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001501579151 974602622 /nfs/dbraw/zinc/60/26/22/974602622.db2.gz YQQJKNZCFNBVTK-OAHLLOKOSA-N 2 0 293.455 1.875 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001376337985 974634221 /nfs/dbraw/zinc/63/42/21/974634221.db2.gz CSFNXDXNHIZXTF-KGLIPLIRSA-N 2 0 299.846 1.661 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001502393981 974732674 /nfs/dbraw/zinc/73/26/74/974732674.db2.gz KBCOXAINPKQDGC-KRWDZBQOSA-N 2 0 291.439 1.276 10 30 CDEERP C#CC[NH2+]C1(CC)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001502513681 974746050 /nfs/dbraw/zinc/74/60/50/974746050.db2.gz VMQCBWNENOIKPP-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001505450004 974883767 /nfs/dbraw/zinc/88/37/67/974883767.db2.gz SXXJIKDOHKAIID-MRXNPFEDSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001505455776 974885146 /nfs/dbraw/zinc/88/51/46/974885146.db2.gz HWPWIUVSKDHZQV-AWEZNQCLSA-N 2 0 277.412 1.191 10 30 CDEERP C#CCC[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001506666467 975199109 /nfs/dbraw/zinc/19/91/09/975199109.db2.gz QAJRLBPQUAMEJZ-CQSZACIVSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001507418734 975462742 /nfs/dbraw/zinc/46/27/42/975462742.db2.gz JCJUQXXXVLZWAE-HOTGVXAUSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001508083398 975600878 /nfs/dbraw/zinc/60/08/78/975600878.db2.gz UOJWZVJJGSUKBA-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001674157004 1173919707 /nfs/dbraw/zinc/91/97/07/1173919707.db2.gz YQEFRQYHJLXYAF-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001570118740 1170085537 /nfs/dbraw/zinc/08/55/37/1170085537.db2.gz HAUMDTYNVLJZLL-CQSZACIVSA-N 2 0 279.428 1.533 10 30 CDEERP C#CCC[N@@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001570215757 1170113663 /nfs/dbraw/zinc/11/36/63/1170113663.db2.gz MNSJXBMRCLKVIB-OAHLLOKOSA-N 2 0 279.428 1.132 10 30 CDEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001570748366 1170268127 /nfs/dbraw/zinc/26/81/27/1170268127.db2.gz YKKUYFVKKQBTFX-ZDUSSCGKSA-N 2 0 255.406 1.341 10 30 CDEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001570849596 1170299809 /nfs/dbraw/zinc/29/98/09/1170299809.db2.gz KFXCTIKWLVCSGU-CQSZACIVSA-N 2 0 293.455 1.873 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001571488711 1170437999 /nfs/dbraw/zinc/43/79/99/1170437999.db2.gz GZNDVTSYJBYOGY-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001571488708 1170452341 /nfs/dbraw/zinc/45/23/41/1170452341.db2.gz GYXYSGDRHHZICP-HZPDHXFCSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001656097932 1171766664 /nfs/dbraw/zinc/76/66/64/1171766664.db2.gz OFRCBFMSBCUCQU-INIZCTEOSA-N 2 0 293.455 1.827 10 30 CDEERP N#CCCCC[C@@H]([NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000594438259 342906309 /nfs/dbraw/zinc/90/63/09/342906309.db2.gz SAXDOTPCWFQYPJ-YMAMQOFZSA-N 2 0 292.427 1.531 10 30 CDEERP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C[NH+]1CCCC1 ZINC000594441681 342907372 /nfs/dbraw/zinc/90/73/72/342907372.db2.gz URVRITFLLVAQAK-UONOGXRCSA-N 2 0 280.416 1.246 10 30 CDEERP CC[NH+](CC)CCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600712836 342243877 /nfs/dbraw/zinc/24/38/77/342243877.db2.gz AYKUVRRKIXDOEI-ZDUSSCGKSA-N 2 0 253.390 1.363 10 30 CDEERP C[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)C[NH+]1CCCCC1 ZINC000600722221 342244804 /nfs/dbraw/zinc/24/48/04/342244804.db2.gz ZNFYRMLLODPDHJ-LSDHHAIUSA-N 2 0 279.428 1.753 10 30 CDEERP N#CC1(C[C@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000600736321 342246464 /nfs/dbraw/zinc/24/64/64/342246464.db2.gz ORKBBVLGQQWSOW-AWEZNQCLSA-N 2 0 270.336 1.479 10 30 CDEERP N#CC1(C[C@@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000600744216 342247135 /nfs/dbraw/zinc/24/71/35/342247135.db2.gz LJCJNIOOHMPDGI-MRXNPFEDSA-N 2 0 291.439 1.753 10 30 CDEERP C=CCNC(=O)[C@H](C)[NH+]1CCC(C[NH2+]C(C)C)CC1 ZINC000104407519 185991008 /nfs/dbraw/zinc/99/10/08/185991008.db2.gz NKVHNBNNWMKAGR-ZDUSSCGKSA-N 2 0 267.417 1.387 10 30 CDEERP COC[C@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@@H]1COC ZINC000671241960 541978865 /nfs/dbraw/zinc/97/88/65/541978865.db2.gz VMKTXMFDSKPEKU-HZPDHXFCSA-N 2 0 280.412 1.211 10 30 CDEERP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCn2ccnc21 ZINC000328598633 375918697 /nfs/dbraw/zinc/91/86/97/375918697.db2.gz BHOPYQYUFPUEET-CHWSQXEVSA-N 2 0 291.399 1.358 10 30 CDEERP N#Cc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)o1 ZINC000174273714 379432801 /nfs/dbraw/zinc/43/28/01/379432801.db2.gz GYJOPTJIOWXWRA-UHFFFAOYSA-N 2 0 263.341 1.353 10 30 CDEERP C=CC[C@@]1(C(=O)NCC2([NH3+])CCCCC2)CCC[NH2+]1 ZINC000662392995 412955419 /nfs/dbraw/zinc/95/54/19/412955419.db2.gz KYXCBVKJCNMYEA-HNNXBMFYSA-N 2 0 265.401 1.463 10 30 CDEERP CC#CC[N@H+](CCC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001663683811 1172746364 /nfs/dbraw/zinc/74/63/64/1172746364.db2.gz HDHRJPURKDHULK-OAHLLOKOSA-N 2 0 279.428 1.180 10 30 CDEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+]CC/C=C\CC ZINC001663989471 1172798194 /nfs/dbraw/zinc/79/81/94/1172798194.db2.gz SXELDPQMUXOUBA-WLMCBFPDSA-N 2 0 291.439 1.488 10 30 CDEERP C=C(C)C[NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001664377235 1172847942 /nfs/dbraw/zinc/84/79/42/1172847942.db2.gz BDWJPPIDODAERT-UHFFFAOYSA-N 2 0 281.444 1.877 10 30 CDEERP C=CC[C@]1(C(=O)N[C@@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000662703171 413346945 /nfs/dbraw/zinc/34/69/45/413346945.db2.gz QBNZLLYNDXDPMS-GXTWGEPZSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000662703174 413349725 /nfs/dbraw/zinc/34/97/25/413349725.db2.gz QBNZLLYNDXDPMS-OCCSQVGLSA-N 2 0 253.390 1.141 10 30 CDEERP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000662701843 413349843 /nfs/dbraw/zinc/34/98/43/413349843.db2.gz VNJPVQYCQBZGPW-RDJZCZTQSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020365696 171164101 /nfs/dbraw/zinc/16/41/01/171164101.db2.gz FRFVPEKBGCSEBL-KGLIPLIRSA-N 2 0 267.417 1.224 10 30 CDEERP C=CC[C@]1(C(=O)NCC2CC[NH+](C3CC3)CC2)CCC[NH2+]1 ZINC000662810020 413529984 /nfs/dbraw/zinc/52/99/84/413529984.db2.gz LWYXLURKMDDXOT-QGZVFWFLSA-N 2 0 291.439 1.675 10 30 CDEERP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001665731943 1173047138 /nfs/dbraw/zinc/04/71/38/1173047138.db2.gz PEWVKTROKSLHPV-CVEARBPZSA-N 2 0 293.455 1.663 10 30 CDEERP CC(C)C[N@H+](CC(N)=O)Cc1cc(C#CC[NH3+])cs1 ZINC000043689123 175096326 /nfs/dbraw/zinc/09/63/26/175096326.db2.gz MOISMNCRKRXAMQ-UHFFFAOYSA-N 2 0 279.409 1.002 10 30 CDEERP C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C#CC[NH3+])c2)C1 ZINC000044560316 175204007 /nfs/dbraw/zinc/20/40/07/175204007.db2.gz IIAMSBGXTOQVFP-OAHLLOKOSA-N 2 0 285.391 1.068 10 30 CDEERP C#CC(CC)(CC)NC(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000071141125 176039360 /nfs/dbraw/zinc/03/93/60/176039360.db2.gz QEVYGWPICQZCPD-UHFFFAOYSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CCC=C)CC1 ZINC001666673539 1173169928 /nfs/dbraw/zinc/16/99/28/1173169928.db2.gz QCICTIYXGMOEJK-OAHLLOKOSA-N 2 0 291.439 1.250 10 30 CDEERP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249855913 261258872 /nfs/dbraw/zinc/25/88/72/261258872.db2.gz DDBMWWNWCPSALE-MCIONIFRSA-N 2 0 282.432 1.190 10 30 CDEERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCSCC1 ZINC000130839100 264369846 /nfs/dbraw/zinc/36/98/46/264369846.db2.gz HWVJLLNAZYRYQC-CYBMUJFWSA-N 2 0 284.473 1.470 10 30 CDEERP C=CC[C@@]1(C(=O)NCCC[NH2+]C(C)C)CCC[NH2+]1 ZINC000662409590 424056774 /nfs/dbraw/zinc/05/67/74/424056774.db2.gz CGPALDQQNORKMO-AWEZNQCLSA-N 2 0 253.390 1.189 10 30 CDEERP C=CC[C@@]1(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)CCC[NH2+]1 ZINC000662823536 424508190 /nfs/dbraw/zinc/50/81/90/424508190.db2.gz SXDWWAYABDJIAB-CJNGLKHVSA-N 2 0 277.412 1.476 10 30 CDEERP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001667634029 1173299944 /nfs/dbraw/zinc/29/99/44/1173299944.db2.gz FCNQXLMWDVVZKV-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP C#CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001669599017 1173574312 /nfs/dbraw/zinc/57/43/12/1173574312.db2.gz CWGMOOPBHRNWJO-AWEZNQCLSA-N 2 0 293.455 1.757 10 30 CDEERP C#CCC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001672327407 1173766413 /nfs/dbraw/zinc/76/64/13/1173766413.db2.gz ICFIICQWMCPVHF-CVEARBPZSA-N 2 0 293.455 1.426 10 30 CDEERP C[NH+]=C(N[C@H]1CC1(C)C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262739713 330029006 /nfs/dbraw/zinc/02/90/06/330029006.db2.gz DJAHCOHYINNEOP-OCCSQVGLSA-N 2 0 278.444 1.967 10 30 CDEERP CC[NH+](CC)[C@@H]1CCN(C(NC[C@@H]2CCC[C@@H]2O)=[NH+]C)C1 ZINC000262796182 330032027 /nfs/dbraw/zinc/03/20/27/330032027.db2.gz POMGLBGZVIDFSG-ZNMIVQPWSA-N 2 0 296.459 1.139 10 30 CDEERP N#C[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000442721924 330780750 /nfs/dbraw/zinc/78/07/50/330780750.db2.gz WLJRQEVOBLRENX-UONOGXRCSA-N 2 0 251.374 1.381 10 30 CDEERP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001725506105 1159248780 /nfs/dbraw/zinc/24/87/80/1159248780.db2.gz SRADDAGUZNFXCF-HUUCEWRRSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001731508562 1159298713 /nfs/dbraw/zinc/29/87/13/1159298713.db2.gz OHJLRCZUUSIKTQ-AWEZNQCLSA-N 2 0 267.417 1.342 10 30 CDEERP C=CC[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001481781759 1159945567 /nfs/dbraw/zinc/94/55/67/1159945567.db2.gz HLHDRRDQBPBHCJ-INIZCTEOSA-N 2 0 293.455 1.971 10 30 CDEERP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001481857317 1159951235 /nfs/dbraw/zinc/95/12/35/1159951235.db2.gz UUZJLAAUWGGONN-JKSUJKDBSA-N 2 0 293.455 1.757 10 30 CDEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482331145 1160155275 /nfs/dbraw/zinc/15/52/75/1160155275.db2.gz OCGXZCIINCBVOX-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001670808085 1160171268 /nfs/dbraw/zinc/17/12/68/1160171268.db2.gz VDLLKRHRYZCHOS-HUUCEWRRSA-N 2 0 291.439 1.818 10 30 CDEERP C=CC[C@]1(C(=O)N2CC[C@H]([NH+](CC)CC)C2)CCC[NH2+]1 ZINC000662672498 482418475 /nfs/dbraw/zinc/41/84/75/482418475.db2.gz BXDJLHAWWBQAGD-GOEBONIOSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485945685 1161446966 /nfs/dbraw/zinc/44/69/66/1161446966.db2.gz YURLWEJZMQKUJU-LSDHHAIUSA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001691670129 1161485587 /nfs/dbraw/zinc/48/55/87/1161485587.db2.gz IGVVLMFFXORJEZ-HZPDHXFCSA-N 2 0 293.455 1.827 10 30 CDEERP C=CC[N@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713530678 1178629335 /nfs/dbraw/zinc/62/93/35/1178629335.db2.gz KHFXGDZOCCTQAY-CYBMUJFWSA-N 2 0 265.401 1.095 10 30 CDEERP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715520701 1179697705 /nfs/dbraw/zinc/69/77/05/1179697705.db2.gz NJCZRTXYOLOMBJ-HUUCEWRRSA-N 2 0 281.444 1.683 10 30 CDEERP CC#CC[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001717945985 1180940171 /nfs/dbraw/zinc/94/01/71/1180940171.db2.gz LQYBCSOZIMFRQS-OAHLLOKOSA-N 2 0 279.428 1.273 10 30 CDEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001725147012 1181882200 /nfs/dbraw/zinc/88/22/00/1181882200.db2.gz LTDSIFDWZUVLNS-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725517564 1182032537 /nfs/dbraw/zinc/03/25/37/1182032537.db2.gz HJIQRLOESNGOMF-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[NH+](CC=C)C[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052376689 518771451 /nfs/dbraw/zinc/77/14/51/518771451.db2.gz DDBMDALRNRJBJC-CABCVRRESA-N 2 0 250.386 1.960 10 30 CDEERP COC[C@H](C)[N@H+](C)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609586 522596586 /nfs/dbraw/zinc/59/65/86/522596586.db2.gz PRZIWLVFYNNIKS-LBPRGKRZSA-N 2 0 264.344 1.603 10 30 CDEERP COCC[NH+](CCOC)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609868 523718261 /nfs/dbraw/zinc/71/82/61/523718261.db2.gz ZWFGCPSVHNQCHG-UHFFFAOYSA-N 2 0 294.370 1.231 10 30 CDEERP C[N@@H+]1CCCN(Cc2ccc(F)c(C#CC[NH3+])c2)CC1 ZINC000049608764 523810254 /nfs/dbraw/zinc/81/02/54/523810254.db2.gz PHQFTSTXPYJBRQ-UHFFFAOYSA-N 2 0 275.371 1.273 10 30 CDEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCC[C@H]2CCCO)c(F)c1 ZINC000052763114 527148236 /nfs/dbraw/zinc/14/82/36/527148236.db2.gz MQYBCDHZYJUZIU-INIZCTEOSA-N 2 0 290.382 1.873 10 30 CDEERP [NH3+]CC#Cc1ccccc1OCCC[NH+]1CCCC1 ZINC000049334054 527155312 /nfs/dbraw/zinc/15/53/12/527155312.db2.gz KWAYJBZSHUNQKC-UHFFFAOYSA-N 2 0 258.365 1.862 10 30 CDEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001688916687 1175067290 /nfs/dbraw/zinc/06/72/90/1175067290.db2.gz PDMFCTZTGSZRSS-SOUVJXGZSA-N 2 0 279.428 1.389 10 30 CDEERP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001689056013 1175089317 /nfs/dbraw/zinc/08/93/17/1175089317.db2.gz ORGDXWGQWSUDRJ-CVEARBPZSA-N 2 0 293.455 1.568 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001690199071 1175402822 /nfs/dbraw/zinc/40/28/22/1175402822.db2.gz JAFRSNMIPZXVGV-HZPDHXFCSA-N 2 0 293.455 1.685 10 30 CDEERP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218423 613027111 /nfs/dbraw/zinc/02/71/11/613027111.db2.gz XMMOHERNOUZBQS-CABCVRRESA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941217300 613335732 /nfs/dbraw/zinc/33/57/32/613335732.db2.gz MGBSUOMEOYNDIL-GJZGRUSLSA-N 2 0 293.455 1.731 10 30 CDEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939063794 613351135 /nfs/dbraw/zinc/35/11/35/613351135.db2.gz MBKLIGJLLTXVNC-HIFRSBDPSA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218754 613746842 /nfs/dbraw/zinc/74/68/42/613746842.db2.gz YYVXXHGXGUPCHO-UONOGXRCSA-N 2 0 279.428 1.341 10 30 CDEERP C=C(C)COCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925619515 617565314 /nfs/dbraw/zinc/56/53/14/617565314.db2.gz OLTKVCRYAOCJNA-RDBSUJKOSA-N 2 0 252.402 1.945 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000901024982 623818092 /nfs/dbraw/zinc/81/80/92/623818092.db2.gz YIMIPBXEVZAETI-HNNXBMFYSA-N 2 0 281.444 1.588 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000907746459 627827919 /nfs/dbraw/zinc/82/79/19/627827919.db2.gz NCRWKPSRFIHBPA-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000913761518 630746595 /nfs/dbraw/zinc/74/65/95/630746595.db2.gz PIJGVUKVUMCVCN-CQSZACIVSA-N 2 0 267.417 1.293 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC[C@@H](C)F)CC1 ZINC001772517052 1158551150 /nfs/dbraw/zinc/55/11/50/1158551150.db2.gz OBSSDCFJWOYINK-KGLIPLIRSA-N 2 0 297.418 1.174 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001266994324 1159072942 /nfs/dbraw/zinc/07/29/42/1159072942.db2.gz LEHISLAXPLZHFX-LSDHHAIUSA-N 2 0 281.444 1.921 10 30 CDEERP C=CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268062913 1159767469 /nfs/dbraw/zinc/76/74/69/1159767469.db2.gz IRZCWZGONRQHKW-AWEZNQCLSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001732359331 1159784626 /nfs/dbraw/zinc/78/46/26/1159784626.db2.gz BMKWEKZWUBZDRW-ZIAGYGMSSA-N 2 0 267.417 1.246 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC2CC2)CC1 ZINC001482902979 1160643305 /nfs/dbraw/zinc/64/33/05/1160643305.db2.gz VVIMDMJNYDOJBI-CQSZACIVSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000876728248 1165902594 /nfs/dbraw/zinc/90/25/94/1165902594.db2.gz ZAUMIELEDJPYBU-SRVKXCTJSA-N 2 0 271.792 1.199 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001565834866 1168177605 /nfs/dbraw/zinc/17/76/05/1168177605.db2.gz CLHBBSLPVJNCFE-MRXNPFEDSA-N 2 0 293.455 1.971 10 30 CDEERP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001568430976 1169285461 /nfs/dbraw/zinc/28/54/61/1169285461.db2.gz CKWKJOYYHYZRPP-HZPDHXFCSA-N 2 0 293.455 1.568 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001569401850 1169860003 /nfs/dbraw/zinc/86/00/03/1169860003.db2.gz HRLVSKYZRFMMDJ-ZDUSSCGKSA-N 2 0 265.401 1.285 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001569613443 1169936935 /nfs/dbraw/zinc/93/69/35/1169936935.db2.gz FUGUNTGQOKNWAR-MRXNPFEDSA-N 2 0 291.439 1.370 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)CC=C)CC1 ZINC001570218260 1170114625 /nfs/dbraw/zinc/11/46/25/1170114625.db2.gz QHRNRKSFWZMDLN-UHFFFAOYSA-N 2 0 291.439 1.298 10 30 CDEERP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001571503792 1170457275 /nfs/dbraw/zinc/45/72/75/1170457275.db2.gz WCKVDZJOFDYGBT-DZKIICNBSA-N 2 0 279.428 1.626 10 30 CDEERP C#CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1CC ZINC001656752635 1171870758 /nfs/dbraw/zinc/87/07/58/1171870758.db2.gz MOTCQBOXBWPABF-JKSUJKDBSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001664370076 1172845938 /nfs/dbraw/zinc/84/59/38/1172845938.db2.gz WNVAWGXANNXZSI-UONOGXRCSA-N 2 0 267.417 1.341 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001664829367 1172916325 /nfs/dbraw/zinc/91/63/25/1172916325.db2.gz BNNVPBBIFSINGB-CQSZACIVSA-N 2 0 267.417 1.295 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001665866861 1173075807 /nfs/dbraw/zinc/07/58/07/1173075807.db2.gz LRENAWUZERDXBW-OAHLLOKOSA-N 2 0 279.428 1.226 10 30 CDEERP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001666673174 1173169691 /nfs/dbraw/zinc/16/96/91/1173169691.db2.gz NKTRHJXYEBKDHU-LSDHHAIUSA-N 2 0 279.428 1.082 10 30 CDEERP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001690169275 1175393287 /nfs/dbraw/zinc/39/32/87/1175393287.db2.gz XGWMZQIAVHAHQB-AWEZNQCLSA-N 2 0 279.428 1.082 10 30 CDEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001690407381 1175465211 /nfs/dbraw/zinc/46/52/11/1175465211.db2.gz JIHWBTQAWPTELC-HZPDHXFCSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001690609837 1175520239 /nfs/dbraw/zinc/52/02/39/1175520239.db2.gz AZAKYHUGVJBXLU-GFCCVEGCSA-N 2 0 253.390 1.141 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001690632270 1175530032 /nfs/dbraw/zinc/53/00/32/1175530032.db2.gz UWSICSPIBPAORG-CYBMUJFWSA-N 2 0 273.380 1.089 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001692195478 1175698785 /nfs/dbraw/zinc/69/87/85/1175698785.db2.gz LCVVPRLUQRVTCY-CJNGLKHVSA-N 2 0 291.439 1.483 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001692312777 1175733972 /nfs/dbraw/zinc/73/39/72/1175733972.db2.gz ZZWWHOSLADEFPD-ZIAGYGMSSA-N 2 0 288.395 1.527 10 30 CDEERP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CCC ZINC001692382682 1175755743 /nfs/dbraw/zinc/75/57/43/1175755743.db2.gz YOAREKNWACVRGO-GJZGRUSLSA-N 2 0 279.428 1.580 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)C[N@H+](C)C2CCC2)CCCC1 ZINC001698629967 1175880336 /nfs/dbraw/zinc/88/03/36/1175880336.db2.gz HRMCMASCCJKRKJ-UHFFFAOYSA-N 2 0 291.439 1.513 10 30 CDEERP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001698996854 1176025715 /nfs/dbraw/zinc/02/57/15/1176025715.db2.gz FOMJPBPZPRNIEF-MRXNPFEDSA-N 2 0 293.455 1.663 10 30 CDEERP C=CC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699383819 1176342601 /nfs/dbraw/zinc/34/26/01/1176342601.db2.gz XSWCVOXJHRMMHQ-CYBMUJFWSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001699482728 1176439848 /nfs/dbraw/zinc/43/98/48/1176439848.db2.gz FINBLSCJNHVAKC-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001699959038 1176698281 /nfs/dbraw/zinc/69/82/81/1176698281.db2.gz ZIUDZTVCSYDWNO-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001700317823 1176847026 /nfs/dbraw/zinc/84/70/26/1176847026.db2.gz MLJIJHXFZUWIIM-GJZGRUSLSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001700376597 1176882748 /nfs/dbraw/zinc/88/27/48/1176882748.db2.gz QNAONGSAZACSOW-UHFFFAOYSA-N 2 0 293.455 1.921 10 30 CDEERP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001700407944 1176910577 /nfs/dbraw/zinc/91/05/77/1176910577.db2.gz GCAVHOJVGCECLG-CABCVRRESA-N 2 0 293.455 1.615 10 30 CDEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001700638550 1177050025 /nfs/dbraw/zinc/05/00/25/1177050025.db2.gz FRGQROAVMLWQDZ-JYJNAYRXSA-N 2 0 293.455 1.921 10 30 CDEERP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001700752693 1177113675 /nfs/dbraw/zinc/11/36/75/1177113675.db2.gz PTAXOOOYIJUCJE-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001700777372 1177127997 /nfs/dbraw/zinc/12/79/97/1177127997.db2.gz KMYZMDIQSWBEJZ-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C#CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001700890558 1177181698 /nfs/dbraw/zinc/18/16/98/1177181698.db2.gz WTQFUOWHBZZRSM-CABCVRRESA-N 2 0 279.428 1.321 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001700901288 1177188833 /nfs/dbraw/zinc/18/88/33/1177188833.db2.gz KNSJYLOLEQEUDS-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001707053080 1177929338 /nfs/dbraw/zinc/92/93/38/1177929338.db2.gz HGVUMEIAGZNMGM-INIZCTEOSA-N 2 0 291.439 1.274 10 30 CDEERP C#CCC[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001707381755 1178006208 /nfs/dbraw/zinc/00/62/08/1178006208.db2.gz GZCJHXZISQGGKZ-OAHLLOKOSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713510501 1178616952 /nfs/dbraw/zinc/61/69/52/1178616952.db2.gz AXGDZTYHKZLGLT-AWEZNQCLSA-N 2 0 279.428 1.627 10 30 CDEERP C#CC[N@H+](CCC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001713547571 1178637724 /nfs/dbraw/zinc/63/77/24/1178637724.db2.gz BNECHULKXVTBGY-UHFFFAOYSA-N 2 0 277.412 1.076 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001713644413 1178693560 /nfs/dbraw/zinc/69/35/60/1178693560.db2.gz BUHLYGRNQNVFDY-UHFFFAOYSA-N 2 0 273.380 1.043 10 30 CDEERP C#CC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713667820 1178702435 /nfs/dbraw/zinc/70/24/35/1178702435.db2.gz PBMXBXWYNMRKRL-HNNXBMFYSA-N 2 0 279.428 1.178 10 30 CDEERP CC#CC[N@H+](CCCNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001713689329 1178710665 /nfs/dbraw/zinc/71/06/65/1178710665.db2.gz BVONDSYOTILMTL-INIZCTEOSA-N 2 0 295.471 1.813 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713737318 1178730682 /nfs/dbraw/zinc/73/06/82/1178730682.db2.gz CSFMPUGULNDYSA-CVEARBPZSA-N 2 0 295.471 1.977 10 30 CDEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001714014807 1178928500 /nfs/dbraw/zinc/92/85/00/1178928500.db2.gz ZMNHCGWGKKDRNE-CQSZACIVSA-N 2 0 267.417 1.437 10 30 CDEERP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001714021119 1178930552 /nfs/dbraw/zinc/93/05/52/1178930552.db2.gz BDFJLNLFFMVDRR-OKILXGFUSA-N 2 0 265.401 1.285 10 30 CDEERP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001714053275 1178948101 /nfs/dbraw/zinc/94/81/01/1178948101.db2.gz JLKPYARLVSNHCM-HNNXBMFYSA-N 2 0 277.412 1.028 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714362389 1179105370 /nfs/dbraw/zinc/10/53/70/1179105370.db2.gz USTZQKARQWRBJZ-HNNXBMFYSA-N 2 0 293.455 1.733 10 30 CDEERP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001714519396 1179179266 /nfs/dbraw/zinc/17/92/66/1179179266.db2.gz CSPBZGVKGPAAJW-JKSUJKDBSA-N 2 0 291.439 1.465 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CCC[NH+](C)C ZINC001714524316 1179180376 /nfs/dbraw/zinc/18/03/76/1179180376.db2.gz HLPDZHWIVIZBGV-MRXNPFEDSA-N 2 0 293.455 1.712 10 30 CDEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714610940 1179264781 /nfs/dbraw/zinc/26/47/81/1179264781.db2.gz VBQZEWMZVHBNRV-DZGCQCFKSA-N 2 0 279.428 1.341 10 30 CDEERP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001714876920 1179434234 /nfs/dbraw/zinc/43/42/34/1179434234.db2.gz ORAVBOGJLXCTPJ-LSDHHAIUSA-N 2 0 281.444 1.587 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001714879957 1179435023 /nfs/dbraw/zinc/43/50/23/1179435023.db2.gz KSHODJAQNDXBIT-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001714905600 1179446983 /nfs/dbraw/zinc/44/69/83/1179446983.db2.gz PGBUKMXIPGQIHM-HNNXBMFYSA-N 2 0 291.439 1.439 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001714947972 1179470975 /nfs/dbraw/zinc/47/09/75/1179470975.db2.gz OROHDBLPFJLLOE-CQSZACIVSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001715066790 1179536856 /nfs/dbraw/zinc/53/68/56/1179536856.db2.gz YCOIZTVVZDSPHM-GDBMZVCRSA-N 2 0 291.439 1.511 10 30 CDEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CCc1c[nH]cn1 ZINC001715186086 1179571848 /nfs/dbraw/zinc/57/18/48/1179571848.db2.gz JRUGIZBEJBFSGP-OAHLLOKOSA-N 2 0 288.395 1.336 10 30 CDEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001715422907 1179662984 /nfs/dbraw/zinc/66/29/84/1179662984.db2.gz VOQWNXSIDWYACX-KGLIPLIRSA-N 2 0 267.417 1.339 10 30 CDEERP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001715761355 1179794025 /nfs/dbraw/zinc/79/40/25/1179794025.db2.gz HHCQPRBZTHGFRP-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001715836755 1179858751 /nfs/dbraw/zinc/85/87/51/1179858751.db2.gz ZNRHGCCUKPPDQS-SWJNODNISA-N 2 0 291.439 1.841 10 30 CDEERP C#CC[N@@H+](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001716025298 1179999934 /nfs/dbraw/zinc/99/99/34/1179999934.db2.gz VWUBRJVGLXYAKG-GFCCVEGCSA-N 2 0 293.436 1.493 10 30 CDEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716295176 1180146658 /nfs/dbraw/zinc/14/66/58/1180146658.db2.gz KDJNCDMOFBIURV-CWDCEQMOSA-N 2 0 291.439 1.556 10 30 CDEERP C#CC[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001716799312 1180419506 /nfs/dbraw/zinc/41/95/06/1180419506.db2.gz CWXGYLQFPWSOBM-UHFFFAOYSA-N 2 0 279.428 1.322 10 30 CDEERP C=CC[NH2+]C1(CC)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001717240224 1180587252 /nfs/dbraw/zinc/58/72/52/1180587252.db2.gz OGORCYABJSXHMU-UHFFFAOYSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001717300998 1180610100 /nfs/dbraw/zinc/61/01/00/1180610100.db2.gz ZYXFZXZCEDFFPY-UHFFFAOYSA-N 2 0 293.455 1.875 10 30 CDEERP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001717415635 1180660826 /nfs/dbraw/zinc/66/08/26/1180660826.db2.gz LVDXQYNFYSMAJY-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001717434101 1180670235 /nfs/dbraw/zinc/67/02/35/1180670235.db2.gz BJJLJIOTSBGEAI-UONOGXRCSA-N 2 0 267.417 1.224 10 30 CDEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001723812753 1181605571 /nfs/dbraw/zinc/60/55/71/1181605571.db2.gz IDDMMKHHPMRDOK-CQSZACIVSA-N 2 0 281.444 1.826 10 30 CDEERP CC#CC[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001725259264 1181943388 /nfs/dbraw/zinc/94/33/88/1181943388.db2.gz ZXKCIEBHRCQZEN-GOEBONIOSA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001725407845 1181991422 /nfs/dbraw/zinc/99/14/22/1181991422.db2.gz WFQHENWUBYJSPE-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725470951 1182011680 /nfs/dbraw/zinc/01/16/80/1182011680.db2.gz QHLYYRKEYWDMEC-HOCLYGCPSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001725508962 1182030261 /nfs/dbraw/zinc/03/02/61/1182030261.db2.gz IHPDZQOYIOSSJJ-CQSZACIVSA-N 2 0 281.444 1.731 10 30 CDEERP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001725573576 1182055817 /nfs/dbraw/zinc/05/58/17/1182055817.db2.gz GOOBAWDPEWDZQH-ZIAGYGMSSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001731296244 1182301645 /nfs/dbraw/zinc/30/16/45/1182301645.db2.gz KFTKVAUPFPSERI-HOTGVXAUSA-N 2 0 293.455 1.711 10 30 CDEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001731994941 1182718172 /nfs/dbraw/zinc/71/81/72/1182718172.db2.gz TVGDXPTYZDFBPU-ZBFHGGJFSA-N 2 0 291.439 1.321 10 30 CDEERP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001732168824 1182827619 /nfs/dbraw/zinc/82/76/19/1182827619.db2.gz OXLKNJIKJMFTPT-CQSZACIVSA-N 2 0 279.428 1.437 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001732562492 1183010870 /nfs/dbraw/zinc/01/08/70/1183010870.db2.gz CNKTYTQFAKFFGW-KFWWJZLASA-N 2 0 281.444 1.633 10 30 CDEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001732630293 1183056962 /nfs/dbraw/zinc/05/69/62/1183056962.db2.gz ZJXSZYXBSHMUGT-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001733082575 1183279761 /nfs/dbraw/zinc/27/97/61/1183279761.db2.gz FEYFQJJTFJGRRT-HZPDHXFCSA-N 2 0 293.455 1.616 10 30 CDEERP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001733083649 1183281753 /nfs/dbraw/zinc/28/17/53/1183281753.db2.gz NLIKLRFHBKQTLX-CVEARBPZSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001733100720 1183291572 /nfs/dbraw/zinc/29/15/72/1183291572.db2.gz IWARDFXIQLDNJR-MRXNPFEDSA-N 2 0 293.455 1.733 10 30 CDEERP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001733289834 1183380464 /nfs/dbraw/zinc/38/04/64/1183380464.db2.gz UXDLPXWYVMKPOY-QGZVFWFLSA-N 2 0 291.439 1.276 10 30 CDEERP C=CCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001733335353 1183400487 /nfs/dbraw/zinc/40/04/87/1183400487.db2.gz IFTAEHDSCCGTES-CABCVRRESA-N 2 0 291.439 1.627 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001733540365 1183459801 /nfs/dbraw/zinc/45/98/01/1183459801.db2.gz UYOTUEVEIXRLNA-GJZGRUSLSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001733605481 1183478256 /nfs/dbraw/zinc/47/82/56/1183478256.db2.gz HQPXNMFEUWYFHE-JKSUJKDBSA-N 2 0 293.455 1.826 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)[C@H](F)C[NH+](CC)CC)CCC1 ZINC001733716342 1183506254 /nfs/dbraw/zinc/50/62/54/1183506254.db2.gz RLLOXAKKAHLLIE-CQSZACIVSA-N 2 0 297.418 1.318 10 30 CDEERP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001733843262 1183547373 /nfs/dbraw/zinc/54/73/73/1183547373.db2.gz AFUCYVPZEYKJPG-HOCLYGCPSA-N 2 0 293.455 1.873 10 30 CDEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001733878335 1183557328 /nfs/dbraw/zinc/55/73/28/1183557328.db2.gz HRIFBAOVFCTEFI-HNNXBMFYSA-N 2 0 293.455 1.567 10 30 CDEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001734022921 1183616566 /nfs/dbraw/zinc/61/65/66/1183616566.db2.gz STUDXRBWWPAQPC-UHFFFAOYSA-N 2 0 293.455 1.426 10 30 CDEERP C=CC[NH+]1CCCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001734196246 1183686869 /nfs/dbraw/zinc/68/68/69/1183686869.db2.gz ABMAYUHKMWHJOU-UHFFFAOYSA-N 2 0 293.455 1.829 10 30 CDEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001734250032 1183703864 /nfs/dbraw/zinc/70/38/64/1183703864.db2.gz CXMLCJDVZRKZIQ-AWEZNQCLSA-N 2 0 279.428 1.226 10 30 CDEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001734345781 1183741599 /nfs/dbraw/zinc/74/15/99/1183741599.db2.gz WQMRZANYSKWZPJ-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001734456965 1183785582 /nfs/dbraw/zinc/78/55/82/1183785582.db2.gz HRKDKUNYAJDQMC-CABCVRRESA-N 2 0 281.444 1.873 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001734498976 1183800780 /nfs/dbraw/zinc/80/07/80/1183800780.db2.gz AGHHBVKGJTXLOL-HUUCEWRRSA-N 2 0 293.455 1.731 10 30 CDEERP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001734602883 1183842361 /nfs/dbraw/zinc/84/23/61/1183842361.db2.gz SMEOIYDVUPXHDN-NFOMZHRRSA-N 2 0 279.428 1.483 10 30 CDEERP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001369576111 959768605 /nfs/dbraw/zinc/76/86/05/959768605.db2.gz XQZAKOOIHROYNR-UHFFFAOYSA-N 2 0 273.808 1.270 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000876505460 1165858595 /nfs/dbraw/zinc/85/85/95/1165858595.db2.gz WDDIYSUJIGMITI-JTQLQIEISA-N 2 0 259.781 1.234 10 30 CDEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000876777291 1165914838 /nfs/dbraw/zinc/91/48/38/1165914838.db2.gz PKVRTUPQUUQQQE-STQMWFEESA-N 2 0 287.835 1.647 10 30 CDEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390718796 976453089 /nfs/dbraw/zinc/45/30/89/976453089.db2.gz KYMAERBFIRRIDX-NEPJUHHUSA-N 2 0 273.808 1.175 10 30 CDEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001569231538 1167556328 /nfs/dbraw/zinc/55/63/28/1167556328.db2.gz RUTPVZGOCZEUBE-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CC[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001567421320 1168055932 /nfs/dbraw/zinc/05/59/32/1168055932.db2.gz QYUZFPRYGMDMOS-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=C(Cl)CN(C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001566489128 1168305768 /nfs/dbraw/zinc/30/57/68/1168305768.db2.gz QPUSSFHAEHZERU-UHFFFAOYSA-N 2 0 287.835 1.519 10 30 CDEERP C#CCC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001566498227 1168309907 /nfs/dbraw/zinc/30/99/07/1168309907.db2.gz YADPBYQWWWCTNH-MRXNPFEDSA-N 2 0 293.455 1.711 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001566810911 1168430756 /nfs/dbraw/zinc/43/07/56/1168430756.db2.gz HWXSMMDYUPGMPQ-MGPQQGTHSA-N 2 0 267.417 1.386 10 30 CDEERP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001567016189 1168511980 /nfs/dbraw/zinc/51/19/80/1168511980.db2.gz DPFPOGAGFCKKGM-HZSPNIEDSA-N 2 0 267.417 1.387 10 30 CDEERP C#CC[NH2+][C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001567081984 1168552955 /nfs/dbraw/zinc/55/29/55/1168552955.db2.gz FSMQLLXFBFSYDT-CYBMUJFWSA-N 2 0 273.380 1.089 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483695191 912876197 /nfs/dbraw/zinc/87/61/97/912876197.db2.gz PSULQTGIWOUJDE-ZIAGYGMSSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[N@H+](CC)CCNC(=O)CC[NH+]1CCCCC1 ZINC001266440138 894906605 /nfs/dbraw/zinc/90/66/05/894906605.db2.gz ICPYMKKGTWMPBC-UHFFFAOYSA-N 2 0 267.417 1.487 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001266957881 896435148 /nfs/dbraw/zinc/43/51/48/896435148.db2.gz ZCICMTBXHLNDSQ-ZDUSSCGKSA-N 2 0 299.378 1.551 10 30 CDEERP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267089214 896739500 /nfs/dbraw/zinc/73/95/00/896739500.db2.gz CHVFZNXFOBWTPE-GJZGRUSLSA-N 2 0 289.423 1.123 10 30 CDEERP C=CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001267269770 897421598 /nfs/dbraw/zinc/42/15/98/897421598.db2.gz PXJXUPHFUNUDKI-AWEZNQCLSA-N 2 0 265.401 1.237 10 30 CDEERP C=CCC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001480935783 897754646 /nfs/dbraw/zinc/75/46/46/897754646.db2.gz RUYATGKZSYXEOL-LSDHHAIUSA-N 2 0 281.444 1.731 10 30 CDEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267639085 899123714 /nfs/dbraw/zinc/12/37/14/899123714.db2.gz XYUBWWHUVMYGFX-CABCVRRESA-N 2 0 279.428 1.437 10 30 CDEERP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267809510 899784310 /nfs/dbraw/zinc/78/43/10/899784310.db2.gz MTHGRAQARUPDPJ-GJZGRUSLSA-N 2 0 281.444 1.921 10 30 CDEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267989086 900204806 /nfs/dbraw/zinc/20/48/06/900204806.db2.gz FPMXINSLGQWPRT-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001481425366 900626065 /nfs/dbraw/zinc/62/60/65/900626065.db2.gz WFLOWDUKBWHSNN-KGLIPLIRSA-N 2 0 299.846 1.661 10 30 CDEERP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001481438195 900666212 /nfs/dbraw/zinc/66/62/12/900666212.db2.gz MEUSOLACTPLNRY-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH+]1CC[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001481452200 900713350 /nfs/dbraw/zinc/71/33/50/900713350.db2.gz KMLGHPQMRICVAK-GJZGRUSLSA-N 2 0 279.428 1.342 10 30 CDEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001481505813 900956026 /nfs/dbraw/zinc/95/60/26/900956026.db2.gz WEOPFYNHNYHMCM-INIZCTEOSA-N 2 0 293.455 1.522 10 30 CDEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268110511 901312813 /nfs/dbraw/zinc/31/28/13/901312813.db2.gz GMRDBHOJFMQUTJ-HUUCEWRRSA-N 2 0 281.444 1.635 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001481868413 902246612 /nfs/dbraw/zinc/24/66/12/902246612.db2.gz FTGBRGYXSCCZMG-HUUCEWRRSA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+]CCN(CC)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001268498968 902402279 /nfs/dbraw/zinc/40/22/79/902402279.db2.gz BIBMODFHTYKPNU-UHFFFAOYSA-N 2 0 289.423 1.986 10 30 CDEERP CC#CC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001269558972 903928374 /nfs/dbraw/zinc/92/83/74/903928374.db2.gz NFGHPTAQGCXBEE-CQSZACIVSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001269629088 903994406 /nfs/dbraw/zinc/99/44/06/903994406.db2.gz ARMUTQJJSLXBCP-ZQIUZPCESA-N 2 0 293.455 1.777 10 30 CDEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001270081459 904337470 /nfs/dbraw/zinc/33/74/70/904337470.db2.gz CZRRFYPQNOJZBY-INIZCTEOSA-N 2 0 289.423 1.919 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001271916973 906975663 /nfs/dbraw/zinc/97/56/63/906975663.db2.gz ZIZAOQYMLMRFIP-HNNXBMFYSA-N 2 0 297.443 1.014 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001482565432 907145863 /nfs/dbraw/zinc/14/58/63/907145863.db2.gz HOEHADFNNAPREK-UONOGXRCSA-N 2 0 269.433 1.489 10 30 CDEERP C=C(C)C[NH+]1CCC(NC(NC2CCC2)=[NH+]C)CC1 ZINC000262760387 907452008 /nfs/dbraw/zinc/45/20/08/907452008.db2.gz DBOIMVQQLIRZAK-UHFFFAOYSA-N 2 0 264.417 1.744 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001505625402 908087478 /nfs/dbraw/zinc/08/74/78/908087478.db2.gz JRRZQCNJGYAWIQ-UONOGXRCSA-N 2 0 281.444 1.920 10 30 CDEERP C#CC[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001272144811 908628485 /nfs/dbraw/zinc/62/84/85/908628485.db2.gz AOQULFUGWCXJJJ-UHFFFAOYSA-N 2 0 279.428 1.130 10 30 CDEERP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001483082858 909301568 /nfs/dbraw/zinc/30/15/68/909301568.db2.gz YBWVFCZOSARSFQ-QDNWOOLPSA-N 2 0 293.455 1.945 10 30 CDEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001507013792 909841526 /nfs/dbraw/zinc/84/15/26/909841526.db2.gz ZQSBQHMIJMDINC-HZPDHXFCSA-N 2 0 291.439 1.321 10 30 CDEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001483354016 910963608 /nfs/dbraw/zinc/96/36/08/910963608.db2.gz PGKAQJVOSOBREK-KGLIPLIRSA-N 2 0 267.417 1.483 10 30 CDEERP N#CCCCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001648592289 1169141374 /nfs/dbraw/zinc/14/13/74/1169141374.db2.gz ZWUHVYYIQDWRHH-UHFFFAOYSA-N 2 0 279.428 1.993 10 30 CDEERP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001483865753 915141758 /nfs/dbraw/zinc/14/17/58/915141758.db2.gz XYXNSCMGELQETM-MRXNPFEDSA-N 2 0 291.439 1.437 10 30 CDEERP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001484415148 915744791 /nfs/dbraw/zinc/74/47/91/915744791.db2.gz POSYIYXQPYYYCS-OKILXGFUSA-N 2 0 299.846 1.469 10 30 CDEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484547635 915874706 /nfs/dbraw/zinc/87/47/06/915874706.db2.gz AHZPGNOKGUPGBP-HZPDHXFCSA-N 2 0 295.471 1.977 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001484634561 915964712 /nfs/dbraw/zinc/96/47/12/915964712.db2.gz PLYGBYNFLGNYEJ-CHWSQXEVSA-N 2 0 265.401 1.141 10 30 CDEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001485534093 917075518 /nfs/dbraw/zinc/07/55/18/917075518.db2.gz YGZLEPAWXUFUFQ-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)C1 ZINC001485581679 917107151 /nfs/dbraw/zinc/10/71/51/917107151.db2.gz HZGUJUROZPDQDH-OAHLLOKOSA-N 2 0 293.455 1.568 10 30 CDEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001485691710 917169272 /nfs/dbraw/zinc/16/92/72/917169272.db2.gz DIQRINJGGLSMQT-SHTZXODSSA-N 2 0 291.439 1.369 10 30 CDEERP C=C(C[NH+](C)C)C(=O)NC[C@@H]1c2ccccc2CN1C ZINC000826704464 936432748 /nfs/dbraw/zinc/43/27/48/936432748.db2.gz TYKZZPNWZNFWQV-OAHLLOKOSA-N 2 0 273.380 1.407 10 30 CDEERP C=CCC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001485882459 920543128 /nfs/dbraw/zinc/54/31/28/920543128.db2.gz SKYXMXKMGZGTRD-CYBMUJFWSA-N 2 0 267.417 1.483 10 30 CDEERP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001273053074 921835988 /nfs/dbraw/zinc/83/59/88/921835988.db2.gz SUMKOCUZRVOWQQ-JKSUJKDBSA-N 2 0 293.455 1.759 10 30 CDEERP C#CC[NH2+]CCN(CC)C(=O)C[N@H+](C)CC(C)(C)C ZINC001273610440 922284014 /nfs/dbraw/zinc/28/40/14/922284014.db2.gz MTMDNFDWPIOWOO-UHFFFAOYSA-N 2 0 267.417 1.036 10 30 CDEERP CC#CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCC1 ZINC001273173665 923750577 /nfs/dbraw/zinc/75/05/77/923750577.db2.gz YWUKSFJLRRJWRE-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCC1 ZINC001273200692 924495953 /nfs/dbraw/zinc/49/59/53/924495953.db2.gz FBRXNQJGPHHXMF-OAHLLOKOSA-N 2 0 291.439 1.513 10 30 CDEERP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001273841636 926091551 /nfs/dbraw/zinc/09/15/51/926091551.db2.gz VJUMKPHDYUJGAY-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP CC(C)C[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852857604 927898931 /nfs/dbraw/zinc/89/89/31/927898931.db2.gz YJHWYHXQUPXIGK-UHFFFAOYSA-N 2 0 291.439 1.226 10 30 CDEERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(OCC#N)cc1 ZINC000863547107 929568599 /nfs/dbraw/zinc/56/85/99/929568599.db2.gz PGBJLOYQLXGESH-CYBMUJFWSA-N 2 0 277.368 1.605 10 30 CDEERP C[C@@H]1CCCN(C(=[NH2+])NCCCC[NH+]2CCOCC2)C1 ZINC000104169721 931322701 /nfs/dbraw/zinc/32/27/01/931322701.db2.gz UJLVZZNESYSYRW-CQSZACIVSA-N 2 0 282.432 1.145 10 30 CDEERP C#CC[NH2+]C/C=C\CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001274367577 931494357 /nfs/dbraw/zinc/49/43/57/931494357.db2.gz CILZYNFNAZCPIU-WAYWQWQTSA-N 2 0 299.418 1.300 10 30 CDEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001275001430 931630957 /nfs/dbraw/zinc/63/09/57/931630957.db2.gz PDROADLZEUTEQE-ZBFHGGJFSA-N 2 0 279.428 1.533 10 30 CDEERP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001568545865 1169358276 /nfs/dbraw/zinc/35/82/76/1169358276.db2.gz UJDHQXFYZQGTOL-KGLIPLIRSA-N 2 0 267.417 1.387 10 30 CDEERP C=CC[N@@H+](C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001275865764 932101259 /nfs/dbraw/zinc/10/12/59/932101259.db2.gz OKNJGGZJACQIPG-GFCCVEGCSA-N 2 0 286.379 1.879 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C[NH2+]CC)C2CC2)CC1 ZINC001283555068 942931961 /nfs/dbraw/zinc/93/19/61/942931961.db2.gz BOLVGZMVTHSBES-MRXNPFEDSA-N 2 0 291.439 1.178 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001263250974 943807311 /nfs/dbraw/zinc/80/73/11/943807311.db2.gz WJWYZUFWCMJDRV-WDEREUQCSA-N 2 0 259.781 1.105 10 30 CDEERP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001263927602 944033981 /nfs/dbraw/zinc/03/39/81/944033981.db2.gz KXEAGJIODZRIMX-ZNMIVQPWSA-N 2 0 279.428 1.080 10 30 CDEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001264741844 944173318 /nfs/dbraw/zinc/17/33/18/944173318.db2.gz SXHFQYVBLCOZGV-INIZCTEOSA-N 2 0 293.455 1.970 10 30 CDEERP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001265304180 944335029 /nfs/dbraw/zinc/33/50/29/944335029.db2.gz WYDJRSKEBXZXTQ-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP C#CCC[NH+]1CCC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265594743 944439707 /nfs/dbraw/zinc/43/97/07/944439707.db2.gz JRIWYJVWUZGRCP-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001265708313 944477155 /nfs/dbraw/zinc/47/71/55/944477155.db2.gz MKXKGUPVTFMWOE-LSDHHAIUSA-N 2 0 279.428 1.178 10 30 CDEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001479415272 971322715 /nfs/dbraw/zinc/32/27/15/971322715.db2.gz AQYLJTSDEYYXOF-WKILWMFISA-N 2 0 291.439 1.370 10 30 CDEERP C=CCC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001480058371 971559148 /nfs/dbraw/zinc/55/91/48/971559148.db2.gz CVCHIXFINIVGRT-CQSZACIVSA-N 2 0 277.412 1.143 10 30 CDEERP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480387272 971695414 /nfs/dbraw/zinc/69/54/14/971695414.db2.gz QGDLXDLKLZPRNM-HOTGVXAUSA-N 2 0 291.439 1.322 10 30 CDEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278679053 951611122 /nfs/dbraw/zinc/61/11/22/951611122.db2.gz ZCJGWCPDKPNVJW-HOCLYGCPSA-N 2 0 281.444 1.731 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480674172 971833330 /nfs/dbraw/zinc/83/33/30/971833330.db2.gz KUHHGCKMWIQSPG-ZDUSSCGKSA-N 2 0 297.830 1.273 10 30 CDEERP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001325405382 953889544 /nfs/dbraw/zinc/88/95/44/953889544.db2.gz FZFQFKDEMSSZDG-CABCVRRESA-N 2 0 291.439 1.321 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001493244916 971994379 /nfs/dbraw/zinc/99/43/79/971994379.db2.gz UPPLZESCHGZGGU-INIZCTEOSA-N 2 0 291.439 1.180 10 30 CDEERP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001327529226 954918943 /nfs/dbraw/zinc/91/89/43/954918943.db2.gz GUKHHPRXUSPCRJ-QGZVFWFLSA-N 2 0 293.455 1.829 10 30 CDEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001491825386 955454558 /nfs/dbraw/zinc/45/45/58/955454558.db2.gz AYNXZAOYJXAQSW-HNNXBMFYSA-N 2 0 293.455 1.875 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491873214 955487257 /nfs/dbraw/zinc/48/72/57/955487257.db2.gz CPVZUCGINAFNPX-GJZGRUSLSA-N 2 0 291.439 1.511 10 30 CDEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001493849784 972125196 /nfs/dbraw/zinc/12/51/96/972125196.db2.gz KFQNBSCCWRVICO-HOCLYGCPSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001329240393 955771057 /nfs/dbraw/zinc/77/10/57/955771057.db2.gz GHEOIEXFVQOVFM-UYSNPLJNSA-N 2 0 293.455 1.709 10 30 CDEERP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001493997694 972158190 /nfs/dbraw/zinc/15/81/90/972158190.db2.gz OLDFUOHUUDRWKT-CVEARBPZSA-N 2 0 293.455 1.875 10 30 CDEERP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001330686513 956566752 /nfs/dbraw/zinc/56/67/52/956566752.db2.gz MAOCASUKHFRFTQ-KLHDSHLOSA-N 2 0 293.455 1.777 10 30 CDEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001328643976 956899434 /nfs/dbraw/zinc/89/94/34/956899434.db2.gz MMFNVDIEFRQVJU-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317103997 956960817 /nfs/dbraw/zinc/96/08/17/956960817.db2.gz CFRXBKWUIKHUOQ-KBXIAJHMSA-N 2 0 279.428 1.672 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001331440284 957060025 /nfs/dbraw/zinc/06/00/25/957060025.db2.gz RRWKZHGJMBIPHB-GOEBONIOSA-N 2 0 293.455 1.731 10 30 CDEERP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001331576998 957148684 /nfs/dbraw/zinc/14/86/84/957148684.db2.gz ZCLNFIBTWKUWTD-GJZGRUSLSA-N 2 0 279.428 1.321 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001317142785 957302048 /nfs/dbraw/zinc/30/20/48/957302048.db2.gz GRFTYMMYDTXVIW-JKSUJKDBSA-N 2 0 291.439 1.180 10 30 CDEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317147116 957305568 /nfs/dbraw/zinc/30/55/68/957305568.db2.gz NMZSJMUMYFHIDH-CABCVRRESA-N 2 0 279.428 1.485 10 30 CDEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001317148917 957306855 /nfs/dbraw/zinc/30/68/55/957306855.db2.gz FYFYTOBIQWGELO-HNNXBMFYSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317177447 957322992 /nfs/dbraw/zinc/32/29/92/957322992.db2.gz UOAWWVAKQDHHMH-JKSUJKDBSA-N 2 0 291.439 1.322 10 30 CDEERP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001332064727 957421298 /nfs/dbraw/zinc/42/12/98/957421298.db2.gz OUARPGXQRLKTTM-UONOGXRCSA-N 2 0 267.417 1.482 10 30 CDEERP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317360649 957437685 /nfs/dbraw/zinc/43/76/85/957437685.db2.gz QUBSXYLVMCDGRX-GJZGRUSLSA-N 2 0 289.423 1.123 10 30 CDEERP C=C(Cl)C[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001317670767 957633140 /nfs/dbraw/zinc/63/31/40/957633140.db2.gz WFWHGZZCCQIDGQ-UHFFFAOYSA-N 2 0 287.835 1.663 10 30 CDEERP C=CC[NH+]1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001318128908 957935248 /nfs/dbraw/zinc/93/52/48/957935248.db2.gz AOEUTGBJYNWHCT-UHFFFAOYSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001333075899 958058061 /nfs/dbraw/zinc/05/80/61/958058061.db2.gz QUWLATAWDCXDBQ-UHFFFAOYSA-N 2 0 265.401 1.236 10 30 CDEERP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001318712046 958241414 /nfs/dbraw/zinc/24/14/14/958241414.db2.gz WULOGYXJHIMWRX-DOTOQJQBSA-N 2 0 291.439 1.369 10 30 CDEERP C=CCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]21 ZINC001320110888 958944813 /nfs/dbraw/zinc/94/48/13/958944813.db2.gz IZHDBBBOQXMOMO-HOTGVXAUSA-N 2 0 293.455 1.827 10 30 CDEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001437306741 962796887 /nfs/dbraw/zinc/79/68/87/962796887.db2.gz HZRJRFXOGUVZQN-UONOGXRCSA-N 2 0 299.846 1.661 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001342308900 963705521 /nfs/dbraw/zinc/70/55/21/963705521.db2.gz ZXYLFAOYJXBZCJ-XJKSGUPXSA-N 2 0 281.444 1.894 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC001346289766 965031540 /nfs/dbraw/zinc/03/15/40/965031540.db2.gz ZOOBGXHVCQRHEO-BBRMVZONSA-N 2 0 292.427 1.160 10 30 CDEERP C=CCC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001480329883 967379322 /nfs/dbraw/zinc/37/93/22/967379322.db2.gz AAOMYJYTUCRGQR-HNNXBMFYSA-N 2 0 281.444 1.875 10 30 CDEERP CCNC(NC1CC([NH+]2CCCCC2)C1)=[NH+]CC ZINC000849024988 969412579 /nfs/dbraw/zinc/41/25/79/969412579.db2.gz IRWOOOXTOKAVNJ-UHFFFAOYSA-N 2 0 252.406 1.578 10 30 CDEERP C=CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001357981630 969675837 /nfs/dbraw/zinc/67/58/37/969675837.db2.gz QTUONFSULVQPOG-ZDUSSCGKSA-N 2 0 267.417 1.613 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001495560446 972538480 /nfs/dbraw/zinc/53/84/80/972538480.db2.gz SZGDYOHRYXRLFB-CVEARBPZSA-N 2 0 291.439 1.485 10 30 CDEERP C=CC[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001569642164 1169949284 /nfs/dbraw/zinc/94/92/84/1169949284.db2.gz YGSAPXJWMUWYJX-ZBFHGGJFSA-N 2 0 279.428 1.627 10 30 CDEERP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001495667194 972585228 /nfs/dbraw/zinc/58/52/28/972585228.db2.gz PIAQWECTYXQAMY-HIFRSBDPSA-N 2 0 279.428 1.246 10 30 CDEERP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001569652956 1169954110 /nfs/dbraw/zinc/95/41/10/1169954110.db2.gz CBKZVBZUDILLLD-HOCLYGCPSA-N 2 0 279.428 1.485 10 30 CDEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001496642301 973006202 /nfs/dbraw/zinc/00/62/02/973006202.db2.gz IZNRLCBZQCZDPC-ZDUSSCGKSA-N 2 0 287.835 1.565 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497207925 973245349 /nfs/dbraw/zinc/24/53/49/973245349.db2.gz MNNISDCAYFKTJI-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497219426 973250191 /nfs/dbraw/zinc/25/01/91/973250191.db2.gz AKOXTQPLLYIBBN-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001497329518 973289141 /nfs/dbraw/zinc/28/91/41/973289141.db2.gz CAADNWKEGTVHME-JKSUJKDBSA-N 2 0 293.455 1.615 10 30 CDEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001497654677 973449921 /nfs/dbraw/zinc/44/99/21/973449921.db2.gz LCMPYZRLQZGFSO-ZFDPJTLLSA-N 2 0 285.819 1.485 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCC1 ZINC001501968329 974665240 /nfs/dbraw/zinc/66/52/40/974665240.db2.gz LVLWUSUFHJSANV-CYBMUJFWSA-N 2 0 265.401 1.285 10 30 CDEERP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001503503162 974823194 /nfs/dbraw/zinc/82/31/94/974823194.db2.gz ULPIHEUMXXMGJD-JKSUJKDBSA-N 2 0 293.455 1.757 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505686682 974964254 /nfs/dbraw/zinc/96/42/54/974964254.db2.gz SRBYMBXFBVFVET-STQMWFEESA-N 2 0 255.406 1.387 10 30 CDEERP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001506158222 975118304 /nfs/dbraw/zinc/11/83/04/975118304.db2.gz FXVLCHNNKKMFCT-GJZGRUSLSA-N 2 0 281.444 1.729 10 30 CDEERP C=C(Cl)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001407835614 976788926 /nfs/dbraw/zinc/78/89/26/976788926.db2.gz WXHBMTCODUUWSV-UHFFFAOYSA-N 2 0 285.819 1.463 10 30 CDEERP C=CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001674976773 1174052905 /nfs/dbraw/zinc/05/29/05/1174052905.db2.gz QOFGQRWJOYWVOZ-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001676222569 1174194439 /nfs/dbraw/zinc/19/44/39/1174194439.db2.gz UPGPBEIQKBKKKZ-CVEARBPZSA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001676397959 1174218424 /nfs/dbraw/zinc/21/84/24/1174218424.db2.gz XGNZQGMDNPURER-ZDUSSCGKSA-N 2 0 267.417 1.483 10 30 CDEERP C#CCC[N@@H+](C)CCN(C(=O)C[NH+](C)C1CCC1)C(C)C ZINC001677202226 1174335705 /nfs/dbraw/zinc/33/57/05/1174335705.db2.gz ZMWFBQHYOQUMAO-UHFFFAOYSA-N 2 0 293.455 1.663 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCC1 ZINC001570122472 1170085708 /nfs/dbraw/zinc/08/57/08/1170085708.db2.gz NATNGPNFGLLORG-UHFFFAOYSA-N 2 0 279.428 1.533 10 30 CDEERP C=CCC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001570747026 1170266129 /nfs/dbraw/zinc/26/61/29/1170266129.db2.gz AXKBTYLJXPNGKG-HUUCEWRRSA-N 2 0 293.455 1.873 10 30 CDEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H]([NH2+]CC)C(C)C)CC1 ZINC001571353475 1170380962 /nfs/dbraw/zinc/38/09/62/1170380962.db2.gz ZUHIAZGGLSWKRU-MRXNPFEDSA-N 2 0 293.455 1.472 10 30 CDEERP C#CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001571501181 1170456632 /nfs/dbraw/zinc/45/66/32/1170456632.db2.gz NOZZXBBZSVCVHV-WBVHZDCISA-N 2 0 289.423 1.217 10 30 CDEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)(C)C ZINC001571624918 1170500913 /nfs/dbraw/zinc/50/09/13/1170500913.db2.gz SMSKHDBMNXYKSX-GJZGRUSLSA-N 2 0 293.455 1.613 10 30 CDEERP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)CC1(C#N)CC1 ZINC000599300074 343999039 /nfs/dbraw/zinc/99/90/39/343999039.db2.gz MGOSJEXGNRECJE-LSDHHAIUSA-N 2 0 279.428 1.847 10 30 CDEERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000593915008 342856477 /nfs/dbraw/zinc/85/64/77/342856477.db2.gz SUWTZEHJWZOCMQ-AWEZNQCLSA-N 2 0 274.368 1.043 10 30 CDEERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437100 342898212 /nfs/dbraw/zinc/89/82/12/342898212.db2.gz IAIREWQEHGMXQE-KBPBESRZSA-N 2 0 280.416 1.340 10 30 CDEERP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594435827 342899172 /nfs/dbraw/zinc/89/91/72/342899172.db2.gz ADBNUSXNMGNWAZ-KBPBESRZSA-N 2 0 280.416 1.388 10 30 CDEERP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)CC2(C#N)CC2)CCCO1 ZINC000600734388 342246039 /nfs/dbraw/zinc/24/60/39/342246039.db2.gz OQICIQTWCFMDKR-CABCVRRESA-N 2 0 295.427 1.132 10 30 CDEERP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1CCCC1 ZINC000594436963 342903717 /nfs/dbraw/zinc/90/37/17/342903717.db2.gz RUXICRPECBXQLS-HNNXBMFYSA-N 2 0 294.443 1.730 10 30 CDEERP CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246580329 360889791 /nfs/dbraw/zinc/88/97/91/360889791.db2.gz FJQCDUSKBUWLES-ILXRZTDVSA-N 2 0 294.443 1.409 10 30 CDEERP C=C(C)[C@H](CO)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639705196 364458242 /nfs/dbraw/zinc/45/82/42/364458242.db2.gz UJONUDPWELZCPE-HNNXBMFYSA-N 2 0 261.369 1.531 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001661673935 1172425720 /nfs/dbraw/zinc/42/57/20/1172425720.db2.gz LGKMFFNGGCASSB-JONQDZQNSA-N 2 0 293.455 1.920 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001662918496 1172615597 /nfs/dbraw/zinc/61/55/97/1172615597.db2.gz DLBRLAZBKBPOIF-DZGCQCFKSA-N 2 0 279.428 1.389 10 30 CDEERP C=CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001663363388 1172680581 /nfs/dbraw/zinc/68/05/81/1172680581.db2.gz IFANUZGFTYMWRF-CYBMUJFWSA-N 2 0 253.390 1.095 10 30 CDEERP C=C(C)[C@H](CO)[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000649336481 392061025 /nfs/dbraw/zinc/06/10/25/392061025.db2.gz ZDWGPZSVTWPRKV-GJZGRUSLSA-N 2 0 270.417 1.356 10 30 CDEERP N#Cc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)c(F)c1 ZINC000269453400 132173712 /nfs/dbraw/zinc/17/37/12/132173712.db2.gz WGEPFARPXAVSHX-UHFFFAOYSA-N 2 0 291.370 1.899 10 30 CDEERP C=C(C)CC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001664111705 1172812386 /nfs/dbraw/zinc/81/23/86/1172812386.db2.gz REMFIQZOPOSSKJ-UHFFFAOYSA-N 2 0 281.444 1.875 10 30 CDEERP C=CC[C@@]1(C(=O)NCCC[NH+](CC)CC)CCC[NH2+]1 ZINC000662658926 413263013 /nfs/dbraw/zinc/26/30/13/413263013.db2.gz MRMBZDOWYOGDRO-HNNXBMFYSA-N 2 0 267.417 1.533 10 30 CDEERP C=CC[C@]1(C(=O)NCCC[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662669510 413278867 /nfs/dbraw/zinc/27/88/67/413278867.db2.gz ACFBRPCISFKDCZ-MRXNPFEDSA-N 2 0 279.428 1.677 10 30 CDEERP C=CC[NH+]1CCC(NC(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662721369 413381491 /nfs/dbraw/zinc/38/14/91/413381491.db2.gz OGLNXHJOARGRJF-UHFFFAOYSA-N 2 0 277.412 1.415 10 30 CDEERP C=CC[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662299611 414626308 /nfs/dbraw/zinc/62/63/08/414626308.db2.gz SHZAKRCOTBITGH-KBPBESRZSA-N 2 0 250.386 1.796 10 30 CDEERP CNC(=O)C1CC[NH+](Cc2sccc2C#CC[NH3+])CC1 ZINC000043683936 175091830 /nfs/dbraw/zinc/09/18/30/175091830.db2.gz PJDJAEVFWRNNHW-UHFFFAOYSA-N 2 0 291.420 1.016 10 30 CDEERP [NH3+]CC#Cc1csc(C[N@H+](CCO)C2CCCC2)c1 ZINC000043689097 175095824 /nfs/dbraw/zinc/09/58/24/175095824.db2.gz UPDUSIMFTUTHHA-UHFFFAOYSA-N 2 0 278.421 1.795 10 30 CDEERP CN(Cc1ccc(C#CC[NH3+])cc1F)C[C@@H]1CC[N@H+](C)C1 ZINC000071190478 176066543 /nfs/dbraw/zinc/06/65/43/176066543.db2.gz DWXFRWAOPGADTB-OAHLLOKOSA-N 2 0 289.398 1.519 10 30 CDEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001666318572 1173125407 /nfs/dbraw/zinc/12/54/07/1173125407.db2.gz JHHOSSGTZRSUNY-SHTZXODSSA-N 2 0 279.428 1.369 10 30 CDEERP C=CC[C@@]1(C(=O)N2CCC[C@@H](CC[NH3+])C2)CCC[NH2+]1 ZINC000662774290 424436833 /nfs/dbraw/zinc/43/68/33/424436833.db2.gz QITGHUZYIZSBSM-ZFWWWQNUSA-N 2 0 265.401 1.272 10 30 CDEERP C#CC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001669910990 1173629219 /nfs/dbraw/zinc/62/92/19/1173629219.db2.gz SEPLOMQIBJPEPS-AWEZNQCLSA-N 2 0 291.439 1.178 10 30 CDEERP CC#CCC[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188316341 329366105 /nfs/dbraw/zinc/36/61/05/329366105.db2.gz NMCHDNOLEXCCGH-GOSISDBHSA-N 2 0 286.419 1.969 10 30 CDEERP CNC(NC1CC[NH+](Cc2ccccc2)CC1)=[NH+]C ZINC000263955178 330060867 /nfs/dbraw/zinc/06/08/67/330060867.db2.gz IDRMNKSJFRXMPN-UHFFFAOYSA-N 2 0 260.385 1.446 10 30 CDEERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528399517 330255867 /nfs/dbraw/zinc/25/58/67/330255867.db2.gz YZKQZBXGFNYYKO-JKSUJKDBSA-N 2 0 291.439 1.705 10 30 CDEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000424167551 330309924 /nfs/dbraw/zinc/30/99/24/330309924.db2.gz CRCFYHXPJPBSCO-XGUBFFRZSA-N 2 0 250.386 1.794 10 30 CDEERP C=CCCC[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001732133128 1159738172 /nfs/dbraw/zinc/73/81/72/1159738172.db2.gz DPLFEOACBAJSDO-AWEZNQCLSA-N 2 0 279.428 1.342 10 30 CDEERP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001481857313 1159950889 /nfs/dbraw/zinc/95/08/89/1159950889.db2.gz UUZJLAAUWGGONN-CVEARBPZSA-N 2 0 293.455 1.757 10 30 CDEERP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001700758609 1177117459 /nfs/dbraw/zinc/11/74/59/1177117459.db2.gz CUVZGLIJVTWKLN-QWHCGFSZSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483320068 1160899556 /nfs/dbraw/zinc/89/95/56/1160899556.db2.gz QUXRAGOVUFTMFI-KBPBESRZSA-N 2 0 267.417 1.483 10 30 CDEERP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001714798876 1179402657 /nfs/dbraw/zinc/40/26/57/1179402657.db2.gz YQZYBHIDIWZNSD-OAHLLOKOSA-N 2 0 281.444 1.875 10 30 CDEERP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001717744579 1180821938 /nfs/dbraw/zinc/82/19/38/1180821938.db2.gz DXOXJDBIZAVTOZ-AWEZNQCLSA-N 2 0 279.428 1.178 10 30 CDEERP C#CC[NH2+][C@H](CCNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001725444776 1182002546 /nfs/dbraw/zinc/00/25/46/1182002546.db2.gz NLRQCHVQPFOKKY-CQSZACIVSA-N 2 0 279.428 1.082 10 30 CDEERP CC(C)(C)[NH+]1CCN(Cc2ccccc2C#CC[NH3+])CC1 ZINC000049609854 518712844 /nfs/dbraw/zinc/71/28/44/518712844.db2.gz BFXIHLRCCWUALM-UHFFFAOYSA-N 2 0 285.435 1.913 10 30 CDEERP C[N@@H+](Cc1cccc(C#CC[NH3+])c1)C[C@H]1CCCO1 ZINC000049609686 523290230 /nfs/dbraw/zinc/29/02/30/523290230.db2.gz SSDGZNWCAANXJW-MRXNPFEDSA-N 2 0 258.365 1.608 10 30 CDEERP COc1ccc(C[N@H+](C)C2CCOCC2)cc1C#CC[NH3+] ZINC000049609339 524002741 /nfs/dbraw/zinc/00/27/41/524002741.db2.gz ISGMVSYOPVFMJQ-UHFFFAOYSA-N 2 0 288.391 1.616 10 30 CDEERP N#C[C@H](N)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062439505 526508829 /nfs/dbraw/zinc/50/88/29/526508829.db2.gz AXYMGKDQPMEYJU-CQSZACIVSA-N 2 0 250.390 1.035 10 30 CDEERP COc1cc(C[NH2+]CCCC[NH+](C)C)ccc1C#N ZINC000234838781 536795694 /nfs/dbraw/zinc/79/56/94/536795694.db2.gz RYMNIUUHLVQODR-UHFFFAOYSA-N 2 0 261.369 1.998 10 30 CDEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001690198006 1175402764 /nfs/dbraw/zinc/40/27/64/1175402764.db2.gz ZIUWAXOUFVLDGV-HZPDHXFCSA-N 2 0 293.455 1.685 10 30 CDEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000939754336 613350008 /nfs/dbraw/zinc/35/00/08/613350008.db2.gz MOSBJLHDDGWIKF-UONOGXRCSA-N 2 0 265.401 1.095 10 30 CDEERP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221176 613781595 /nfs/dbraw/zinc/78/15/95/613781595.db2.gz MJTYFPUHQQDIOC-AWEZNQCLSA-N 2 0 279.428 1.485 10 30 CDEERP C#CCN(C)CCC[NH2+]Cc1cn2ccnc2s1 ZINC000894638461 618999955 /nfs/dbraw/zinc/99/99/55/618999955.db2.gz BLIUGMSVTWYUQI-UHFFFAOYSA-N 2 0 262.382 1.441 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000900286712 622855094 /nfs/dbraw/zinc/85/50/94/622855094.db2.gz PGZHWFQTBZOZQR-UHFFFAOYSA-N 2 0 281.444 1.873 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000900563507 623234993 /nfs/dbraw/zinc/23/49/93/623234993.db2.gz OTKJDJDFNGOVCR-AWEZNQCLSA-N 2 0 267.417 1.437 10 30 CDEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000908150368 628032285 /nfs/dbraw/zinc/03/22/85/628032285.db2.gz YTEXCGCEBBBOTL-CABCVRRESA-N 2 0 279.428 1.580 10 30 CDEERP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001266860034 1158912998 /nfs/dbraw/zinc/91/29/98/1158912998.db2.gz VQKCBTSGCOMJOT-JKSUJKDBSA-N 2 0 293.455 1.875 10 30 CDEERP C#CC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001691990121 1158676296 /nfs/dbraw/zinc/67/62/96/1158676296.db2.gz VMPABQIBRVYLFU-HNNXBMFYSA-N 2 0 279.428 1.132 10 30 CDEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC=C)CC1 ZINC001725131020 1159137031 /nfs/dbraw/zinc/13/70/31/1159137031.db2.gz SIWBCDAZVBRIRG-UONOGXRCSA-N 2 0 277.412 1.000 10 30 CDEERP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001622172116 1165717753 /nfs/dbraw/zinc/71/77/53/1165717753.db2.gz PXXWBKOLKHIYQP-UONOGXRCSA-N 2 0 265.401 1.047 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000876768114 1165911942 /nfs/dbraw/zinc/91/19/42/1165911942.db2.gz DMJQRLUJBKLDET-ZIAGYGMSSA-N 2 0 299.846 1.933 10 30 CDEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000876919402 1165939979 /nfs/dbraw/zinc/93/99/79/1165939979.db2.gz VSMGYFIVTGEFQW-ZIAGYGMSSA-N 2 0 293.798 1.629 10 30 CDEERP C#CCCCCCN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000878050547 1166133676 /nfs/dbraw/zinc/13/36/76/1166133676.db2.gz XFLDQHUNXCJGFP-UHFFFAOYSA-N 2 0 291.439 1.420 10 30 CDEERP CC#CC[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001567222103 1168627565 /nfs/dbraw/zinc/62/75/65/1168627565.db2.gz SOVGKTUUMIWAPX-CQSZACIVSA-N 2 0 277.412 1.123 10 30 CDEERP CC#CC[N@H+](CC)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001567346848 1168693878 /nfs/dbraw/zinc/69/38/78/1168693878.db2.gz GZGIXOSRKCUALJ-INIZCTEOSA-N 2 0 293.455 1.712 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001568122015 1169140285 /nfs/dbraw/zinc/14/02/85/1169140285.db2.gz WVBKDIBICDKFLJ-UHFFFAOYSA-N 2 0 285.391 1.121 10 30 CDEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001568336198 1169252040 /nfs/dbraw/zinc/25/20/40/1169252040.db2.gz OJEXSMWQLSJDHT-HUUCEWRRSA-N 2 0 281.444 1.326 10 30 CDEERP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001568451887 1169295151 /nfs/dbraw/zinc/29/51/51/1169295151.db2.gz YSZKRGNECNJDEX-ARFHVFGLSA-N 2 0 293.455 1.470 10 30 CDEERP C#CCC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001569321707 1169763937 /nfs/dbraw/zinc/76/39/37/1169763937.db2.gz UIPNLZVXLWWLLD-MRXNPFEDSA-N 2 0 291.439 1.226 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001570464358 1170166100 /nfs/dbraw/zinc/16/61/00/1170166100.db2.gz YNAAWPJPWXZVKU-UONOGXRCSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001570844201 1170297614 /nfs/dbraw/zinc/29/76/14/1170297614.db2.gz YJZWPENMYAORDN-CYBMUJFWSA-N 2 0 279.428 1.483 10 30 CDEERP C=CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001570907803 1170305800 /nfs/dbraw/zinc/30/58/00/1170305800.db2.gz OMWOTXMNTGJCRR-ZDUSSCGKSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001571417321 1170420638 /nfs/dbraw/zinc/42/06/38/1170420638.db2.gz APYZGSMZHQNRIF-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001662727859 1172586630 /nfs/dbraw/zinc/58/66/30/1172586630.db2.gz LRYKVRZSAXDLFO-MRXNPFEDSA-N 2 0 293.455 1.877 10 30 CDEERP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001669955822 1173637508 /nfs/dbraw/zinc/63/75/08/1173637508.db2.gz KTIMYKNMMXUOLB-CABCVRRESA-N 2 0 293.455 1.921 10 30 CDEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001690165478 1175392372 /nfs/dbraw/zinc/39/23/72/1175392372.db2.gz ZVINGVUBNGKXDC-QEJZJMRPSA-N 2 0 279.428 1.387 10 30 CDEERP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001690291785 1175427989 /nfs/dbraw/zinc/42/79/89/1175427989.db2.gz AFEAAVZDUHFEQY-VGWMRTNUSA-N 2 0 291.439 1.816 10 30 CDEERP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001690296449 1175430677 /nfs/dbraw/zinc/43/06/77/1175430677.db2.gz UERBMSKULSECNU-HDJSIYSDSA-N 2 0 267.417 1.531 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001690584304 1175511854 /nfs/dbraw/zinc/51/18/54/1175511854.db2.gz JYAHRCLXWTWMFJ-ZDUSSCGKSA-N 2 0 267.417 1.531 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001690595816 1175516841 /nfs/dbraw/zinc/51/68/41/1175516841.db2.gz GNYRMWBNBDGDTE-CABCVRRESA-N 2 0 279.428 1.224 10 30 CDEERP C#CC[NH2+][C@@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001690622952 1175526566 /nfs/dbraw/zinc/52/65/66/1175526566.db2.gz CISVLUCHATVZAI-AWEZNQCLSA-N 2 0 287.407 1.132 10 30 CDEERP C=CCC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001698636491 1175881754 /nfs/dbraw/zinc/88/17/54/1175881754.db2.gz PQOHJTOJGIJSGW-UHFFFAOYSA-N 2 0 279.428 1.677 10 30 CDEERP CC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001699001045 1176032282 /nfs/dbraw/zinc/03/22/82/1176032282.db2.gz LFPMXLXGFIMJEE-CVEARBPZSA-N 2 0 293.455 1.520 10 30 CDEERP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001699485080 1176440324 /nfs/dbraw/zinc/44/03/24/1176440324.db2.gz CDTABGPIIKUFNS-GJZGRUSLSA-N 2 0 281.444 1.779 10 30 CDEERP C=C(C)CC[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001699550543 1176472773 /nfs/dbraw/zinc/47/27/73/1176472773.db2.gz IORKAICHJVPUEC-UHFFFAOYSA-N 2 0 267.417 1.487 10 30 CDEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001699934114 1176687341 /nfs/dbraw/zinc/68/73/41/1176687341.db2.gz JZGNXLBCVZBYJJ-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001699973192 1176703234 /nfs/dbraw/zinc/70/32/34/1176703234.db2.gz QTAWEUXUVBOZAJ-LSDHHAIUSA-N 2 0 281.444 1.588 10 30 CDEERP C=CCC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001707376437 1178004297 /nfs/dbraw/zinc/00/42/97/1178004297.db2.gz UFLRXHKGIFFRGT-ZIAGYGMSSA-N 2 0 267.417 1.341 10 30 CDEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713085962 1178358843 /nfs/dbraw/zinc/35/88/43/1178358843.db2.gz QQTGFOCTCPNOOQ-CABCVRRESA-N 2 0 293.455 1.873 10 30 CDEERP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713535513 1178632007 /nfs/dbraw/zinc/63/20/07/1178632007.db2.gz CNXAYFJCEURTHV-CQSZACIVSA-N 2 0 279.428 1.342 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001713935351 1178862727 /nfs/dbraw/zinc/86/27/27/1178862727.db2.gz PFIUCKBHASTRER-AWEZNQCLSA-N 2 0 267.417 1.485 10 30 CDEERP C=CCCC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001714022577 1178932522 /nfs/dbraw/zinc/93/25/22/1178932522.db2.gz URJSGRWJDYTHST-HNNXBMFYSA-N 2 0 281.444 1.827 10 30 CDEERP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001714250305 1179045980 /nfs/dbraw/zinc/04/59/80/1179045980.db2.gz CNTZSCYSAUOXQY-GJZGRUSLSA-N 2 0 281.444 1.777 10 30 CDEERP C#CCC[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001714329675 1179086392 /nfs/dbraw/zinc/08/63/92/1179086392.db2.gz IJLOYXCLZJKAHX-UHFFFAOYSA-N 2 0 279.428 1.180 10 30 CDEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001714334886 1179090084 /nfs/dbraw/zinc/09/00/84/1179090084.db2.gz FFBOBWKISXIDEJ-ZDUSSCGKSA-N 2 0 253.390 1.093 10 30 CDEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714444022 1179142361 /nfs/dbraw/zinc/14/23/61/1179142361.db2.gz KHFKQHFAQBGNPH-CABCVRRESA-N 2 0 281.444 1.636 10 30 CDEERP C=CCC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001714717085 1179355855 /nfs/dbraw/zinc/35/58/55/1179355855.db2.gz WLPPQAMWWMLJJS-ZDUSSCGKSA-N 2 0 255.406 1.197 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001714816867 1179410004 /nfs/dbraw/zinc/41/00/04/1179410004.db2.gz RUCZFGJPQZXYJK-DZGCQCFKSA-N 2 0 279.428 1.341 10 30 CDEERP C=CCC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001715648266 1179752666 /nfs/dbraw/zinc/75/26/66/1179752666.db2.gz ZIVYBZFFUUHCDW-CABCVRRESA-N 2 0 281.444 1.635 10 30 CDEERP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001716010097 1179982140 /nfs/dbraw/zinc/98/21/40/1179982140.db2.gz WVMUFWQBILAYIZ-LSDHHAIUSA-N 2 0 281.444 1.777 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716022159 1179998521 /nfs/dbraw/zinc/99/85/21/1179998521.db2.gz AYDMUDJRCCXAGS-OAHLLOKOSA-N 2 0 291.439 1.322 10 30 CDEERP CC#CC[N@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001716028628 1180001642 /nfs/dbraw/zinc/00/16/42/1180001642.db2.gz ZBIOMVVZXYXGKF-HUUCEWRRSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001716519923 1180263819 /nfs/dbraw/zinc/26/38/19/1180263819.db2.gz IEFJSIUIWKWHJB-CVEARBPZSA-N 2 0 293.455 1.616 10 30 CDEERP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001716852362 1180440584 /nfs/dbraw/zinc/44/05/84/1180440584.db2.gz DHQWSAFVJRAHQC-MRXNPFEDSA-N 2 0 279.428 1.629 10 30 CDEERP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2 ZINC001717000341 1180497334 /nfs/dbraw/zinc/49/73/34/1180497334.db2.gz MJUIHVIGUJZICW-MUJYYYPQSA-N 2 0 291.439 1.319 10 30 CDEERP C#CC[NH2+]CC1CC(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001717395261 1180645681 /nfs/dbraw/zinc/64/56/81/1180645681.db2.gz IOEAZYFBMQUSKX-UHFFFAOYSA-N 2 0 291.439 1.370 10 30 CDEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001717615686 1180759755 /nfs/dbraw/zinc/75/97/55/1180759755.db2.gz MRQQFRYNIWVOMX-GJZGRUSLSA-N 2 0 297.443 1.110 10 30 CDEERP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001717886990 1180913677 /nfs/dbraw/zinc/91/36/77/1180913677.db2.gz KAHBAIYETGXGFY-JKSUJKDBSA-N 2 0 293.455 1.923 10 30 CDEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001723297260 1181533110 /nfs/dbraw/zinc/53/31/10/1181533110.db2.gz FMPUBMRAZYPZSM-HZPDHXFCSA-N 2 0 291.439 1.367 10 30 CDEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001723875042 1181613788 /nfs/dbraw/zinc/61/37/88/1181613788.db2.gz KNNHSLNFKRIEPY-LSDHHAIUSA-N 2 0 279.428 1.319 10 30 CDEERP C=CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCCC1 ZINC001724095696 1181636417 /nfs/dbraw/zinc/63/64/17/1181636417.db2.gz PMGNKPOEXBSWJX-INIZCTEOSA-N 2 0 293.455 1.779 10 30 CDEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001724307111 1181661836 /nfs/dbraw/zinc/66/18/36/1181661836.db2.gz RVJMCLMXAHLAEN-OAHLLOKOSA-N 2 0 293.455 1.733 10 30 CDEERP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001724659301 1181716055 /nfs/dbraw/zinc/71/60/55/1181716055.db2.gz NCKNNWHOHNSPTE-JKSUJKDBSA-N 2 0 293.455 1.827 10 30 CDEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001724945000 1181802024 /nfs/dbraw/zinc/80/20/24/1181802024.db2.gz JREBHZNSSUTTHQ-JKSUJKDBSA-N 2 0 293.455 1.731 10 30 CDEERP CC#CC[NH2+]C[C@H](CCCC)NC(=O)C[NH+]1CCCC1 ZINC001725235764 1181930574 /nfs/dbraw/zinc/93/05/74/1181930574.db2.gz VMMQOPWNRZXIMR-HNNXBMFYSA-N 2 0 279.428 1.370 10 30 CDEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725406917 1181991645 /nfs/dbraw/zinc/99/16/45/1181991645.db2.gz FHEFFIYARNGMNC-HUUCEWRRSA-N 2 0 281.444 1.779 10 30 CDEERP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001725600513 1182068356 /nfs/dbraw/zinc/06/83/56/1182068356.db2.gz WRCVDCNSCCYNME-LSDHHAIUSA-N 2 0 279.428 1.321 10 30 CDEERP C#CCC[NH2+][C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001731604766 1182474915 /nfs/dbraw/zinc/47/49/15/1182474915.db2.gz WNMWQQPARXTLRF-GFCCVEGCSA-N 2 0 284.363 1.374 10 30 CDEERP C#CCC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001731791871 1182582066 /nfs/dbraw/zinc/58/20/66/1182582066.db2.gz MOSBNKUBBWFITK-GJZGRUSLSA-N 2 0 279.428 1.178 10 30 CDEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001732004699 1182721707 /nfs/dbraw/zinc/72/17/07/1182721707.db2.gz VLPAOURBIHFEAN-AWEZNQCLSA-N 2 0 281.444 1.729 10 30 CDEERP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001732076402 1182753621 /nfs/dbraw/zinc/75/36/21/1182753621.db2.gz NQZHXXNLNAVYNJ-OAHLLOKOSA-N 2 0 279.428 1.274 10 30 CDEERP C#CC[NH2+]Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001732318069 1182904255 /nfs/dbraw/zinc/90/42/55/1182904255.db2.gz CLCNSJFPJIAHEN-OAHLLOKOSA-N 2 0 299.418 1.367 10 30 CDEERP C=CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001732397622 1182944918 /nfs/dbraw/zinc/94/49/18/1182944918.db2.gz QTTMDYVIQGXTNK-UHFFFAOYSA-N 2 0 293.455 1.923 10 30 CDEERP C=C(C)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001732571266 1183015375 /nfs/dbraw/zinc/01/53/75/1183015375.db2.gz ARANMASVYNTVRV-LSDHHAIUSA-N 2 0 281.444 1.635 10 30 CDEERP C=CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001732706156 1183094330 /nfs/dbraw/zinc/09/43/30/1183094330.db2.gz LUTCQSSHERQOEW-AWEZNQCLSA-N 2 0 297.443 1.015 10 30 CDEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001733758796 1183521116 /nfs/dbraw/zinc/52/11/16/1183521116.db2.gz BSJIHZXUNLYUII-HNNXBMFYSA-N 2 0 291.439 1.465 10 30 CDEERP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001734054172 1183639223 /nfs/dbraw/zinc/63/92/23/1183639223.db2.gz RDCVAEWNDYIOLH-XJKSGUPXSA-N 2 0 299.434 1.821 10 30 CDEERP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001734153666 1183676560 /nfs/dbraw/zinc/67/65/60/1183676560.db2.gz JMYLKAMJUJGMPR-AWEZNQCLSA-N 2 0 281.444 1.731 10 30 CDEERP